Chlorine in PDB 4bf5: Structure of Broad Spectrum Racemase From Aeromonas Hydrophila

All present enzymatic activity of Structure of Broad Spectrum Racemase From Aeromonas Hydrophila:
5.1.1.1;

The structure of Structure of Broad Spectrum Racemase From Aeromonas Hydrophila, PDB code: 4bf5 was solved by C.Carrasco-Lopez, J.A.Hermoso, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.122 / 1.45
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.666, 81.850, 78.286, 90.00, 98.97, 90.00
R / Rfree (%)	19.17 / 20.79

The structure of Structure of Broad Spectrum Racemase From Aeromonas Hydrophila also contains other interesting chemical elements:

Nickel

(Ni)

1 atom

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 23;

Binding sites:

The binding sites of Chlorine atom in the Structure of Broad Spectrum Racemase From Aeromonas Hydrophila (pdb code 4bf5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 23 binding sites of Chlorine where determined in the Structure of Broad Spectrum Racemase From Aeromonas Hydrophila, PDB code: 4bf5:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 23 in the Structure of Broad Spectrum Racemase From Aeromonas Hydrophila


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Broad Spectrum Racemase From Aeromonas Hydrophila within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1418 b:0.9 occ:1.00 HE A:ARG173 2.8 14.4 1.0 HB2 A:ASN174 2.9 17.6 1.0 HH21 A:ARG173 2.9 19.3 1.0 HD21 A:ASN174 2.9 21.1 1.0 H A:ASN174 3.0 16.8 1.0 HB3 A:HIS204 3.0 14.6 1.0 HB3 A:ARG173 3.1 13.4 1.0 O A:HOH2248 3.3 16.2 1.0 HG2 A:MET171 3.3 18.7 1.0 HB2 A:HIS204 3.5 14.6 1.0 NE A:ARG173 3.6 12.1 1.0 ND2 A:ASN174 3.6 17.6 1.0 CB A:HIS204 3.7 12.2 1.0 NH2 A:ARG173 3.7 16.1 1.0 HB3 A:MET171 3.7 14.6 1.0 CB A:ASN174 3.8 14.7 1.0 N A:ASN174 3.8 14.0 1.0 O A:HOH2252 3.8 12.4 1.0 HE2 A:MET202 3.9 23.5 1.0 CB A:ARG173 4.1 11.2 1.0 CZ A:ARG173 4.1 13.4 1.0 CG A:MET171 4.2 15.6 1.0 CG A:ASN174 4.2 12.4 1.0 HD22 A:ASN174 4.2 21.1 1.0 HD2 A:HIS204 4.3 15.6 1.0 CA A:ASN174 4.3 12.4 1.0 H A:GLY175 4.3 14.6 1.0 CB A:MET171 4.3 12.2 1.0 H A:ARG173 4.4 14.1 1.0 HH22 A:ARG173 4.4 19.3 1.0 HG2 A:ARG173 4.4 13.8 1.0 CG A:HIS204 4.4 12.1 1.0 HG3 A:MET171 4.4 18.7 1.0 H2A2 A:PLP1350 4.4 18.0 1.0 HB3 A:ASN174 4.5 17.6 1.0 HB2 A:MET171 4.5 14.6 1.0 HB2 A:ARG173 4.6 13.4 1.0 CD2 A:HIS204 4.6 13.0 1.0 CG A:ARG173 4.6 11.6 1.0 N A:GLY175 4.6 12.2 1.0 CD A:ARG173 4.7 14.9 1.0 CE A:MET202 4.7 19.6 1.0 H A:HIS204 4.8 14.0 1.0 C A:ARG173 4.8 13.1 1.0 HB2 A:ALA165 4.8 13.6 1.0 HD22 A:LEU139 4.8 22.0 1.0 C A:ASN174 4.8 12.9 1.0 CA A:ARG173 4.9 11.4 1.0 N A:HIS204 4.9 11.7 1.0 H2A3 A:PLP1350 4.9 18.0 1.0 CA A:HIS204 4.9 12.5 1.0 N A:ARG173 5.0 11.8 1.0

Chlorine binding site 2 out of 23 in the Structure of Broad Spectrum Racemase From Aeromonas Hydrophila


