Bromine in PDB 4qry: The Ground State and the N Intermediate of Pharaonis Halorhodopsin in Complex with Bromide Ion

The structure of The Ground State and the N Intermediate of Pharaonis Halorhodopsin in Complex with Bromide Ion, PDB code: 4qry was solved by T.Kouyama, H.Kawaguchi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 2.20
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	153.360, 98.300, 100.530, 90.00, 128.13, 90.00
R / Rfree (%)	21.4 / 24.3

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Bromine atom in the The Ground State and the N Intermediate of Pharaonis Halorhodopsin in Complex with Bromide Ion (pdb code 4qry). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 12 binding sites of Bromine where determined in the The Ground State and the N Intermediate of Pharaonis Halorhodopsin in Complex with Bromide Ion, PDB code: 4qry:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 12 in the The Ground State and the N Intermediate of Pharaonis Halorhodopsin in Complex with Bromide Ion


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of The Ground State and the N Intermediate of Pharaonis Halorhodopsin in Complex with Bromide Ion within 5.0Å range: probe atom residue distance (Å) B Occ A:Br302 b:30.8 occ:0.50 BR E:BR306 0.1 27.1 0.5 OG1 A:THR126 3.0 20.1 0.5 O A:HOH502 3.1 24.9 0.5 OG1 E:THR126 3.1 25.0 0.5 O E:HOH502 3.2 30.5 0.5 OG E:SER130 3.3 17.4 0.5 NZ E:LYS256 3.5 22.8 0.5 CE A:LYS256 3.5 22.2 0.5 CB A:THR126 3.5 22.9 0.5 CE E:LYS256 3.5 24.6 0.5 CB E:THR126 3.5 26.7 0.5 OG A:SER130 3.6 13.0 0.5 NZ A:LYS256 3.7 20.1 0.5 O A:THR126 3.7 23.1 0.5 C A:THR126 3.8 21.7 0.5 CB E:SER81 3.8 22.4 0.5 CD1 A:TRP127 3.9 20.9 0.5 CB E:SER130 3.9 16.1 0.5 CB A:SER81 3.9 21.2 0.5 C E:THR126 3.9 25.3 0.5 CD1 E:TRP127 3.9 24.3 0.5 O E:THR126 4.0 26.4 0.5 OG A:SER81 4.0 19.5 0.5 OG E:SER81 4.0 17.9 0.5 CB A:SER130 4.0 9.5 0.5 N A:TRP127 4.0 20.3 0.5 CA E:SER78 4.1 20.1 0.5 N E:TRP127 4.1 24.1 0.5 CG1 E:VAL77 4.1 21.7 0.5 CA A:SER78 4.2 16.1 0.5 CG1 A:VAL77 4.2 19.8 0.5 CA A:THR126 4.3 21.2 0.5 O E:HOH504 4.3 22.4 0.5 CA A:TRP127 4.3 18.0 0.5 N E:SER78 4.3 19.6 0.5 CA E:THR126 4.4 24.9 0.5 CA E:TRP127 4.5 21.8 0.5 O E:VAL77 4.5 18.9 0.5 N A:SER78 4.5 15.3 0.5 C E:VAL77 4.5 20.1 0.5 C15 E:RET305 4.5 23.1 0.5 O A:VAL77 4.6 14.8 0.5 NE1 A:TRP127 4.6 20.4 0.5 CB E:SER78 4.6 18.4 0.5 C A:VAL77 4.6 15.9 0.5 NE1 E:TRP127 4.7 24.6 0.5 CB A:SER78 4.7 13.8 0.5 O A:HOH503 4.7 8.0 0.5 CD A:LYS256 4.7 20.3 0.5 CG2 E:THR126 4.8 25.9 0.5 CD E:LYS256 4.8 23.0 0.5 OG A:SER78 4.8 13.8 0.5 CG2 A:THR126 4.8 22.2 0.5 O A:HOH504 4.8 8.0 0.5 C15 A:RET301 4.8 19.0 0.5 CB E:VAL77 4.8 20.2 0.5 OG E:SER78 4.8 18.3 0.5 O E:HOH503 4.9 8.0 0.5 CG A:TRP127 4.9 18.7 0.5 O E:ARG123 4.9 23.4 0.5 O A:ARG123 4.9 17.6 0.5 CB A:VAL77 5.0 17.2 0.5

