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Chlorine in PDB 6nvt: Crystal Structure of Tla-1 Extended Spectrum Beta-Lactamase

Enzymatic activity of Crystal Structure of Tla-1 Extended Spectrum Beta-Lactamase

All present enzymatic activity of Crystal Structure of Tla-1 Extended Spectrum Beta-Lactamase:
3.5.2.6;

Protein crystallography data

The structure of Crystal Structure of Tla-1 Extended Spectrum Beta-Lactamase, PDB code: 6nvt was solved by E.Rudino-Pinera, V.H.Cifuentes-Castro, C.Rodriguez-Almazan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.15 / 2.20
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 99.060, 99.010, 99.700, 90.00, 90.04, 90.00
R / Rfree (%) 18.1 / 20.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Tla-1 Extended Spectrum Beta-Lactamase (pdb code 6nvt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of Tla-1 Extended Spectrum Beta-Lactamase, PDB code: 6nvt:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 6nvt

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Chlorine binding site 1 out of 8 in the Crystal Structure of Tla-1 Extended Spectrum Beta-Lactamase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Tla-1 Extended Spectrum Beta-Lactamase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl308

b:39.7
occ:1.00
 N A:LEU199 3.1 32.4 1.0
N A:ILE198 3.2 41.2 1.0
OD1 A:ASN196 3.4 38.0 1.0
O A:PHE193 3.4 34.8 1.0
CA A:ASN196 3.5 35.0 1.0
CB A:ILE198 3.6 34.4 1.0
CA A:ILE198 3.7 34.9 1.0
N A:GLU197 3.7 36.6 1.0
C A:ASN196 3.8 41.8 1.0
CD1 A:TYR204 3.8 29.4 1.0
C A:ILE198 3.8 37.9 1.0
CD1 A:PHE193 3.8 32.0 1.0
CA A:PHE193 3.9 35.7 1.0
CG A:LEU199 3.9 32.4 1.0
CG1 A:ILE198 3.9 43.5 1.0
CB A:LEU199 3.9 31.0 1.0
CA A:LEU199 4.0 34.2 1.0
C A:PHE193 4.1 33.6 1.0
CD1 A:LEU199 4.2 32.6 1.0
N A:ASN196 4.2 39.2 1.0
CB A:TYR204 4.2 32.5 1.0
O A:LEU199 4.3 38.7 1.0
CG A:ASN196 4.3 43.9 1.0
C A:GLU197 4.3 42.7 1.0
O A:LYS192 4.4 36.0 1.0
CB A:ASN196 4.4 36.6 1.0
CG A:TYR204 4.5 31.6 1.0
C A:LEU199 4.5 37.2 1.0
O A:ASN196 4.6 38.8 1.0
CE1 A:PHE193 4.6 35.0 1.0
CA A:GLU197 4.6 35.3 1.0
CB A:PHE193 4.6 34.6 1.0
CD1 A:ILE198 4.6 39.4 1.0
CG A:PHE193 4.7 30.6 1.0
CE1 A:TYR204 4.7 26.3 1.0
O A:HOH447 4.8 41.0 1.0
CG2 A:ILE198 4.9 37.5 1.0
N A:PHE193 4.9 37.8 1.0
CA A:TYR204 5.0 34.5 1.0
O A:ILE198 5.0 36.5 1.0

Chlorine binding site 2 out of 8 in 6nvt

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Chlorine binding site 2 out of 8 in the Crystal Structure of Tla-1 Extended Spectrum Beta-Lactamase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Tla-1 Extended Spectrum Beta-Lactamase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl308

b:38.7
occ:1.00
 N B:LEU199 3.1 34.5 1.0
O B:PHE193 3.3 32.3 1.0
N B:ILE198 3.3 44.7 1.0
OD1 B:ASN196 3.4 39.8 1.0
CA B:ASN196 3.5 32.8 1.0
CB B:ILE198 3.6 36.6 1.0
CD1 B:TYR204 3.7 32.0 1.0
CD1 B:PHE193 3.8 28.0 1.0
CA B:ILE198 3.8 38.2 1.0
N B:GLU197 3.8 41.3 1.0
C B:ASN196 3.8 39.5 1.0
CA B:PHE193 3.8 33.4 1.0
CG B:LEU199 3.9 36.5 1.0
C B:ILE198 3.9 43.2 1.0
CB B:LEU199 3.9 32.3 1.0
C B:PHE193 4.0 29.3 1.0
CG1 B:ILE198 4.0 38.0 1.0
CA B:LEU199 4.0 35.0 1.0
CD1 B:LEU199 4.2 29.6 1.0
CB B:TYR204 4.2 27.9 1.0
N B:ASN196 4.2 40.1 1.0
CG B:ASN196 4.2 41.9 1.0
O B:LEU199 4.4 37.0 1.0
CB B:ASN196 4.4 29.8 1.0
CG B:TYR204 4.4 33.0 1.0
C B:GLU197 4.4 44.8 1.0
O B:LYS192 4.5 34.9 1.0
CE1 B:PHE193 4.5 31.6 1.0
CB B:PHE193 4.5 32.0 1.0
C B:LEU199 4.6 35.6 1.0
CG B:PHE193 4.6 29.0 1.0
O B:ASN196 4.6 38.8 1.0
CE1 B:TYR204 4.6 27.1 1.0
CA B:GLU197 4.7 34.1 1.0
CD1 B:ILE198 4.8 36.9 1.0
O B:HOH442 4.8 42.6 1.0
N B:PHE193 4.9 37.0 1.0
CG2 B:ILE198 4.9 39.2 1.0
CA B:TYR204 4.9 31.3 1.0

Chlorine binding site 3 out of 8 in 6nvt

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Chlorine binding site 3 out of 8 in the Crystal Structure of Tla-1 Extended Spectrum Beta-Lactamase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Tla-1 Extended Spectrum Beta-Lactamase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl311

b:66.8
occ:1.00
 NE2 C:HIS233 2.6 33.4 1.0
NZ C:LYS222 2.9 69.7 1.0
O C:THR214 2.9 32.4 1.0
O C:HOH470 3.0 33.6 1.0
O C:THR216 3.4 31.0 1.0
CE1 C:HIS233 3.5 34.4 1.0
CD2 C:HIS233 3.5 33.9 1.0
CG2 C:THR214 3.6 30.5 1.0
C C:THR214 3.6 33.1 1.0
CD C:LYS222 3.6 51.6 1.0
CE C:LYS222 3.8 46.5 1.0
CA C:THR215 4.1 37.7 1.0
C C:THR215 4.2 40.8 1.0
O C:HOH616 4.2 47.4 1.0
N C:THR215 4.2 32.7 1.0
N C:THR216 4.2 30.8 1.0
C C:THR216 4.5 28.7 1.0
CB C:THR214 4.6 32.0 1.0
CA C:THR214 4.6 31.1 1.0
ND1 C:HIS233 4.6 32.7 1.0
CG C:HIS233 4.7 29.5 1.0
O C:THR215 4.7 38.4 1.0
O C:ILE212 4.8 30.5 1.0
OG1 C:THR214 4.8 31.6 1.0
CA C:THR216 4.9 32.9 1.0

Chlorine binding site 4 out of 8 in 6nvt

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Chlorine binding site 4 out of 8 in the Crystal Structure of Tla-1 Extended Spectrum Beta-Lactamase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Tla-1 Extended Spectrum Beta-Lactamase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl312

b:53.5
occ:1.00
 O C:PRO67 2.8 30.4 1.0
OD1 C:ASN245 2.9 28.9 1.0
CB C:SER265 3.4 31.4 1.0
CB C:TYR263 3.6 24.7 1.0
CB C:ALA243 3.6 29.6 1.0
N C:PRO67 3.6 28.7 1.0
CG C:ASN245 3.7 35.3 1.0
CD C:PRO67 3.7 29.5 1.0
ND2 C:ASN245 3.7 28.1 1.0
CG C:PRO67 3.7 32.7 1.0
CB C:TYR66 3.8 26.2 1.0
C C:PRO67 3.8 33.6 1.0
CD2 C:TYR263 3.9 34.9 1.0
O C:VAL264 4.0 36.4 1.0
CA C:SER265 4.1 35.0 1.0
CA C:ALA243 4.1 27.8 1.0
C C:VAL264 4.1 34.3 1.0
C C:TYR66 4.1 34.9 1.0
N C:SER265 4.2 33.5 1.0
CA C:PRO67 4.2 28.4 1.0
CG C:TYR263 4.2 34.9 1.0
CA C:TYR263 4.2 23.9 1.0
C C:TYR263 4.3 35.3 1.0
N C:VAL264 4.3 30.2 1.0
CD2 C:TYR66 4.3 29.4 1.0
O C:ALA242 4.3 35.5 1.0
CA C:TYR66 4.3 34.3 1.0
OG C:SER265 4.4 40.9 1.0
CB C:PRO67 4.4 27.9 1.0
CG C:TYR66 4.5 34.5 1.0
N C:THR244 4.8 29.4 1.0
O C:TYR263 4.8 36.6 1.0
CA C:VAL264 4.9 27.6 1.0
O C:TYR66 4.9 29.1 1.0
N C:MET68 4.9 28.7 1.0
C C:ALA243 5.0 29.1 1.0

Chlorine binding site 5 out of 8 in 6nvt

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Chlorine binding site 5 out of 8 in the Crystal Structure of Tla-1 Extended Spectrum Beta-Lactamase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Tla-1 Extended Spectrum Beta-Lactamase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl313

b:42.0
occ:1.00
 N C:LEU199 3.1 39.2 1.0
N C:ILE198 3.3 41.4 1.0
O C:PHE193 3.3 32.2 1.0
OD1 C:ASN196 3.4 42.0 1.0
CA C:ASN196 3.4 37.9 1.0
CB C:ILE198 3.5 35.6 1.0
N C:GLU197 3.7 41.5 1.0
CA C:ILE198 3.7 28.6 1.0
C C:ASN196 3.7 37.8 1.0
CD1 C:TYR204 3.8 31.3 1.0
CB C:LEU199 3.8 36.6 1.0
CD1 C:PHE193 3.9 29.6 1.0
C C:ILE198 3.9 42.6 1.0
CA C:PHE193 3.9 30.2 1.0
CA C:LEU199 4.0 36.9 1.0
CG C:LEU199 4.0 38.2 1.0
CG1 C:ILE198 4.0 36.0 1.0
C C:PHE193 4.0 31.7 1.0
N C:ASN196 4.2 35.3 1.0
CG C:ASN196 4.2 39.0 1.0
CB C:TYR204 4.2 32.4 1.0
CD1 C:LEU199 4.3 31.8 1.0
O C:LEU199 4.3 37.8 1.0
CB C:ASN196 4.4 34.1 1.0
C C:GLU197 4.4 43.4 1.0
O C:LYS192 4.4 36.3 1.0
CG C:TYR204 4.4 34.1 1.0
C C:LEU199 4.5 38.3 1.0
CE1 C:PHE193 4.6 30.9 1.0
O C:ASN196 4.6 40.2 1.0
CA C:GLU197 4.6 35.2 1.0
CB C:PHE193 4.7 31.9 1.0
CE1 C:TYR204 4.7 27.5 1.0
CG C:PHE193 4.7 31.6 1.0
CG2 C:ILE198 4.7 34.6 1.0
O C:HOH474 4.7 38.5 1.0
CD1 C:ILE198 4.7 37.5 1.0
N C:PHE193 4.9 37.1 1.0
CA C:TYR204 5.0 29.0 1.0

Chlorine binding site 6 out of 8 in 6nvt

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Chlorine binding site 6 out of 8 in the Crystal Structure of Tla-1 Extended Spectrum Beta-Lactamase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Tla-1 Extended Spectrum Beta-Lactamase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl314

b:56.8
occ:1.00
 O C:HOH633 2.8 33.0 1.0
O C:HOH524 2.9 39.0 1.0
N C:THR145 3.3 34.0 1.0
OG1 C:THR145 3.5 36.9 1.0
CA C:GLY144 3.7 24.9 1.0
O C:HOH593 3.7 44.8 1.0
CG2 C:THR165 3.8 34.3 1.0
CG2 C:THR145 3.8 25.6 1.0
O C:HOH618 3.9 50.3 1.0
C C:GLY144 4.0 32.7 1.0
CB C:THR145 4.1 33.4 1.0
CA C:THR145 4.3 33.5 1.0
O C:HOH631 4.4 44.9 1.0
N C:GLY144 4.9 39.0 1.0