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Broad Spectrum Racemase From Aeromonas Hydrophila within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1419 b:3.9 occ:1.00 HZ2 A:TRP398 2.9 13.4 1.0 H A:ARG324 2.9 22.1 1.0 HD22 A:ASN387 3.0 23.4 1.0 HB2 A:ARG324 3.5 20.7 1.0 HD23 A:LEU383 3.6 16.4 1.0 HE1 A:TRP398 3.6 11.6 1.0 HA A:TYR323 3.6 13.5 1.0 N A:ARG324 3.7 18.4 1.0 CZ2 A:TRP398 3.7 11.2 1.0 O A:HOH2430 3.8 21.5 1.0 ND2 A:ASN387 3.8 19.5 1.0 HG2 A:MET394 3.8 17.0 1.0 HD11 A:LEU383 3.8 15.5 1.0 HB3 A:ARG324 3.9 20.7 1.0 HD1 A:TYR323 3.9 19.5 1.0 CD1 A:TYR323 4.0 16.3 1.0 CB A:ARG324 4.0 17.3 1.0 NE1 A:TRP398 4.2 9.7 1.0 HE1 A:TYR323 4.2 18.4 1.0 CE1 A:TYR323 4.2 15.4 1.0 HD21 A:ASN387 4.2 23.4 1.0 CE2 A:TRP398 4.3 10.8 1.0 HB3 A:LEU383 4.4 15.9 1.0 CA A:ARG324 4.4 24.2 1.0 CA A:TYR323 4.5 11.3 1.0 CD2 A:LEU383 4.5 13.7 1.0 OD1 A:ASN387 4.5 23.1 1.0 C A:TYR323 4.6 14.7 1.0 CG A:ASN387 4.6 20.6 1.0 HG3 A:MET394 4.6 17.0 1.0 O A:GLY322 4.6 11.9 1.0 CG A:MET394 4.6 14.2 1.0 CG A:TYR323 4.6 14.4 1.0 CD1 A:LEU383 4.7 13.0 1.0 HA A:ARG324 4.7 29.0 1.0 HB3 A:MET394 4.7 18.3 1.0 HD22 A:LEU383 4.8 16.4 1.0 CH2 A:TRP398 4.8 13.5 1.0 HH2 A:TRP398 4.8 16.1 1.0 HD12 A:LEU383 4.9 15.5 1.0 HE2 A:PHE282 4.9 12.4 1.0 CZ A:TYR323 4.9 15.4 1.0 CG A:LEU383 5.0 11.0 1.0

Chlorine binding site 3 out of 23 in the Structure of Broad Spectrum Racemase From Aeromonas Hydrophila


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Broad Spectrum Racemase From Aeromonas Hydrophila within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1420 b:6.5 occ:1.00 HB3 A:LYS339 3.2 16.4 1.0 HD3 A:PRO341 3.4 17.3 1.0 HB3 A:TYR332 3.4 15.3 1.0 HB3 A:PRO341 3.5 18.2 1.0 HE3 A:LYS339 3.5 45.8 1.0 O A:HOH2447 3.5 34.9 1.0 HZ2 A:LYS339 3.5 49.7 1.0 HZ3 A:LYS339 3.6 49.7 1.0 O A:HOH2211 3.7 43.8 1.0 HB2 A:TYR332 3.7 15.3 1.0 HA A:PRO341 3.8 18.4 1.0 N A:PRO341 3.8 13.7 1.0 NZ A:LYS339 3.9 41.5 1.0 HA A:VAL340 3.9 14.6 1.0 CB A:TYR332 4.0 12.8 1.0 CD A:PRO341 4.0 14.5 1.0 C A:VAL340 4.1 12.9 1.0 CB A:LYS339 4.1 13.7 1.0 CA A:PRO341 4.2 15.4 1.0 CB A:PRO341 4.2 15.2 1.0 CE A:LYS339 4.2 38.2 1.0 HB2 A:LYS339 4.2 16.4 1.0 C A:LYS339 4.2 16.6 1.0 O A:LYS339 4.2 17.6 1.0 N A:VAL340 4.3 13.4 1.0 CA A:VAL340 4.3 12.2 1.0 HG3 A:PRO341 4.5 20.6 1.0 CG A:PRO341 4.6 17.2 1.0 O A:VAL340 4.6 16.5 1.0 H A:VAL340 4.6 16.0 1.0 O A:HOH2439 4.7 43.3 1.0 HZ1 A:LYS339 4.7 49.7 1.0 HE2 A:LYS339 4.7 45.8 1.0 CG A:TYR332 4.8 14.7 1.0 CA A:LYS339 4.8 17.6 1.0 HD2 A:PRO341 4.9 17.3 1.0

Chlorine binding site 4 out of 23 in the Structure of Broad Spectrum Racemase From Aeromonas Hydrophila


