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Chlorine in PDB 5eoe: Crystal Structure of Extended-Spectrum Beta-Lactamase Bel-1 (Orthorhombic Form)

Enzymatic activity of Crystal Structure of Extended-Spectrum Beta-Lactamase Bel-1 (Orthorhombic Form)

All present enzymatic activity of Crystal Structure of Extended-Spectrum Beta-Lactamase Bel-1 (Orthorhombic Form):
3.5.2.6;

Protein crystallography data

The structure of Crystal Structure of Extended-Spectrum Beta-Lactamase Bel-1 (Orthorhombic Form), PDB code: 5eoe was solved by C.Pozzi, F.De Luca, M.Benvenuti, J.D.Docquier, S.Mangani, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.25 / 1.60
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 100.270, 120.920, 53.410, 90.00, 90.00, 90.00
R / Rfree (%) 14.2 / 16.7

Chlorine Binding Sites:

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

Chlorine binding site 1 out of 6 in 5eoe

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Chlorine binding site 1 out of 6 in the Crystal Structure of Extended-Spectrum Beta-Lactamase Bel-1 (Orthorhombic Form)


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 Extended-Spectrum Beta-Lactamase Bel-1 (Orthorhombic Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:18.8
occ:1.00
 O B:HOH759 2.9 23.3 1.0
O A:HOH568 3.1 38.7 1.0
N A:ALA98 3.2 9.7 1.0
NZ A:LYS102 3.2 14.2 1.0
N A:PRO99 3.5 9.7 1.0
O A:GLU96 3.6 13.9 1.0
CA A:PRO99 3.7 9.6 1.0
CD A:PRO99 3.8 10.1 1.0
C A:ALA98 3.8 9.5 1.0
CA A:TYR97 3.8 10.6 1.0
CE A:LYS102 3.8 13.2 1.0
CD A:LYS102 3.9 12.2 1.0
O A:HOH672 3.9 46.3 1.0
C A:TYR97 4.0 9.9 1.0
CB A:PRO99 4.0 10.2 1.0
CA A:ALA98 4.1 9.2 1.0
CD1 A:TYR97 4.1 11.6 1.0
O A:ALA98 4.3 10.0 1.0
CG A:PRO99 4.3 11.2 1.0
C A:GLU96 4.5 13.0 1.0
CE1 A:TYR97 4.6 12.0 1.0
N A:TYR97 4.7 11.4 1.0
CG A:TYR97 4.7 10.5 1.0
CB A:TYR97 4.8 10.2 1.0
O A:HOH761 4.9 41.4 1.0

Chlorine binding site 2 out of 6 in 5eoe

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Chlorine binding site 2 out of 6 in the Crystal Structure of Extended-Spectrum Beta-Lactamase Bel-1 (Orthorhombic Form)


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 Extended-Spectrum Beta-Lactamase Bel-1 (Orthorhombic Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl307

b:20.9
occ:1.00
 NH1 A:ARG236 3.0 12.1 0.5
O A:HOH506 3.1 18.3 1.0
O A:HOH518 3.4 37.9 1.0
NH1 A:ARG266 3.4 16.8 1.0
CD A:ARG236 3.5 11.3 0.5
CD A:ARG266 3.7 13.7 1.0
CZ A:ARG236 3.9 12.1 0.5
CA A:GLY263 3.9 15.8 1.0
NH1 A:ARG236 3.9 13.7 0.5
NE A:ARG236 4.0 11.9 0.5
CD A:ARG236 4.0 12.3 0.5
CB A:SER230 4.2 11.7 1.0
CG A:ARG236 4.3 10.6 0.5
CZ A:ARG266 4.4 15.0 1.0
CG A:ARG236 4.4 11.5 0.5
CB A:ARG236 4.5 10.9 0.5
NE A:ARG266 4.5 14.3 1.0
O A:GLY263 4.5 14.7 1.0
CB A:ARG266 4.5 11.6 1.0
O A:HOH408 4.6 17.3 1.0
CB A:ARG236 4.6 10.4 0.5
CZ A:ARG236 4.6 13.7 0.5
CG A:ARG266 4.6 12.8 1.0
NE A:ARG236 4.7 12.9 0.5
O A:HOH674 4.7 38.4 1.0
C A:GLY263 4.7 15.0 1.0
O A:GLY235 4.7 9.8 1.0
OG A:SER230 4.8 13.9 0.9
N A:GLY263 4.9 15.7 1.0
NH2 A:ARG236 4.9 12.5 0.5

