Atomistry » Chlorine » PDB 6nvg-6o0q » 6nvt
Atomistry »
  Chlorine »
    PDB 6nvg-6o0q »
      6nvt »

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

Go back to Chlorine Binding Sites List in 6nvt
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

Go back to Chlorine Binding Sites List in 6nvt
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

Go back to Chlorine Binding Sites List in 6nvt
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

Go back to Chlorine Binding Sites List in 6nvt
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

Go back to Chlorine Binding Sites List in 6nvt
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

Go back to Chlorine Binding Sites List in 6nvt
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

Go back to Chlorine Binding Sites List in 6nvt
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

Go back to Chlorine Binding Sites List in 6nvt
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

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy