Bromine in PDB 4mtm: Crystal Structure of the Tail Fiber GP53 From Acinetobacter Baumannii Bacteriophage AP22

The structure of Crystal Structure of the Tail Fiber GP53 From Acinetobacter Baumannii Bacteriophage AP22, PDB code: 4mtm was solved by L.V.Sycheva, M.M.Shneider, P.G.Leiman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.72 / 1.37
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	51.200, 51.200, 302.030, 90.00, 90.00, 120.00
R / Rfree (%)	9.9 / 13.2

The structure of Crystal Structure of the Tail Fiber GP53 From Acinetobacter Baumannii Bacteriophage AP22 also contains other interesting chemical elements:

Sodium

(Na)

3 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20;

Binding sites:

The binding sites of Bromine atom in the Crystal Structure of the Tail Fiber GP53 From Acinetobacter Baumannii Bacteriophage AP22 (pdb code 4mtm). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 20 binding sites of Bromine where determined in the Crystal Structure of the Tail Fiber GP53 From Acinetobacter Baumannii Bacteriophage AP22, PDB code: 4mtm:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 20 in the Crystal Structure of the Tail Fiber GP53 From Acinetobacter Baumannii Bacteriophage AP22


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of the Tail Fiber GP53 From Acinetobacter Baumannii Bacteriophage AP22 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br302 b:31.8 occ:0.52 H A:LEU152 2.4 7.3 1.0 O A:HOH495 3.1 32.3 1.0 HB A:VAL151 3.2 9.0 1.0 N A:LEU152 3.2 6.1 1.0 HB2 A:LEU152 3.3 8.6 1.0 HA A:VAL151 3.3 7.6 1.0 O A:HOH421 3.3 19.7 1.0 HG12 A:VAL151 3.8 12.0 1.0 CA A:VAL151 3.9 6.3 1.0 CB A:VAL151 3.9 7.5 1.0 H A:ASN153 4.0 7.9 1.0 C A:VAL151 4.0 6.1 1.0 CB A:LEU152 4.0 7.1 1.0 CA A:LEU152 4.0 6.5 1.0 OD1 A:ASN153 4.3 9.8 1.0 N A:ASN153 4.3 6.6 1.0 CG1 A:VAL151 4.3 10.0 1.0 O A:HOH448 4.3 26.4 1.0 HG A:LEU152 4.4 8.7 1.0 CG A:ASN153 4.4 9.1 1.0 C A:LEU152 4.5 7.6 1.0 HD12 A:LEU152 4.5 11.9 1.0 HB3 A:ASN153 4.6 9.3 1.0 O A:HOH402 4.6 43.7 1.0 HG11 A:VAL151 4.7 12.0 1.0 ND2 A:ASN153 4.7 13.8 1.0 CG A:LEU152 4.8 7.2 1.0 HB3 A:LEU152 4.8 8.6 1.0 HD21 A:ASN153 4.8 16.5 1.0 OE1 A:GLN165 4.9 9.4 1.0 HA A:LEU152 4.9 7.9 1.0 CB A:ASN153 5.0 7.7 1.0

Bromine binding site 2 out of 20 in the Crystal Structure of the Tail Fiber GP53 From Acinetobacter Baumannii Bacteriophage AP22


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of the Tail Fiber GP53 From Acinetobacter Baumannii Bacteriophage AP22 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br303 b:31.7 occ:0.35 O A:HOH403 2.3 15.4 1.0 HB3 A:ASN150 2.8 8.7 1.0 H A:ASN150 3.1 8.4 1.0 O A:HOH461 3.2 27.9 1.0 CB A:ASN150 3.7 7.2 1.0 HB2 A:ASN150 3.8 8.7 1.0 N A:ASN150 3.9 7.0 1.0 HG13 A:VAL151 3.9 12.0 1.0 CA A:ASN150 4.2 6.5 1.0 HD22 A:ASN150 4.2 9.5 1.0 HA A:LEU149 4.4 6.0 1.0 C A:ASN150 4.5 7.0 1.0 O A:ASN150 4.6 8.1 1.0 CG1 A:VAL151 4.8 10.0 1.0 CG A:ASN150 4.8 6.8 1.0 ND2 A:ASN150 4.9 7.9 1.0 C A:LEU149 5.0 5.1 1.0 HG11 A:VAL151 5.0 12.0 1.0

Bromine binding site 3 out of 20 in the Crystal Structure of the Tail Fiber GP53 From Acinetobacter Baumannii Bacteriophage AP22