Bromine binding site 2 out of 12 in the The Ground State and the N Intermediate of Pharaonis Halorhodopsin in Complex with Bromide Ion


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of The Ground State and the N Intermediate of Pharaonis Halorhodopsin in Complex with Bromide Ion within 5.0Å range: probe atom residue distance (Å) B Occ A:Br303 b:14.3 occ:0.50 BR F:BR304 0.5 58.7 0.5 ND2 E:ASN145 3.3 22.0 0.5 O F:HOH401 3.4 72.6 0.5 O E:HOH525 3.4 63.3 0.5 ND2 A:ASN145 3.4 20.2 0.5 O B:HOH401 3.5 70.7 0.5 CB F:PRO62 3.7 30.2 0.3 CB E:THR147 3.7 22.0 0.5 CG2 E:THR147 3.7 21.2 0.5 NZ F:LYS65 3.7 32.1 0.3 CA F:PRO62 3.7 29.9 0.3 CE F:LYS65 3.7 27.5 0.3 CD F:LYS65 3.8 26.6 0.3 CD B:LYS65 3.9 22.3 0.7 CB A:THR147 3.9 18.8 0.5 CE A:LYS148 3.9 22.1 0.5 CA B:PRO62 3.9 20.4 0.7 CG2 A:THR147 3.9 16.8 0.5 CE B:LYS65 4.0 24.8 0.7 CG B:PRO62 4.0 14.3 0.7 CB B:PRO62 4.0 18.5 0.7 CG A:LYS148 4.0 21.5 0.5 OD1 E:ASN145 4.1 26.4 0.5 CE E:LYS148 4.1 25.7 0.5 OD1 A:ASN145 4.1 24.2 0.5 CG E:ASN145 4.1 25.1 0.5 NZ B:LYS65 4.2 34.2 0.7 CG A:ASN145 4.2 22.9 0.5 OG1 E:THR147 4.2 22.0 0.5 CG E:LYS148 4.2 24.3 0.5 OG1 A:THR147 4.4 18.3 0.5 CB B:LYS65 4.4 18.0 0.7 CB F:LYS65 4.5 24.5 0.3 N F:PRO62 4.5 29.8 0.3 CD A:LYS148 4.6 24.6 0.5 N B:PRO62 4.7 19.7 0.7 CG B:LYS65 4.7 18.5 0.7 CG F:LYS65 4.7 24.9 0.3 O F:PRO62 4.8 28.7 0.3 C F:PRO62 4.8 28.8 0.3 O A:HOH524 4.8 53.7 0.5 O A:HOH523 4.8 64.6 0.5 CD F:PRO62 4.8 29.5 0.3 CG F:PRO62 4.8 30.6 0.3 O B:PRO62 4.8 19.9 0.7 CD E:LYS148 4.8 25.8 0.5 O E:HOH523 4.9 64.1 0.5 O E:HOH524 4.9 60.0 0.5 N A:LYS148 4.9 21.1 0.5 C B:PRO62 4.9 19.6 0.7 N E:LYS148 4.9 24.0 0.5 CD B:PRO62 4.9 16.7 0.7 CA E:THR147 5.0 23.1 0.5

Bromine binding site 3 out of 12 in the The Ground State and the N Intermediate of Pharaonis Halorhodopsin in Complex with Bromide Ion