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Broad Spectrum Racemase From Aeromonas Hydrophila within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1421 b:9.5 occ:1.00 O A:HOH2080 2.2 52.8 1.0 H A:ILE69 3.0 14.6 1.0 HD3 A:PRO95 3.2 17.4 1.0 HB A:ILE69 3.4 17.6 1.0 HD13 A:ILE69 3.5 21.9 1.0 HA A:LYS68 3.5 17.6 1.0 HG13 A:ILE69 3.5 16.5 1.0 HD2 A:PRO95 3.6 17.4 1.0 HD11 A:ILE94 3.7 23.0 1.0 N A:ILE69 3.7 12.2 1.0 CD A:PRO95 3.8 14.5 1.0 HE2 A:LYS59 3.9 24.3 1.0 HG3 A:PRO95 3.9 16.3 1.0 CG1 A:ILE69 4.1 13.8 1.0 HA A:ILE94 4.1 17.4 1.0 CB A:ILE69 4.1 14.8 1.0 CD1 A:ILE69 4.2 18.3 1.0 HG2 A:LYS59 4.3 24.0 1.0 CA A:LYS68 4.3 14.7 1.0 HD13 A:ILE94 4.4 23.0 1.0 CG A:PRO95 4.4 13.6 1.0 CD1 A:ILE94 4.4 19.2 1.0 C A:LYS68 4.5 12.9 1.0 CA A:ILE69 4.5 12.0 1.0 HB3 A:LYS68 4.5 19.8 1.0 HD12 A:ILE69 4.6 21.9 1.0 HD12 A:ILE94 4.8 23.0 1.0 O A:HOH2079 4.8 23.6 1.0 HG2 A:PRO95 4.8 16.3 1.0 CE A:LYS59 4.8 20.3 1.0 HG2 A:LYS68 4.9 33.5 1.0 O A:PRO67 4.9 17.3 1.0 CB A:LYS68 4.9 16.5 1.0 HD11 A:ILE69 5.0 21.9 1.0 O A:ILE69 5.0 13.7 1.0 HG21 A:ILE94 5.0 19.1 1.0 HG12 A:ILE69 5.0 16.5 1.0

Chlorine binding site 5 out of 23 in the Structure of Broad Spectrum Racemase From Aeromonas Hydrophila


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of Broad Spectrum Racemase From Aeromonas Hydrophila within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1422 b:20.3 occ:1.00 H A:ASP253 3.0 23.4 1.0 HB2 A:ASP253 3.1 28.4 1.0 HE2 A:LYS214 3.1 48.3 1.0 O A:HOH2352 3.1 44.9 1.0 HD2 A:PRO252 3.1 27.0 1.0 HG11 A:VAL251 3.1 27.2 1.0 HA A:VAL251 3.3 22.7 1.0 HG2 A:PRO252 3.5 32.9 1.0 CG A:ASP253 3.5 29.6 1.0 OD1 A:ASP253 3.5 29.9 1.0 CB A:ASP253 3.7 23.8 1.0 HG13 A:VAL251 3.8 27.2 1.0 N A:ASP253 3.8 19.5 1.0 CD A:PRO252 3.9 22.6 1.0 O A:HOH2162 3.9 48.0 1.0 CG1 A:VAL251 3.9 22.7 1.0 OD2 A:ASP253 3.9 29.2 1.0 CE A:LYS214 4.0 40.3 1.0 CA A:VAL251 4.1 19.0 1.0 N A:PRO252 4.1 17.6 1.0 HE3 A:LYS214 4.1 48.3 1.0 CG A:PRO252 4.1 27.5 1.0 HZ2 A:LYS214 4.3 56.1 1.0 C A:VAL251 4.3 16.1 1.0 CA A:ASP253 4.4 22.4 1.0 HG2 A:LYS214 4.5 27.1 1.0 HB3 A:ASP253 4.5 28.4 1.0 NZ A:LYS214 4.6 46.8 1.0 CB A:VAL251 4.6 18.4 1.0 HG12 A:VAL251 4.6 27.2 1.0 O A:HOH2353 4.7 32.4 1.0 HD3 A:PRO252 4.7 27.0 1.0 O A:GLU250 4.7 23.6 1.0 HZ1 A:LYS214 4.8 56.1 1.0 HG3 A:PRO252 4.8 32.9 1.0 HG23 A:VAL251 4.8 21.6 1.0 C A:PRO252 4.8 14.6 1.0 HA A:ASP253 4.9 26.9 1.0 CA A:PRO252 4.9 20.8 1.0

Chlorine binding site 6 out of 23 in the Structure of Broad Spectrum Racemase From Aeromonas Hydrophila


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of Broad Spectrum Racemase From Aeromonas Hydrophila within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1423 b:17.3 occ:1.00 HA A:THR114 3.0 20.6 1.0 HD2 A:ARG109 3.6 16.6 1.0 HH11 A:ARG109 3.6 14.7 1.0 NH1 A:ARG109 3.7 12.3 1.0 HG23 A:THR114 3.7 26.5 1.0 HH12 A:ARG109 3.8 14.7 1.0 HB A:THR114 3.9 21.5 1.0 CA A:THR114 3.9 17.2 1.0 CZ A:ARG109 3.9 12.7 1.0 O A:HOH2154 3.9 36.6 1.0 HD2 A:LYS135 4.1 29.4 1.0 O A:THR114 4.2 16.1 1.0 NE A:ARG109 4.2 12.1 1.0 CB A:THR114 4.3 18.0 1.0 O A:PHE113 4.3 11.1 1.0 CD A:ARG109 4.4 13.9 1.0 C A:THR114 4.4 16.1 1.0 O A:HOH2081 4.4 24.0 1.0 CG2 A:THR114 4.4 22.1 1.0 O A:HOH2153 4.5 15.9 1.0 NH2 A:ARG109 4.5 12.5 1.0 O A:HOH2207 4.5 28.0 1.0 HH22 A:ARG109 4.6 14.9 1.0 HE A:ARG109 4.7 14.5 1.0 HD3 A:ARG109 4.8 16.6 1.0 O A:HOH2083 4.8 44.4 1.0 HB2 A:LYS135 4.8 23.2 1.0 HH21 A:ARG109 4.9 14.9 1.0 HZ3 A:LYS135 5.0 33.3 1.0 N A:THR114 5.0 13.6 1.0 HG22 A:THR114 5.0 26.5 1.0

Chlorine binding site 7 out of 23 in the Structure of Broad Spectrum Racemase From Aeromonas Hydrophila


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structure of Broad Spectrum Racemase From Aeromonas Hydrophila within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1424 b:23.1 occ:1.00 O A:HOH2214 3.0 30.6 1.0 O A:HOH2218 3.1 42.1 1.0 HA3 A:GLY337 3.3 18.8 1.0 HG2 A:GLN373 3.4 19.2 1.0 HA3 A:GLY374 3.6 27.2 1.0 N A:GLY337 3.7 18.0 1.0 C A:GLN336 3.8 19.2 1.0 HA A:GLN336 3.8 20.1 1.0 CA A:GLY337 3.9 15.7 1.0 H A:GLY337 3.9 21.6 1.0 O A:HOH2215 3.9 37.4 1.0 HA2 A:GLY337 4.1 18.8 1.0 O A:GLN336 4.1 22.0 1.0 HA2 A:GLY374 4.2 27.2 1.0 CA A:GLY374 4.2 22.8 1.0 N A:GLY374 4.2 18.4 1.0 H A:GLY374 4.3 22.0 1.0 CG A:GLN373 4.3 16.1 1.0 CA A:GLN336 4.4 16.8 1.0 HG3 A:GLN373 4.5 19.2 1.0 C A:GLN373 4.7 14.0 1.0 O A:HOH2232 4.8 32.2 1.0 CD A:GLN373 4.9 14.3 1.0

Chlorine binding site 8 out of 23 in the Structure of Broad Spectrum Racemase From Aeromonas Hydrophila


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structure of Broad Spectrum Racemase From Aeromonas Hydrophila within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1425 b:27.2 occ:1.00 HE21 A:GLN130 2.6 17.9 1.0 HG3 A:GLN130 3.2 19.0 1.0 HA A:ALA126 3.2 14.2 1.0 HB3 A:GLU129 3.4 16.7 1.0 OE1 A:GLU129 3.4 33.4 1.0 NE2 A:GLN130 3.5 15.0 1.0 O A:HOH2188 3.6 37.9 1.0 CD A:GLU129 3.8 30.6 1.0 CG A:GLN130 3.9 15.9 1.0 HG2 A:GLN130 3.9 19.0 1.0 HG2 A:GLU129 3.9 21.8 1.0 HB2 A:ALA126 4.0 18.6 1.0 O A:HOH2187 4.0 21.7 1.0 HE22 A:GLN130 4.0 17.9 1.0 CA A:ALA126 4.1 11.9 1.0 CG A:GLU129 4.2 18.2 1.0 CB A:GLU129 4.2 13.9 1.0 CD A:GLN130 4.2 17.4 1.0 O A:ALA126 4.2 12.7 1.0 HB3 A:ALA126 4.3 18.6 1.0 CB A:ALA126 4.4 15.5 1.0 OE2 A:GLU129 4.4 28.9 1.0 HB2 A:GLU129 4.5 16.7 1.0 C A:ALA126 4.7 13.7 1.0 H A:GLN130 4.8 16.0 1.0