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of the Tail Fiber GP53 From Acinetobacter Baumannii Bacteriophage AP22 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br304 b:33.5 occ:0.26 O A:HOH524 3.0 27.1 1.0 HB2 A:ASN153 3.1 9.3 1.0 BR A:BR305 3.7 48.4 0.6 CB A:ASN153 4.0 7.7 1.0 O A:HOH517 4.0 37.7 1.0 O A:ASN153 4.2 8.2 1.0 HB3 A:ASN153 4.2 9.3 1.0 HA A:ASN153 4.2 8.9 1.0 BR A:BR318 4.3 33.0 0.2 CA A:ASN153 4.6 7.4 1.0 HD22 A:ASN153 4.6 16.5 1.0 O A:HOH498 4.7 9.7 1.0 O A:HOH480 4.7 35.2 1.0 C A:ASN153 4.8 7.7 1.0 O A:HOH436 4.8 17.0 1.0 O A:HOH422 4.9 15.7 1.0

Bromine binding site 4 out of 20 in the Crystal Structure of the Tail Fiber GP53 From Acinetobacter Baumannii Bacteriophage AP22


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure of the Tail Fiber GP53 From Acinetobacter Baumannii Bacteriophage AP22 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br305 b:48.4 occ:0.64 BR A:BR318 2.5 33.0 0.2 O A:HOH498 3.1 9.7 1.0 O A:HOH524 3.2 27.1 1.0 HD22 A:ASN155 3.6 12.3 1.0 BR A:BR304 3.7 33.5 0.3 HD21 A:ASN155 3.9 12.3 1.0 ND2 A:ASN155 3.9 10.2 1.0 BR A:BR315 4.1 42.0 0.4 O A:HOH436 4.7 17.0 1.0 HB3 A:ASN155 4.8 7.6 1.0 O A:ASN153 4.8 8.2 1.0 CG A:ASN155 4.9 7.6 1.0

Bromine binding site 5 out of 20 in the Crystal Structure of the Tail Fiber GP53 From Acinetobacter Baumannii Bacteriophage AP22


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Crystal Structure of the Tail Fiber GP53 From Acinetobacter Baumannii Bacteriophage AP22 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br306 b:24.9 occ:0.43 H A:GLN176 2.5 7.5 0.6 H A:GLN176 2.5 7.5 0.5 O A:HOH477 2.7 28.7 0.9 HA A:PHE175 2.9 7.3 1.0 HB2 A:ARG186 3.2 10.8 1.0 HG3 A:GLN176 3.3 18.8 0.6 O A:HOH496 3.3 31.0 0.9 N A:GLN176 3.3 6.3 1.0 HD2 A:ARG186 3.4 22.7 1.0 HB3 A:PHE175 3.4 8.9 1.0 HB2 A:GLN176 3.6 15.1 0.6 HD1 A:PHE175 3.6 12.2 1.0 CA A:PHE175 3.7 6.1 1.0 HB3 A:GLN176 3.8 8.9 0.5 HB2 A:GLN176 3.8 8.9 0.5 O A:GLY188 3.8 10.3 1.0 HA2 A:GLY188 3.8 10.7 1.0 HB3 A:ARG186 3.9 10.8 1.0 CB A:ARG186 4.0 9.0 1.0 CB A:PHE175 4.0 7.4 1.0 C A:PHE175 4.0 6.4 1.0 CG A:GLN176 4.1 15.6 0.6 CB A:GLN176 4.1 12.6 0.6 CB A:GLN176 4.1 7.4 0.5 CD A:ARG186 4.2 18.9 1.0 CD1 A:PHE175 4.3 10.1 1.0 C A:GLY188 4.3 8.3 1.0 CA A:GLN176 4.3 7.3 0.6 CA A:GLN176 4.3 5.4 0.5 H A:GLY188 4.4 10.9 1.0 CA A:GLY188 4.4 8.9 1.0 HD3 A:ARG186 4.5 22.7 1.0 O A:ARG186 4.5 8.8 1.0 CG A:PHE175 4.6 7.5 1.0 CG A:ARG186 4.6 12.3 1.0 N A:GLY188 4.7 9.1 1.0 CD A:GLN176 4.7 21.0 0.6 HG2 A:GLN176 4.8 18.8 0.6 HB2 A:PHE175 4.8 8.9 1.0 HG3 A:ARG186 4.9 14.8 1.0 O A:LYS172 4.9 9.1 1.0 N A:PHE175 4.9 6.7 1.0 OD1 A:ASP189 4.9 16.6 1.0 C A:ARG186 5.0 7.5 1.0 HA A:GLN176 5.0 8.8 0.6 HA A:GLN176 5.0 6.4 0.5

Bromine binding site 6 out of 20 in the Crystal Structure of the Tail Fiber GP53 From Acinetobacter Baumannii Bacteriophage AP22


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Crystal Structure of the Tail Fiber GP53 From Acinetobacter Baumannii Bacteriophage AP22 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br307 b:13.0 occ:0.18 H A:SER182 2.4 7.2 1.0 O A:HOH512 2.8 13.1 0.8 O A:HOH494 2.9 23.9 1.0 HB3 A:ASN180 2.9 8.1 1.0 HB3 A:GLN181 3.0 13.4 1.0 HB2 A:SER182 3.1 9.3 1.0 N A:SER182 3.3 6.0 1.0 O A:HOH529 3.3 32.3 1.0 H A:GLN181 3.6 9.2 1.0 O A:SER182 3.7 6.8 1.0 CB A:ASN180 3.8 6.8 1.0 CB A:SER182 3.9 7.8 1.0 N A:GLN181 3.9 7.7 1.0 CB A:GLN181 3.9 11.1 1.0 HB2 A:ASN180 3.9 8.1 1.0 CA A:SER182 4.0 6.4 1.0 HD22 A:ASN180 4.1 11.6 1.0 O A:HOH504 4.2 12.3 1.0 CA A:GLN181 4.2 8.0 1.0 C A:GLN181 4.2 7.5 1.0 OG A:SER182 4.2 9.2 1.0 C A:SER182 4.3 5.7 1.0 HB2 A:GLN181 4.4 13.4 1.0 O A:HOH516 4.4 34.4 1.0 OE1 A:GLN181 4.4 18.2 1.0 C A:ASN180 4.5 7.4 1.0 HG A:SER182 4.5 11.0 1.0 ND2 A:ASN180 4.6 9.6 1.0 CG A:ASN180 4.7 6.9 1.0 HB3 A:SER182 4.7 9.3 1.0 CA A:ASN180 4.7 6.6 1.0 HG2 A:GLN181 4.8 14.8 1.0 CG A:GLN181 4.8 12.4 1.0 HA A:SER182 4.9 7.7 1.0 HA A:ASN180 4.9 8.0 1.0

Bromine binding site 7 out of 20 in the Crystal Structure of the Tail Fiber GP53 From Acinetobacter Baumannii Bacteriophage AP22


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Crystal Structure of the Tail Fiber GP53 From Acinetobacter Baumannii Bacteriophage AP22 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br308 b:44.7 occ:0.52 HG3 A:LYS203 2.7 36.8 1.0 H A:LYS203 2.7 15.8 1.0 HB A:THR202 2.9 15.1 1.0 HZ1 A:LYS203 3.0 53.9 1.0 HZ3 A:LYS203 3.0 53.9 1.0 OG A:SER260 3.3 21.9 0.6 HA A:THR202 3.3 13.4 1.0 NZ A:LYS203 3.4 44.9 1.0 N A:LYS203 3.4 13.1 1.0 CG A:LYS203 3.6 30.7 1.0 HB2 A:SER260 3.7 11.7 0.4 CB A:THR202 3.7 12.6 1.0 HB2 A:LYS203 3.7 25.7 1.0 HD2 A:LYS203 3.7 47.9 1.0 HG A:SER260 3.8 26.2 0.6 HB3 A:SER260 3.8 11.7 0.4 CA A:THR202 3.8 11.1 1.0 HB2 A:SER260 4.0 21.2 0.6 HZ2 A:LYS203 4.0 53.9 1.0 HG22 A:THR202 4.0 17.1 1.0 CB A:LYS203 4.1 21.4 1.0 CD A:LYS203 4.1 39.9 1.0 C A:THR202 4.1 11.8 1.0 CB A:SER260 4.2 9.8 0.4 CB A:SER260 4.2 17.7 0.6 HG2 A:LYS203 4.3 36.8 1.0 CE A:LYS203 4.4 42.6 1.0 CA A:LYS203 4.4 15.9 1.0 CG2 A:THR202 4.4 14.2 1.0 O A:HOH473 4.5 31.6 1.0 HG21 A:THR202 4.7 17.1 1.0 HB3 A:SER260 4.7 21.2 0.6 OG1 A:THR202 4.8 13.4 1.0 HA A:LYS203 4.8 19.1 1.0 OG A:SER260 4.8 12.3 0.4 O A:HOH443 4.9 24.5 1.0 HE2 A:LYS203 4.9 51.1 1.0 HE3 A:LYS203 5.0 51.1 1.0 HB3 A:LYS203 5.0 25.7 1.0 HG1 A:THR202 5.0 16.1 1.0 HD3 A:LYS203 5.0 47.9 1.0

Bromine binding site 8 out of 20 in the Crystal Structure of the Tail Fiber GP53 From Acinetobacter Baumannii Bacteriophage AP22


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Crystal Structure of the Tail Fiber GP53 From Acinetobacter Baumannii Bacteriophage AP22 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br309 b:29.8 occ:0.43 H A:ASN207 2.5 11.0 1.0 HZ2 A:LYS248 2.9 31.8 1.0 HZ3 A:LYS248 2.9 31.8 1.0 HB2 A:SER206 3.0 16.0 1.0 HA A:SER206 3.2 13.4 1.0 N A:ASN207 3.3 9.2 1.0 NZ A:LYS248 3.4 26.5 1.0 HB2 A:ASN207 3.5 13.2 1.0 CG A:ASN207 3.5 15.4 1.0 ND2 A:ASN207 3.6 17.9 1.0 CB A:SER206 3.7 13.3 1.0 HZ1 A:LYS248 3.8 31.8 1.0 CA A:SER206 3.8 11.2 1.0 HD22 A:ASN207 3.8 21.5 1.0 HD21 A:ASN207 3.8 21.5 1.0 OD1 A:ASN207 3.9 16.0 1.0 CB A:ASN207 3.9 11.0 1.0 HB3 A:SER206 4.0 16.0 1.0 C A:SER206 4.0 9.1 1.0 CA A:ASN207 4.2 9.1 1.0 O A:HOH492 4.2 29.6 0.7 HD3 A:LYS248 4.3 21.7 1.0 HD2 A:LYS248 4.6 21.7 1.0 CE A:LYS248 4.6 22.2 1.0 HA A:ASN207 4.7 11.0 1.0 CD A:LYS248 4.7 18.1 1.0 BR A:BR310 4.8 39.9 0.3 HB3 A:ASN207 4.8 13.2 1.0 OG A:SER206 4.9 12.5 1.0 HG A:SER206 5.0 15.0 1.0

Bromine binding site 9 out of 20 in the Crystal Structure of the Tail Fiber GP53 From Acinetobacter Baumannii Bacteriophage AP22


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Crystal Structure of the Tail Fiber GP53 From Acinetobacter Baumannii Bacteriophage AP22 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br310 b:39.9 occ:0.30 HD22 A:ASN207 2.6 21.5 1.0 HD11 A:ILE209 2.9 32.2 1.0 HD11 A:ILE209 3.1 7.0 0.0 HB2 A:ASN207 3.2 13.2 1.0 ND2 A:ASN207 3.4 17.9 1.0 CD1 A:ILE209 3.9 26.8 1.0 HD21 A:ASN207 3.9 21.5 1.0 CB A:ASN207 4.0 11.0 1.0 CD1 A:ILE209 4.0 5.9 0.0 HB3 A:ASN207 4.0 13.2 1.0 CG A:ASN207 4.2 15.4 1.0 HD12 A:ILE209 4.2 7.0 0.0 HD13 A:ILE209 4.3 32.2 1.0 HD12 A:ILE209 4.3 32.2 1.0 HG13 A:ILE209 4.4 7.1 0.0 HG12 A:ILE209 4.5 17.5 1.0 HG13 A:ILE209 4.5 17.5 1.0 CG1 A:ILE209 4.6 14.6 1.0 HD13 A:ILE209 4.7 7.0 0.0 CG1 A:ILE209 4.7 5.9 0.0 BR A:BR309 4.8 29.8 0.4 HG12 A:ILE209 4.8 7.1 0.0

Bromine binding site 10 out of 20 in the Crystal Structure of the Tail Fiber GP53 From Acinetobacter Baumannii Bacteriophage AP22


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Crystal Structure of the Tail Fiber GP53 From Acinetobacter Baumannii Bacteriophage AP22 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br311 b:22.4 occ:0.31 H A:VAL232 2.7 11.0 1.0 HA A:ASP231 3.1 14.1 1.0 HG23 A:VAL232 3.3 15.0 1.0 N A:VAL232 3.4 9.2 1.0 HB A:VAL232 3.5 13.4 1.0 O A:PRO230 3.8 13.2 1.0 CA A:ASP231 4.0 11.8 1.0 CG2 A:VAL232 4.0 12.5 1.0 CB A:VAL232 4.1 11.1 1.0 C A:ASP231 4.1 10.5 1.0 CA A:VAL232 4.3 8.9 1.0 HG21 A:VAL232 4.3 15.0 1.0 O A:VAL232 4.6 12.5 1.0 HB3 A:ASP231 4.7 17.6 1.0 C A:PRO230 4.7 11.4 1.0 HG22 A:VAL232 4.8 15.0 1.0 N A:ASP231 4.9 11.3 1.0 C A:VAL232 4.9 10.3 1.0 CB A:ASP231 4.9 14.7 1.0 OD1 A:ASP231 5.0 29.2 1.0

L.V.Sycheva, M.M.Shneider, A.V.Popova, R.K.Ziganshin, K.A.Miroshnikov, P.G.Leiman. Crystal Structure of the Tail Fiber GP53 From Acinetobacter Baumannii Bacteriophage AP22 To Be Published.