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of The Ground State and the N Intermediate of Pharaonis Halorhodopsin in Complex with Bromide Ion within 5.0Å range: probe atom residue distance (Å) B Occ B:Br303 b:21.6 occ:0.65 CD1 F:ILE134 1.4 22.3 0.3 CG1 F:ILE134 2.0 21.8 0.3 O B:HOH457 3.2 13.8 0.7 OG B:SER130 3.3 12.3 0.7 CG1 F:VAL74 3.3 12.6 0.3 NZ B:LYS256 3.4 25.9 0.7 CB F:ILE134 3.4 21.9 0.3 O F:SER130 3.7 21.9 0.3 CG F:LYS256 3.7 26.0 0.3 C14 B:RET302 3.7 23.0 0.7 C15 B:RET302 3.7 22.4 0.7 O B:SER130 3.7 14.9 0.7 CB B:ILE134 3.8 17.1 0.7 C15 F:RET305 3.8 25.2 0.3 C B:SER130 3.8 15.7 0.7 CG2 B:ILE134 3.9 13.3 0.7 CB B:SER130 3.9 12.9 0.7 N B:THR131 3.9 16.5 0.7 CA B:THR131 3.9 17.4 0.7 CG1 B:VAL74 3.9 16.4 0.7 C F:SER130 4.0 23.4 0.3 CG2 B:THR131 4.0 17.7 0.7 CG2 F:VAL74 4.1 14.6 0.3 CE F:LYS256 4.1 27.1 0.3 CE B:LYS256 4.1 25.2 0.7 CG2 B:VAL74 4.1 19.8 0.7 CA F:THR131 4.1 23.7 0.3 C20 F:RET305 4.2 25.4 0.3 CD B:LYS256 4.2 27.4 0.7 N F:THR131 4.2 23.0 0.3 CG2 F:ILE134 4.2 18.8 0.3 OG F:SER130 4.3 24.8 0.3 CB F:VAL74 4.3 16.4 0.3 CB F:SER130 4.3 24.2 0.3 O F:ALA255 4.4 29.6 0.3 NZ F:LYS256 4.4 25.1 0.3 CG1 B:ILE134 4.4 16.6 0.7 CA F:ILE134 4.4 22.6 0.3 CD F:LYS256 4.5 26.1 0.3 CA B:SER130 4.5 15.3 0.7 CB B:THR131 4.6 16.0 0.7 N F:ILE134 4.6 22.4 0.3 C14 F:RET305 4.6 23.6 0.3 C13 B:RET302 4.6 22.0 0.7 CB B:VAL74 4.7 18.7 0.7 CG2 F:THR131 4.7 24.6 0.3 O B:ALA255 4.8 24.2 0.7 CB F:LYS256 4.8 27.2 0.3 CA F:SER130 4.8 24.0 0.3 C13 F:RET305 4.8 23.4 0.3 CA F:LYS256 4.9 28.5 0.3 CD1 B:ILE134 4.9 19.5 0.7 N B:ILE134 4.9 15.7 0.7 C B:ALA255 5.0 22.4 0.7 CA B:ILE134 5.0 16.0 0.7

Bromine binding site 4 out of 12 in the The Ground State and the N Intermediate of Pharaonis Halorhodopsin in Complex with Bromide Ion


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of The Ground State and the N Intermediate of Pharaonis Halorhodopsin in Complex with Bromide Ion within 5.0Å range: probe atom residue distance (Å) B Occ B:Br304 b:35.5 occ:0.65 BR F:BR307 0.6 51.8 0.3 CE G:LYS65 3.3 37.1 0.5 O C:HOH404 3.3 38.3 0.7 NZ G:LYS65 3.4 41.6 0.5 ND2 B:ASN145 3.6 25.6 0.7 CA G:PRO62 3.6 32.1 0.5 CG2 F:THR147 3.8 27.4 0.3 ND2 F:ASN145 3.8 31.0 0.3 CB C:PRO62 3.9 26.4 0.5 CA C:PRO62 3.9 25.4 0.5 CB G:PRO62 3.9 30.9 0.5 CB B:THR147 4.0 25.9 0.7 CG2 B:THR147 4.0 25.1 0.7 CB F:THR147 4.0 27.7 0.3 CD C:LYS65 4.0 16.4 0.5 CE C:LYS65 4.0 14.3 0.5 CE B:LYS148 4.0 26.6 0.7 CD G:LYS65 4.0 35.6 0.5 CE F:LYS148 4.1 31.1 0.3 CG B:LYS148 4.2 24.0 0.7 CB G:LYS65 4.2 31.1 0.5 CG F:LYS148 4.3 29.3 0.3 OD1 B:ASN145 4.3 25.6 0.7 N G:PRO62 4.4 32.6 0.5 CG B:ASN145 4.4 25.0 0.7 O G:PRO62 4.5 30.2 0.5 OD1 F:ASN145 4.5 30.7 0.3 OG1 B:THR147 4.5 26.0 0.7 C G:PRO62 4.6 31.5 0.5 OG1 F:THR147 4.6 27.4 0.3 CG F:ASN145 4.6 30.1 0.3 N C:PRO62 4.6 26.2 0.5 CD B:LYS148 4.7 26.9 0.7 CG G:LYS65 4.7 33.3 0.5 CB C:LYS65 4.8 18.4 0.5 CD F:LYS148 4.9 31.1 0.3 O G:ASP60 4.9 38.5 0.5 O C:PRO62 4.9 20.8 0.5 CD G:PRO62 4.9 30.4 0.5 C C:PRO62 4.9 24.1 0.5 CG C:LYS65 5.0 15.9 0.5 C G:ASP61 5.0 33.2 0.5

Bromine binding site 5 out of 12 in the The Ground State and the N Intermediate of Pharaonis Halorhodopsin in Complex with Bromide Ion


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of The Ground State and the N Intermediate of Pharaonis Halorhodopsin in Complex with Bromide Ion within 5.0Å range: probe atom residue distance (Å) B Occ C:Br302 b:32.5 occ:0.50 CD1 G:ILE134 1.8 19.1 0.5 CG1 G:ILE134 2.3 17.8 0.5 O C:HOH443 3.0 25.6 0.0 OG C:SER130 3.2 22.6 0.5 CG1 G:VAL74 3.4 21.9 0.5 C15 G:RET302 3.5 26.5 0.5 CG G:LYS256 3.6 27.6 0.5 NZ C:LYS256 3.6 24.1 0.5 CB G:ILE134 3.7 20.2 0.5 CB C:ILE134 3.7 23.9 0.5 C14 C:RET301 3.7 22.0 0.5 CG1 C:VAL74 3.7 21.4 0.5 O G:SER130 3.8 25.7 0.5 CE G:LYS256 3.9 28.7 0.5 CG2 C:ILE134 3.9 23.2 0.5 C G:SER130 3.9 25.9 0.5 C C:SER130 3.9 23.7 0.5 N C:THR131 3.9 23.1 0.5 O C:SER130 4.0 23.4 0.5 CA C:THR131 4.0 24.2 0.5 C20 G:RET302 4.0 26.8 0.5 N G:THR131 4.0 24.4 0.5 C15 C:RET301 4.0 22.5 0.5 CA G:THR131 4.0 25.1 0.5 CB C:SER130 4.0 22.4 0.5 NZ G:LYS256 4.1 26.6 0.5 CG2 G:VAL74 4.1 22.6 0.5 CB G:SER130 4.1 26.2 0.5 CG1 C:ILE134 4.1 24.3 0.5 CG C:LYS256 4.2 28.8 0.5 CG2 C:VAL74 4.2 21.3 0.5 CG2 C:THR131 4.2 23.1 0.5 OG G:SER130 4.3 26.9 0.5 CD G:LYS256 4.3 29.3 0.5 CB G:VAL74 4.3 23.0 0.5 C14 G:RET302 4.4 26.4 0.5 O G:ALA255 4.4 24.2 0.5 CE C:LYS256 4.5 26.7 0.5 CG2 G:ILE134 4.6 18.0 0.5 C13 C:RET301 4.6 23.2 0.5 CG2 G:THR131 4.6 23.4 0.5 C13 G:RET302 4.6 26.5 0.5 CA G:SER130 4.6 25.6 0.5 CA C:SER130 4.6 22.8 0.5 CB C:VAL74 4.7 21.1 0.5 O C:ALA255 4.7 26.2 0.5 CA G:ILE134 4.7 20.7 0.5 CB C:THR131 4.7 24.8 0.5 CB G:LYS256 4.7 27.0 0.5 N G:ILE134 4.8 22.5 0.5 C20 C:RET301 4.8 22.5 0.5 CA G:LYS256 4.9 25.6 0.5 CB G:THR131 4.9 25.2 0.5 CA C:ILE134 5.0 22.6 0.5