Chlorine binding site 9 out of 23 in the Structure of Broad Spectrum Racemase From Aeromonas Hydrophila


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Structure of Broad Spectrum Racemase From Aeromonas Hydrophila within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1426 b:21.2 occ:1.00 O B:HOH2004 2.3 39.5 1.0 HA A:PRO26 3.4 18.7 1.0 HA B:PRO26 3.5 20.2 1.0 O A:HOH2007 3.5 21.0 1.0 HH22 A:ARG32 3.5 17.0 1.0 HH21 A:ARG32 3.6 17.0 1.0 O B:HOH2007 3.7 23.0 1.0 HH22 B:ARG32 3.7 15.2 1.0 HH21 B:ARG32 3.8 15.2 1.0 NH2 A:ARG32 3.9 14.2 1.0 NH2 B:ARG32 4.1 12.7 1.0 O B:HOH2005 4.2 25.4 1.0 CA A:PRO26 4.2 15.6 1.0 HG3 A:PRO26 4.2 22.0 1.0 OD2 A:ASP30 4.3 18.7 1.0 CA B:PRO26 4.3 16.8 1.0 HG3 B:PRO26 4.4 24.3 1.0 OD2 B:ASP30 4.4 20.0 1.0 N A:PRO26 4.4 15.5 1.0 O A:HOH2002 4.5 31.9 1.0 N B:PRO26 4.5 14.1 1.0 C A:LEU25 4.6 11.9 1.0 O A:HOH2019 4.6 16.6 1.0 C B:LEU25 4.6 11.0 1.0 O B:LEU25 4.7 11.3 1.0 O A:LEU25 4.7 13.3 1.0 O B:TYR24 4.7 13.3 1.0 HB3 A:PRO26 4.7 15.1 1.0 O A:HOH2031 4.8 26.1 1.0 HB3 B:PRO26 4.8 21.3 1.0 H A:LEU27 4.8 17.5 1.0 CG A:PRO26 4.9 18.4 1.0 HD3 A:PRO26 4.9 19.4 1.0 CB A:PRO26 4.9 12.6 1.0 O A:TYR24 4.9 14.2 1.0 H B:LEU27 5.0 17.9 1.0 HD3 B:PRO26 5.0 19.0 1.0 O B:HOH2016 5.0 15.5 1.0

Chlorine binding site 10 out of 23 in the Structure of Broad Spectrum Racemase From Aeromonas Hydrophila


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Structure of Broad Spectrum Racemase From Aeromonas Hydrophila within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1427 b:25.5 occ:1.00 O A:HOH2151 3.1 30.0 1.0 HG12 A:VAL199 3.2 25.4 1.0 O A:HOH2246 3.2 28.0 1.0 HG3 A:PRO161 3.3 24.2 1.0 HB A:THR197 3.5 27.6 1.0 HG22 A:THR197 3.5 28.2 1.0 O A:HOH2210 3.5 30.0 1.0 HG13 A:VAL199 3.7 25.4 1.0 HB3 A:PRO161 3.8 16.3 1.0 CG1 A:VAL199 3.8 21.2 1.0 HG11 A:VAL199 3.9 25.4 1.0 O A:HOH2245 3.9 37.2 1.0 CG2 A:THR197 4.1 23.5 1.0 CG A:PRO161 4.1 20.2 1.0 CB A:THR197 4.2 23.0 1.0 HG23 A:THR197 4.3 28.2 1.0 CB A:PRO161 4.4 13.6 1.0 HG2 A:PRO161 4.6 24.2 1.0 OG1 A:THR197 4.6 26.2 1.0 HA A:PRO161 4.6 16.4 1.0 O A:HOH2168 4.8 30.8 1.0 O A:HOH2343 4.8 20.8 1.0 HG1 A:THR197 4.8 31.4 1.0 OD1 A:ASN159 5.0 25.7 1.0 CA A:PRO161 5.0 13.7 1.0

A.Espaillat, C.Carrasco-Lopez, N.Bernardo-Garcia, N.Pietrosemoli, L.H.Otero, L.Alvarez, M.A.De Pedro, F.Pazos, B.M.Davis, M.K.Waldor, J.A.Hermoso, F.Cava. Structural Basis For the Broad Specificity of A New Family of Amino-Acid Racemases. Acta Crystallogr.,Sect.D V. 70 79 2014.
ISSN: ISSN 0907-4449
PubMed: 24419381
DOI: 10.1107/S1399004713024838