Bromine in PDB 6ez1: Structure of H. Salinarum Rosr (VNG0258) Grown From Nabr

The structure of Structure of H. Salinarum Rosr (VNG0258) Grown From Nabr, PDB code: 6ez1 was solved by B.Shaanan, N.Kutnowski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.28 / 1.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	40.884, 71.139, 41.719, 90.00, 110.33, 90.00
R / Rfree (%)	17 / 20.9

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>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 35;

Binding sites:

The binding sites of Bromine atom in the Structure of H. Salinarum Rosr (VNG0258) Grown From Nabr (pdb code 6ez1). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 35 binding sites of Bromine where determined in the Structure of H. Salinarum Rosr (VNG0258) Grown From Nabr, PDB code: 6ez1:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 35 in the Structure of H. Salinarum Rosr (VNG0258) Grown From Nabr


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of H. Salinarum Rosr (VNG0258) Grown From Nabr within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:35.3 occ:1.00 O A:HOH383 2.5 28.7 1.0 HE A:ARG108 2.5 36.9 1.0 HD3 A:ARG105 2.9 13.7 1.0 HH21 A:ARG108 3.1 36.1 1.0 HB3 A:ASP104 3.2 20.0 1.0 HA A:ARG105 3.3 13.4 1.0 NE A:ARG108 3.4 30.7 1.0 HZ B:PHE85 3.4 21.1 1.0 HB2 A:ARG108 3.7 14.7 1.0 HE A:ARG105 3.7 21.7 1.0 O A:ASP104 3.7 11.4 1.0 CD A:ARG105 3.8 11.4 1.0 NH2 A:ARG108 3.8 30.1 1.0 C A:ASP104 3.8 13.4 1.0 HG2 A:ARG105 3.9 11.2 1.0 N A:ARG105 3.9 11.0 1.0 O A:HOH351 4.0 37.1 1.0 CZ A:ARG108 4.0 41.7 1.0 CB A:ASP104 4.0 16.7 1.0 CA A:ARG105 4.1 11.1 1.0 O A:HOH359 4.1 31.1 1.0 HB2 A:ASP104 4.1 20.0 1.0 NE A:ARG105 4.2 18.1 1.0 CZ B:PHE85 4.2 17.5 1.0 HD2 A:ARG108 4.3 30.3 1.0 HB3 A:ARG108 4.3 14.7 1.0 CG A:ARG105 4.3 9.4 1.0 H A:ARG105 4.3 13.2 1.0 CD A:ARG108 4.4 25.2 1.0 CB A:ARG108 4.4 12.2 1.0 HD2 A:ARG105 4.5 13.7 1.0 HH22 A:ARG108 4.5 36.1 1.0 CA A:ASP104 4.6 13.2 1.0 HZ A:PHE99 4.7 20.6 1.0 CB A:ARG105 4.8 9.9 1.0 HE1 B:PHE85 4.8 30.7 1.0 HE2 B:PHE85 5.0 29.2 1.0 CG A:ARG108 5.0 14.3 1.0 CE1 B:PHE85 5.0 25.6 1.0

Bromine binding site 2 out of 35 in the Structure of H. Salinarum Rosr (VNG0258) Grown From Nabr


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structure of H. Salinarum Rosr (VNG0258) Grown From Nabr within 5.0Å range: probe atom residue distance (Å) B Occ A:Br202 b:19.9 occ:0.62 HZ2 A:LYS20 2.5 52.7 1.0 HD3 A:LYS20 3.0 20.0 1.0 HE2 A:LYS20 3.1 32.7 1.0 HA A:ALA17 3.1 15.7 1.0 HD2 B:LYS20 3.1 18.7 1.0 HA B:ALA17 3.2 10.2 1.0 NZ A:LYS20 3.2 43.9 1.0 CE A:LYS20 3.5 27.3 1.0 HZ3 A:LYS20 3.5 52.7 1.0 HB2 B:ALA17 3.5 10.8 1.0 HB2 A:ALA17 3.6 13.5 1.0 HB1 A:ALA17 3.7 13.5 1.0 HB1 B:ALA17 3.7 10.8 1.0 CD A:LYS20 3.7 16.7 1.0 HB2 A:LYS20 3.8 10.7 1.0 HB2 B:LYS20 3.9 10.9 1.0 CB B:ALA17 3.9 9.0 1.0 CB A:ALA17 3.9 11.2 1.0 HZ1 A:LYS20 3.9 52.7 1.0 CA A:ALA17 3.9 13.1 1.0 CA B:ALA17 4.0 8.5 1.0 CD B:LYS20 4.0 15.6 1.0 HD3 B:LYS20 4.1 18.7 1.0 HD2 A:LYS20 4.4 20.0 1.0 HB3 B:LYS20 4.4 10.9 1.0 HE3 A:LYS20 4.4 32.7 1.0 HB3 A:LYS20 4.4 10.7 1.0 CB A:LYS20 4.5 8.9 1.0 CB B:LYS20 4.5 9.1 1.0 HZ2 B:LYS20 4.5 37.8 1.0 O B:HOH320 4.6 33.7 1.0 CG A:LYS20 4.7 9.6 1.0 CG B:LYS20 4.8 11.1 1.0 N A:ALA17 4.8 10.8 1.0 N B:ALA17 4.8 9.5 1.0 HB3 B:ALA17 4.9 10.8 1.0 O A:ALA17 4.9 9.8 1.0 HB3 A:ALA17 4.9 13.5 1.0 O B:ALA17 4.9 9.0 1.0 HG3 B:LYS20 4.9 13.3 1.0 C A:ALA17 4.9 8.7 1.0 O A:HOH316 5.0 21.4 1.0 C B:ALA17 5.0 8.5 1.0 O A:HOH324 5.0 26.9 1.0

Bromine binding site 3 out of 35 in the Structure of H. Salinarum Rosr (VNG0258) Grown From Nabr


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Structure of H. Salinarum Rosr (VNG0258) Grown From Nabr within 5.0Å range: probe atom residue distance (Å) B Occ A:Br203 b:37.0 occ:1.00 HH12 A:ARG38 2.6 20.0 1.0 HH22 A:ARG38 2.7 24.4 1.0 HD2 A:TYR32 3.0 47.9 1.0 HD23 A:LEU34 3.1 21.2 1.0 HB3 A:LEU34 3.1 17.0 1.0 NH1 A:ARG38 3.4 16.7 1.0 NH2 A:ARG38 3.4 20.3 1.0 HB2 A:ALA35 3.7 14.4 1.0 HB2 A:TYR32 3.7 16.9 1.0 CZ A:ARG38 3.9 16.4 1.0 HG A:LEU34 3.9 13.3 1.0 CD2 A:TYR32 3.9 39.9 1.0 CD2 A:LEU34 4.0 17.6 1.0 H A:ALA35 4.0 18.5 1.0 CB A:LEU34 4.0 14.2 1.0 HH11 A:ARG38 4.1 20.0 1.0 HH21 A:ARG38 4.1 24.4 1.0 CG A:LEU34 4.2 11.1 1.0 N A:ALA35 4.2 15.4 1.0 HD21 A:LEU34 4.5 21.2 1.0 CB A:TYR32 4.5 14.1 1.0 HA A:ALA35 4.5 12.8 1.0 HD22 A:LEU34 4.5 21.2 1.0 CB A:ALA35 4.6 12.0 1.0 HB3 A:TYR32 4.6 16.9 1.0 HB2 A:LEU34 4.6 17.0 1.0 C A:LEU34 4.6 11.4 1.0 CA A:ALA35 4.7 10.7 1.0 HE2 A:TYR32 4.7 42.8 1.0 CG A:TYR32 4.7 24.8 1.0 CE2 A:TYR32 4.8 35.6 1.0 CA A:LEU34 4.9 13.0 1.0 HB3 A:ALA35 5.0 14.4 1.0

Bromine binding site 4 out of 35 in the Structure of H. Salinarum Rosr (VNG0258) Grown From Nabr


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Structure of H. Salinarum Rosr (VNG0258) Grown From Nabr within 5.0Å range: probe atom residue distance (Å) B Occ A:Br204 b:27.6 occ:0.58 BR A:BR204 0.0 27.6 0.6 BR A:BR204 1.7 47.7 0.4 H A:LEU34 2.7 13.8 1.0 HB3 A:TYR32 2.8 16.9 1.0 H A:ASN76 3.0 42.6 1.0 HA A:THR75 3.0 77.1 1.0 H A:GLY33 3.1 19.4 1.0 HG23 A:THR75 3.4 63.8 1.0 N A:LEU34 3.5 11.5 1.0 N A:GLY33 3.5 16.1 1.0 HB2 A:LEU34 3.7 17.0 1.0 HH A:TYR54 3.7 50.3 1.0 N A:ASN76 3.7 35.5 1.0 CB A:TYR32 3.7 14.1 1.0 O A:ASN76 3.8 30.3 1.0 HA3 A:GLY33 3.8 14.8 1.0 O A:ARG74 3.9 86.2 1.0 HB3 A:LEU34 3.9 17.0 1.0 CA A:THR75 3.9 64.3 1.0 CA A:GLY33 4.1 12.3 1.0 HB2 A:TYR32 4.1 16.9 1.0 CB A:LEU34 4.1 14.2 1.0 C A:TYR32 4.2 13.0 1.0 C A:GLY33 4.3 10.2 1.0 CG2 A:THR75 4.3 53.1 1.0 OH A:TYR54 4.3 41.9 1.0 C A:THR75 4.3 38.3 1.0 HA A:TYR32 4.4 16.8 1.0 CA A:TYR32 4.4 14.0 1.0 CA A:LEU34 4.5 13.0 1.0 CB A:THR75 4.6 42.8 1.0 CG A:TYR32 4.6 24.8 1.0 HB2 A:ASN76 4.6 38.0 1.0 C A:ASN76 4.6 30.5 1.0 CA A:ASN76 4.7 32.7 1.0 HG22 A:THR75 4.7 63.8 1.0 C A:ARG74 4.8 61.2 1.0 OG1 A:THR75 4.8 46.0 1.0 N A:THR75 4.8 65.5 1.0 H A:ALA35 4.9 18.5 1.0 HG21 A:THR75 5.0 63.8 1.0 HA2 A:GLY33 5.0 14.8 1.0

Bromine binding site 5 out of 35 in the Structure of H. Salinarum Rosr (VNG0258) Grown From Nabr


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Structure of H. Salinarum Rosr (VNG0258) Grown From Nabr within 5.0Å range: probe atom residue distance (Å) B Occ A:Br204 b:47.7 occ:0.42 BR A:BR204 0.0 47.7 0.4 BR A:BR204 1.7 27.6 0.6 HH A:TYR54 2.6 50.3 1.0 H A:ASN76 2.6 42.6 1.0 HA3 A:GLY33 3.2 14.8 1.0 H A:GLY33 3.2 19.4 1.0 HA A:THR75 3.3 77.1 1.0 OH A:TYR54 3.3 41.9 1.0 H A:LEU34 3.3 13.8 1.0 O A:ARG74 3.4 86.2 1.0 N A:ASN76 3.5 35.5 1.0 HB2 A:ASN76 3.6 38.0 1.0 N A:GLY33 3.8 16.1 1.0 HE1 A:TYR54 3.8 58.4 1.0 CA A:GLY33 3.9 12.3 1.0 O A:ASN76 4.0 30.3 1.0 N A:LEU34 4.0 11.5 1.0 CA A:THR75 4.1 64.3 1.0 HB3 A:TYR32 4.2 16.9 1.0 HE1 A:TYR78 4.2 22.4 1.0 CZ A:TYR54 4.2 40.9 1.0 C A:THR75 4.3 38.3 1.0 CB A:ASN76 4.3 31.6 1.0 CA A:ASN76 4.3 32.7 1.0 CE1 A:TYR54 4.4 48.7 1.0 HB2 A:LEU34 4.4 17.0 1.0 C A:ARG74 4.4 61.2 1.0 C A:GLY33 4.4 10.2 1.0 HD22 A:ASN76 4.4 79.2 1.0 HG23 A:THR75 4.6 63.8 1.0 C A:ASN76 4.6 30.5 1.0 N A:THR75 4.7 65.5 1.0 HA2 A:GLY33 4.7 14.8 1.0 ND2 A:ASN76 4.8 66.0 1.0 CG A:ASN76 4.8 34.2 1.0 C A:TYR32 4.9 13.0 1.0

Bromine binding site 6 out of 35 in the Structure of H. Salinarum Rosr (VNG0258) Grown From Nabr


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Structure of H. Salinarum Rosr (VNG0258) Grown From Nabr within 5.0Å range: probe atom residue distance (Å) B Occ A:Br205 b:24.5 occ:0.67 H A:PHE18 2.7 9.9 1.0 HB3 A:ALA17 3.1 13.5 1.0 HB A:THR16 3.1 14.3 1.0 HB2 A:PHE18 3.1 13.0 1.0 HH22 A:ARG52 3.2 50.0 1.0 HH21 A:ARG52 3.2 50.0 1.0 BR A:BR217 3.3 22.6 0.4 O A:HOH319 3.3 14.9 1.0 H A:ALA17 3.4 12.9 1.0 O B:HOH352 3.5 33.5 1.0 N A:PHE18 3.5 8.2 1.0 NH2 A:ARG52 3.5 41.6 1.0 HB3 A:PHE18 3.8 13.0 1.0 CB A:PHE18 3.8 10.8 1.0 N A:ALA17 3.8 10.8 1.0 CB A:ALA17 3.9 11.2 1.0 CB A:THR16 4.0 11.9 1.0 HA B:THR16 4.2 11.8 1.0 CA A:ALA17 4.2 13.1 1.0 CA A:PHE18 4.3 8.6 1.0 C A:ALA17 4.3 8.7 1.0 HB2 A:ALA17 4.3 13.5 1.0 HG1 A:THR16 4.4 14.5 1.0 O A:HOH368 4.4 39.9 1.0 OG1 A:THR16 4.4 12.1 1.0 HB1 A:ALA17 4.6 13.5 1.0 C A:THR16 4.6 7.5 1.0 HA A:PHE18 4.7 10.4 1.0 O A:HOH362 4.8 39.0 1.0 HG21 A:THR16 4.8 20.1 1.0 HH A:TYR44 4.8 16.1 1.0 CA A:THR16 4.8 12.0 1.0 CZ A:ARG52 4.8 45.8 1.0 H B:ALA17 4.8 11.4 1.0 HA A:THR16 4.8 14.4 1.0 HG22 B:THR16 4.9 17.2 1.0 CG2 A:THR16 4.9 16.8 1.0 O A:HOH318 4.9 20.3 1.0

Bromine binding site 7 out of 35 in the Structure of H. Salinarum Rosr (VNG0258) Grown From Nabr