Bromine binding site 6 out of 12 in the The Ground State and the N Intermediate of Pharaonis Halorhodopsin in Complex with Bromide Ion


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of The Ground State and the N Intermediate of Pharaonis Halorhodopsin in Complex with Bromide Ion within 5.0Å range: probe atom residue distance (Å) B Occ C:Br303 b:18.1 occ:0.50 BR G:BR304 0.4 78.6 0.5 NZ G:LYS148 3.4 27.4 0.5 ND2 C:ASN145 3.5 14.0 0.5 OD1 G:ASN145 3.5 19.0 0.5 NZ A:LYS65 3.6 31.0 0.5 NZ E:LYS65 3.6 33.8 0.5 CD E:LYS65 3.7 28.2 0.5 CA A:PRO62 3.8 23.5 0.5 CB C:THR147 3.8 15.1 0.5 CB A:PRO62 3.8 22.6 0.5 CE G:LYS148 3.8 25.7 0.5 CD A:LYS65 3.9 24.8 0.5 CE E:LYS65 3.9 30.7 0.5 CG2 C:THR147 3.9 15.7 0.5 CA E:PRO62 4.0 26.0 0.5 CG2 G:THR147 4.0 22.2 0.5 CG G:LYS148 4.0 23.3 0.5 CE A:LYS65 4.0 26.4 0.5 CB E:PRO62 4.0 24.6 0.5 CB G:THR147 4.1 22.1 0.5 OD1 C:ASN145 4.2 10.6 0.5 CE C:LYS148 4.3 8.1 0.5 CG C:LYS148 4.3 11.8 0.5 CG C:ASN145 4.3 14.9 0.5 OG1 C:THR147 4.3 15.8 0.5 CG G:ASN145 4.4 19.8 0.5 ND2 G:ASN145 4.4 17.3 0.5 CB E:LYS65 4.5 23.3 0.5 N A:PRO62 4.5 24.0 0.5 CB A:LYS65 4.5 18.3 0.5 CD G:LYS148 4.6 27.1 0.5 CG E:LYS65 4.7 25.1 0.5 N E:PRO62 4.7 26.6 0.5 OG1 G:THR147 4.8 24.3 0.5 CG A:LYS65 4.8 20.6 0.5 O C:HOH420 4.8 48.0 0.5 O A:PRO62 4.8 23.6 0.5 C A:PRO62 4.8 22.8 0.5 N C:LYS148 4.9 17.9 0.5 CD A:PRO62 4.9 23.0 0.5 CD C:LYS148 4.9 8.6 0.5 CG A:PRO62 4.9 24.6 0.5 O E:PRO62 4.9 24.4 0.5 N G:LYS148 4.9 23.4 0.5

Bromine binding site 7 out of 12 in the The Ground State and the N Intermediate of Pharaonis Halorhodopsin in Complex with Bromide Ion