Chlorine binding site 7 out of 8 in 6nvt

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Chlorine binding site 7 out of 8 in the Crystal Structure of Tla-1 Extended Spectrum Beta-Lactamase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Tla-1 Extended Spectrum Beta-Lactamase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl307

b:57.2
occ:1.00
 O D:HOH498 3.0 38.0 1.0
O D:HOH630 3.2 36.6 1.0
N D:THR145 3.4 35.9 1.0
O D:HOH580 3.4 46.4 1.0
OG1 D:THR145 3.4 34.5 1.0
CA D:GLY144 3.7 30.9 1.0
CG2 D:THR145 4.0 32.9 1.0
C D:GLY144 4.1 32.3 1.0
CB D:THR145 4.1 32.2 1.0
CG2 D:THR165 4.3 35.9 1.0
CA D:THR145 4.3 34.9 1.0

Chlorine binding site 8 out of 8 in 6nvt

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Chlorine binding site 8 out of 8 in the Crystal Structure of Tla-1 Extended Spectrum Beta-Lactamase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Tla-1 Extended Spectrum Beta-Lactamase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl308

b:39.0
occ:1.00
 N D:LEU199 3.2 38.8 1.0
O D:PHE193 3.3 32.7 1.0
N D:ILE198 3.3 40.7 1.0
OD1 D:ASN196 3.3 42.3 1.0
CA D:ASN196 3.4 35.2 1.0
CB D:ILE198 3.6 31.8 1.0
C D:ASN196 3.7 40.0 1.0
N D:GLU197 3.7 36.9 1.0
CA D:ILE198 3.7 30.0 1.0
CD1 D:PHE193 3.8 28.0 1.0
CD1 D:TYR204 3.8 30.9 1.0
CA D:PHE193 3.8 33.9 1.0
C D:ILE198 3.9 38.6 1.0
C D:PHE193 4.0 30.2 1.0
CG1 D:ILE198 4.0 35.8 1.0
CG D:LEU199 4.0 35.0 1.0
CB D:LEU199 4.0 35.8 1.0
CA D:LEU199 4.1 34.9 1.0
N D:ASN196 4.1 39.6 1.0
CG D:ASN196 4.2 45.1 1.0
CB D:ASN196 4.3 34.1 1.0
CB D:TYR204 4.3 31.4 1.0
CD1 D:LEU199 4.3 35.4 1.0
C D:GLU197 4.4 40.1 1.0
O D:LYS192 4.4 32.5 1.0
O D:LEU199 4.5 38.4 1.0
O D:ASN196 4.5 35.7 1.0
CG D:TYR204 4.5 29.2 1.0
CE1 D:PHE193 4.5 33.3 1.0
CB D:PHE193 4.5 30.3 1.0
CG D:PHE193 4.6 29.0 1.0
CA D:GLU197 4.6 34.0 1.0
C D:LEU199 4.6 37.0 1.0
CE1 D:TYR204 4.7 26.2 1.0
CD1 D:ILE198 4.8 34.1 1.0
CG2 D:ILE198 4.8 35.9 1.0
N D:PHE193 4.8 40.2 1.0
O D:HOH473 4.9 36.0 1.0
CA D:TYR204 5.0 29.2 1.0

Reference:

V.Cifuentes-Castro, C.Rodriguez-Almazan, J.Silva-Sanchez, E.Rudino-Pinera. The Crystal Structure of Esbl Tla-1 in Complex with Clavulanic Acid Reveals A Second Acylation Site. Biochem.Biophys.Res.Commun. 2019.
ISSN: ESSN 1090-2104
PubMed: 31780261
DOI: 10.1016/J.BBRC.2019.11.138
Page generated: Mon Jul 29 12:16:32 2024

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