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Structure of H. Salinarum Rosr (VNG0258) Grown From Nabr within 5.0Å range: probe atom residue distance (Å) B Occ A:Br206 b:26.8 occ:0.54 H A:TYR32 2.9 21.8 1.0 HA A:ARG31 2.9 18.2 1.0 HH11 A:ARG31 3.1 56.1 1.0 HB2 A:ALA35 3.3 14.4 1.0 HB3 A:ALA35 3.5 14.4 1.0 HB1 A:ALA35 3.5 14.4 1.0 HG2 A:ARG31 3.5 42.7 1.0 CB A:ALA35 3.6 12.0 1.0 HB3 A:ARG31 3.7 19.3 1.0 N A:TYR32 3.7 18.1 1.0 CA A:ARG31 3.8 15.2 1.0 NH1 A:ARG31 3.8 46.8 1.0 HH12 A:ARG31 3.9 56.1 1.0 O A:HOH372 4.0 40.4 1.0 HD3 A:ARG31 4.0 63.9 1.0 CB A:ARG31 4.0 16.1 1.0 CG A:ARG31 4.2 35.5 1.0 HB2 A:TYR32 4.3 16.9 1.0 C A:ARG31 4.3 26.7 1.0 O A:ALA30 4.3 19.1 1.0 CD2 A:TYR32 4.3 39.9 1.0 HD2 A:TYR32 4.4 47.9 1.0 CG A:TYR32 4.4 24.8 1.0 CD A:ARG31 4.6 53.3 1.0 HH21 A:ARG38 4.7 24.4 1.0 CB A:TYR32 4.7 14.1 1.0 CE2 A:TYR32 4.7 35.6 1.0 CA A:TYR32 4.8 14.0 1.0 HH22 A:ARG38 4.8 24.4 1.0 N A:ARG31 4.9 16.9 1.0 CD1 A:TYR32 4.9 24.6 1.0 CZ A:ARG31 4.9 34.1 1.0 HB2 A:ARG31 5.0 19.3 1.0

Bromine binding site 8 out of 35 in the Structure of H. Salinarum Rosr (VNG0258) Grown From Nabr


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Structure of H. Salinarum Rosr (VNG0258) Grown From Nabr within 5.0Å range: probe atom residue distance (Å) B Occ A:Br207 b:30.1 occ:0.59 O A:HOH313 2.9 41.8 1.0 HD11 A:LEU65 3.0 16.8 1.0 HA A:ALA12 3.2 25.1 1.0 HD3 A:LYS63 3.3 44.6 1.0 HB3 A:LYS63 3.4 19.1 1.0 HB2 A:ALA12 3.5 37.0 1.0 HD21 A:LEU65 3.6 14.1 1.0 O A:HOH356 3.7 36.4 1.0 O A:ASP11 3.8 62.5 1.0 CA A:ALA12 3.9 20.9 1.0 C A:ASP11 3.9 52.6 1.0 CD1 A:LEU65 3.9 14.0 1.0 N A:ALA12 4.0 24.0 1.0 CB A:ALA12 4.1 30.8 1.0 HD21 A:LEU15 4.2 24.5 1.0 CD A:LYS63 4.2 37.2 1.0 HG A:LEU65 4.2 16.4 1.0 CB A:LYS63 4.3 15.9 1.0 HG2 A:LYS63 4.3 31.6 1.0 HD12 A:LEU65 4.3 16.8 1.0 HZ2 A:LYS63 4.3 50.8 1.0 HB1 A:ALA12 4.4 37.0 1.0 CD2 A:LEU65 4.4 11.7 1.0 CG A:LEU65 4.5 13.6 1.0 HD13 A:LEU65 4.5 16.8 1.0 N A:ASP11 4.5 78.6 1.0 CG A:LYS63 4.5 26.3 1.0 H A:ALA12 4.6 28.8 1.0 HA A:ASP11 4.6 44.5 1.0 CA A:ASP11 4.6 37.0 1.0 HD2 A:LYS63 4.7 44.6 1.0 HG A:LEU15 4.7 20.0 1.0 HB2 A:LYS63 4.7 19.1 1.0 O A:LYS63 4.8 20.1 1.0 HD11 A:LEU15 4.8 24.1 1.0 HB3 A:ALA12 4.9 37.0 1.0 HD23 A:LEU65 4.9 14.1 1.0 CD2 A:LEU15 5.0 20.4 1.0

Bromine binding site 9 out of 35 in the Structure of H. Salinarum Rosr (VNG0258) Grown From Nabr


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Structure of H. Salinarum Rosr (VNG0258) Grown From Nabr within 5.0Å range: probe atom residue distance (Å) B Occ A:Br208 b:36.4 occ:0.52 HA A:TRP94 2.9 12.3 1.0 O A:HOH341 3.1 33.9 1.0 HD1 A:TRP94 3.6 22.0 1.0 CA A:TRP94 3.6 10.2 1.0 HB3 A:SER97 3.6 31.9 1.0 HB3 A:GLU93 3.7 14.8 1.0 HB2 A:TRP94 3.7 13.5 1.0 N A:TRP94 3.7 16.7 1.0 O A:GLU93 3.9 12.9 1.0 C A:GLU93 3.9 11.6 1.0 HH22 A:ARG13 4.1 24.6 1.0 H A:TRP94 4.1 20.1 1.0 CB A:TRP94 4.1 11.2 1.0 OG A:SER97 4.1 21.4 1.0 HB2 A:GLU93 4.2 14.8 1.0 HG A:SER97 4.3 25.7 1.0 CB A:SER97 4.3 26.5 1.0 CB A:GLU93 4.3 12.3 1.0 CD1 A:TRP94 4.3 18.3 1.0 HB2 A:SER97 4.5 31.9 1.0 CG A:TRP94 4.7 11.7 1.0 NH2 A:ARG13 4.7 20.5 1.0 O B:HOH315 4.7 23.6 1.0 HH21 A:ARG13 4.7 24.6 1.0 CA A:GLU93 4.8 9.7 1.0 C A:TRP94 4.9 10.2 1.0 BR A:BR218 4.9 29.6 0.3

Bromine binding site 10 out of 35 in the Structure of H. Salinarum Rosr (VNG0258) Grown From Nabr


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Structure of H. Salinarum Rosr (VNG0258) Grown From Nabr within 5.0Å range: probe atom residue distance (Å) B Occ A:Br209 b:38.9 occ:0.53 H A:ASP104 2.7 14.5 1.0 HB2 A:ASP102 2.9 19.7 1.0 H A:ALA103 3.2 18.7 1.0 O A:HOH325 3.3 42.6 1.0 HB3 A:ALA103 3.4 33.7 1.0 HB2 A:ASP104 3.4 20.0 1.0 N A:ASP104 3.5 12.1 1.0 OD2 A:ASP104 3.5 26.6 1.0 CG A:ASP104 3.5 27.2 1.0 CG A:ASP102 3.6 15.9 1.0 CB A:ASP102 3.7 16.4 1.0 N A:ALA103 3.7 15.6 1.0 OD1 A:ASP102 3.7 16.8 1.0 O A:HOH380 3.8 24.4 1.0 CB A:ASP104 3.9 16.7 1.0 OD1 A:ASP104 4.0 25.2 1.0 OD2 A:ASP102 4.0 19.2 1.0 CB A:ALA103 4.2 28.1 1.0 HB3 A:ASP102 4.3 19.7 1.0 CA A:ALA103 4.3 16.1 1.0 CA A:ASP104 4.3 13.2 1.0 C A:ALA103 4.3 11.9 1.0 C A:ASP102 4.5 14.3 1.0 HB2 A:ALA103 4.6 33.7 1.0 CA A:ASP102 4.7 16.1 1.0 O A:HOH351 4.8 37.1 1.0 HB3 A:ASP104 4.8 20.0 1.0 HA A:ASP104 4.8 15.8 1.0 HB1 A:ALA103 4.9 33.7 1.0 H A:ARG105 5.0 13.2 1.0

N.Kutnowski, H.Shmuely, I.Dahan, F.Shmulevich, G.Davidov, A.Shahar, J.Eichler, R.Zarivach, B.Shaanan. The 3-D Structure of VNG0258H/Rosr - A Haloarchaeal Dna-Binding Protein in Its Ionic Shell. J. Struct. Biol. V. 204 191 2018.
ISSN: ESSN 1095-8657
PubMed: 30110657
DOI: 10.1016/J.JSB.2018.08.008