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of The Ground State and the N Intermediate of Pharaonis Halorhodopsin in Complex with Bromide Ion within 5.0Å range: probe atom residue distance (Å) B Occ E:Br306 b:27.1 occ:0.50 BR A:BR302 0.1 30.8 0.5 OG1 A:THR126 3.0 20.1 0.5 OG1 E:THR126 3.1 25.0 0.5 O A:HOH502 3.1 24.9 0.5 O E:HOH502 3.2 30.5 0.5 OG E:SER130 3.3 17.4 0.5 CB A:THR126 3.5 22.9 0.5 NZ E:LYS256 3.5 22.8 0.5 CE A:LYS256 3.5 22.2 0.5 CB E:THR126 3.5 26.7 0.5 CE E:LYS256 3.6 24.6 0.5 OG A:SER130 3.6 13.0 0.5 O A:THR126 3.6 23.1 0.5 NZ A:LYS256 3.7 20.1 0.5 C A:THR126 3.7 21.7 0.5 CB E:SER130 3.8 16.1 0.5 CB E:SER81 3.8 22.4 0.5 CB A:SER81 3.9 21.2 0.5 C E:THR126 3.9 25.3 0.5 O E:THR126 3.9 26.4 0.5 CD1 A:TRP127 3.9 20.9 0.5 CB A:SER130 3.9 9.5 0.5 CD1 E:TRP127 4.0 24.3 0.5 OG A:SER81 4.0 19.5 0.5 OG E:SER81 4.0 17.9 0.5 N A:TRP127 4.0 20.3 0.5 CG1 E:VAL77 4.0 21.7 0.5 CA E:SER78 4.1 20.1 0.5 N E:TRP127 4.1 24.1 0.5 CG1 A:VAL77 4.1 19.8 0.5 CA A:SER78 4.2 16.1 0.5 CA A:THR126 4.3 21.2 0.5 N E:SER78 4.3 19.6 0.5 CA A:TRP127 4.3 18.0 0.5 CA E:THR126 4.4 24.9 0.5 O E:HOH504 4.4 22.4 0.5 O E:VAL77 4.4 18.9 0.5 N A:SER78 4.4 15.3 0.5 C E:VAL77 4.4 20.1 0.5 CA E:TRP127 4.5 21.8 0.5 O A:VAL77 4.5 14.8 0.5 C A:VAL77 4.6 15.9 0.5 C15 E:RET305 4.6 23.1 0.5 CB E:SER78 4.6 18.4 0.5 NE1 A:TRP127 4.7 20.4 0.5 CB A:SER78 4.7 13.8 0.5 CB E:VAL77 4.7 20.2 0.5 CG2 E:THR126 4.7 25.9 0.5 NE1 E:TRP127 4.7 24.6 0.5 CG2 A:THR126 4.7 22.2 0.5 CD A:LYS256 4.8 20.3 0.5 CD E:LYS256 4.8 23.0 0.5 OG A:SER78 4.8 13.8 0.5 OG E:SER78 4.8 18.3 0.5 O A:HOH503 4.8 8.0 0.5 C15 A:RET301 4.8 19.0 0.5 O A:HOH504 4.9 8.0 0.5 CB A:VAL77 4.9 17.2 0.5 O E:ARG123 5.0 23.4 0.5 CG A:TRP127 5.0 18.7 0.5 O E:HOH503 5.0 8.0 0.5

Bromine binding site 8 out of 12 in the The Ground State and the N Intermediate of Pharaonis Halorhodopsin in Complex with Bromide Ion


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of The Ground State and the N Intermediate of Pharaonis Halorhodopsin in Complex with Bromide Ion within 5.0Å range: probe atom residue distance (Å) B Occ F:Br304 b:58.7 occ:0.50 BR A:BR303 0.5 14.3 0.5 O F:HOH401 3.0 72.6 0.5 O B:HOH401 3.1 70.7 0.5 NZ F:LYS65 3.2 32.1 0.3 CE F:LYS65 3.3 27.5 0.3 O E:HOH525 3.4 63.3 0.5 CD F:LYS65 3.5 26.6 0.3 CD B:LYS65 3.6 22.3 0.7 CE B:LYS65 3.6 24.8 0.7 NZ B:LYS65 3.7 34.2 0.7 ND2 E:ASN145 3.7 22.0 0.5 ND2 A:ASN145 3.8 20.2 0.5 CE A:LYS148 3.8 22.1 0.5 CA F:PRO62 4.0 29.9 0.3 CE E:LYS148 4.0 25.7 0.5 CB F:PRO62 4.0 30.2 0.3 CG2 E:THR147 4.0 21.2 0.5 CG A:LYS148 4.1 21.5 0.5 CB E:THR147 4.1 22.0 0.5 CA B:PRO62 4.2 20.4 0.7 CG B:PRO62 4.2 14.3 0.7 CG2 A:THR147 4.3 16.8 0.5 O A:HOH523 4.3 64.6 0.5 CG E:LYS148 4.3 24.3 0.5 CB A:THR147 4.3 18.8 0.5 CB B:PRO62 4.4 18.5 0.7 O E:HOH523 4.4 64.1 0.5 CB F:LYS65 4.4 24.5 0.3 CB B:LYS65 4.4 18.0 0.7 OD1 E:ASN145 4.5 26.4 0.5 CG B:LYS65 4.6 18.5 0.7 CG F:LYS65 4.6 24.9 0.3 CG E:ASN145 4.6 25.1 0.5 OD1 A:ASN145 4.6 24.2 0.5 O A:HOH524 4.6 53.7 0.5 N F:PRO62 4.6 29.8 0.3 CD A:LYS148 4.6 24.6 0.5 CG A:ASN145 4.7 22.9 0.5 OG1 E:THR147 4.7 22.0 0.5 O E:HOH524 4.8 60.0 0.5 CD E:LYS148 4.8 25.8 0.5 N B:PRO62 4.8 19.7 0.7 O F:ASP60 4.8 31.5 0.3 OG1 A:THR147 4.9 18.3 0.5 CD F:PRO62 4.9 29.5 0.3

Bromine binding site 9 out of 12 in the The Ground State and the N Intermediate of Pharaonis Halorhodopsin in Complex with Bromide Ion


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of The Ground State and the N Intermediate of Pharaonis Halorhodopsin in Complex with Bromide Ion within 5.0Å range: probe atom residue distance (Å) B Occ F:Br306 b:26.6 occ:0.35 CG2 B:THR126 1.1 16.7 0.7 CB B:THR126 2.0 16.8 0.7 CA B:THR126 2.3 13.6 0.7 C B:THR126 2.4 13.5 0.7 O B:THR126 2.4 11.8 0.7 OG1 B:THR126 3.1 16.8 0.7 OG1 F:THR126 3.2 21.9 0.3 N B:TRP127 3.3 14.1 0.7 O F:HOH406 3.4 42.3 0.3 OG F:SER130 3.4 24.8 0.3 NZ F:LYS256 3.5 25.1 0.3 CE F:LYS256 3.6 27.1 0.3 CB F:THR126 3.7 23.4 0.3 CB F:SER130 3.7 24.2 0.3 N B:THR126 3.8 14.9 0.7 O F:THR126 3.8 24.6 0.3 CB F:SER81 3.8 20.3 0.3 OG B:SER130 3.8 12.3 0.7 CD1 F:TRP127 3.9 26.3 0.3 OG F:SER81 3.9 18.7 0.3 C F:THR126 3.9 25.0 0.3 CG1 F:VAL77 4.0 20.9 0.3 CA F:SER78 4.0 20.9 0.3 CE B:LYS256 4.0 25.2 0.7 CG1 B:VAL77 4.1 16.6 0.7 CB B:SER130 4.1 12.9 0.7 CA B:TRP127 4.2 14.6 0.7 N F:TRP127 4.3 24.6 0.3 N F:SER78 4.3 21.2 0.3 CD B:LYS256 4.4 27.4 0.7 O F:VAL77 4.4 21.5 0.3 CB B:SER81 4.5 16.5 0.7 O F:HOH408 4.5 31.7 0.3 CD1 B:TRP127 4.5 10.9 0.7 CA F:THR126 4.5 25.0 0.3 C15 F:RET305 4.5 25.2 0.3 C F:VAL77 4.5 21.6 0.3 CA F:TRP127 4.5 25.2 0.3 O B:VAL77 4.5 16.2 0.7 CA B:SER78 4.6 16.7 0.7 NE1 F:TRP127 4.6 26.5 0.3 CB F:SER78 4.6 20.9 0.3 O B:HOH406 4.6 13.5 0.7 OG B:SER81 4.6 19.0 0.7 C B:LEU125 4.7 17.9 0.7 O B:LEU125 4.7 15.0 0.7 C B:VAL77 4.8 16.6 0.7 N B:SER78 4.8 15.5 0.7 O F:HOH407 4.8 15.8 0.3 CB F:VAL77 4.9 20.6 0.3 CB B:SER78 4.9 15.7 0.7 OG B:SER78 4.9 15.8 0.7 CG2 F:THR126 4.9 24.1 0.3 N B:SER130 4.9 16.4 0.7 O B:ARG123 4.9 14.0 0.7 CD F:LYS256 5.0 26.1 0.3 O F:ARG123 5.0 30.1 0.3

Bromine binding site 10 out of 12 in the The Ground State and the N Intermediate of Pharaonis Halorhodopsin in Complex with Bromide Ion


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of The Ground State and the N Intermediate of Pharaonis Halorhodopsin in Complex with Bromide Ion within 5.0Å range: probe atom residue distance (Å) B Occ F:Br307 b:51.8 occ:0.35 BR B:BR304 0.6 35.5 0.7 ND2 B:ASN145 3.1 25.6 0.7 ND2 F:ASN145 3.3 31.0 0.3 O C:HOH404 3.5 38.3 0.7 CE B:LYS148 3.6 26.6 0.7 CE F:LYS148 3.6 31.1 0.3 CA G:PRO62 3.8 32.1 0.5 NZ G:LYS65 3.8 41.6 0.5 CE G:LYS65 3.8 37.1 0.5 OD1 B:ASN145 3.8 25.6 0.7 CG B:LYS148 3.8 24.0 0.7 CG F:LYS148 3.8 29.3 0.3 CB G:PRO62 3.9 30.9 0.5 CG B:ASN145 3.9 25.0 0.7 CB C:PRO62 3.9 26.4 0.5 CB F:THR147 4.0 27.7 0.3 CG2 F:THR147 4.0 27.4 0.3 CB B:THR147 4.0 25.9 0.7 OD1 F:ASN145 4.1 30.7 0.3 CG F:ASN145 4.1 30.1 0.3 CA C:PRO62 4.2 25.4 0.5 CG2 B:THR147 4.2 25.1 0.7 CD B:LYS148 4.3 26.9 0.7 CD F:LYS148 4.3 31.1 0.3 CE C:LYS65 4.5 14.3 0.5 CD C:LYS65 4.6 16.4 0.5 CD G:LYS65 4.6 35.6 0.5 N G:PRO62 4.6 32.6 0.5 OG1 B:THR147 4.7 26.0 0.7 NZ B:LYS148 4.7 30.4 0.7 OG1 F:THR147 4.7 27.4 0.3 O G:PRO62 4.8 30.2 0.5 NZ F:LYS148 4.8 32.4 0.3 CB G:LYS65 4.8 31.1 0.5 C G:PRO62 4.8 31.5 0.5 N B:LYS148 4.8 25.4 0.7 N F:LYS148 4.9 27.9 0.3 N C:PRO62 5.0 26.2 0.5

T.Kouyama, H.Kawaguchi, T.Nakanishi, H.Kubo, M.Murakami. Crystal Structures of the L1, L2, N, and O States of Pharaonis Halorhodopsin Biophys.J. V. 108 2680 2015.
ISSN: ISSN 0006-3495
PubMed: 26039169
DOI: 10.1016/J.BPJ.2015.04.027