Chlorine binding site 3 out of 6 in 5eoe

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Chlorine binding site 3 out of 6 in the Crystal Structure of Extended-Spectrum Beta-Lactamase Bel-1 (Orthorhombic Form)


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 Extended-Spectrum Beta-Lactamase Bel-1 (Orthorhombic Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:21.8
occ:1.00
 OG B:SER43 3.0 12.7 1.0
ND2 B:ASN45 3.1 16.1 1.0
CB B:SER43 3.4 11.2 1.0
N B:ASN45 3.6 11.6 1.0
CB B:ASN45 3.7 13.7 1.0
ND2 B:ASN47 3.9 8.2 1.0
CG B:ASN45 3.9 15.6 1.0
N B:GLU44 4.0 11.2 1.0
O B:HOH487 4.3 18.1 1.0
CA B:ASN45 4.3 12.6 1.0
CB B:GLU44 4.3 13.3 1.0
O B:HOH704 4.4 49.8 1.0
C B:SER43 4.5 11.0 1.0
CA B:GLU44 4.5 12.3 1.0
C B:GLU44 4.5 11.8 1.0
CA B:SER43 4.5 11.2 1.0
CG B:ASN47 5.0 9.2 1.0

Chlorine binding site 4 out of 6 in 5eoe

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Chlorine binding site 4 out of 6 in the Crystal Structure of Extended-Spectrum Beta-Lactamase Bel-1 (Orthorhombic Form)


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 Extended-Spectrum Beta-Lactamase Bel-1 (Orthorhombic Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:14.2
occ:0.80
 O A:HOH727 2.9 21.2 1.0
O B:HOH809 3.2 40.0 1.0
NZ B:LYS102 3.2 15.2 1.0
N B:ALA98 3.2 8.2 1.0
N B:PRO99 3.5 8.8 1.0
O B:GLU96 3.6 11.9 1.0
CD B:PRO99 3.7 9.3 1.0
CA B:PRO99 3.7 8.7 1.0
C B:ALA98 3.7 8.4 1.0
CE B:LYS102 3.7 13.9 1.0
O B:HOH619 3.8 31.8 1.0
CD B:LYS102 3.8 11.8 1.0
CA B:TYR97 3.9 9.6 1.0
CB B:PRO99 4.0 9.0 1.0
C B:TYR97 4.0 9.0 1.0
CA B:ALA98 4.1 8.4 1.0
CD1 B:TYR97 4.2 11.5 1.0
O B:ALA98 4.2 8.7 1.0
CG B:PRO99 4.4 9.6 1.0
C B:GLU96 4.5 11.1 1.0
N B:TYR97 4.6 10.0 1.0
CE1 B:TYR97 4.7 12.0 1.0
CG B:TYR97 4.7 10.8 1.0
CB B:TYR97 4.8 10.5 1.0
O B:HOH578 4.9 12.4 1.0
CG B:LYS102 5.0 9.8 1.0

Chlorine binding site 5 out of 6 in 5eoe

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Chlorine binding site 5 out of 6 in the Crystal Structure of Extended-Spectrum Beta-Lactamase Bel-1 (Orthorhombic Form)


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 Extended-Spectrum Beta-Lactamase Bel-1 (Orthorhombic Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl303

b:23.4
occ:1.00
 O B:HOH489 3.1 22.1 1.0
NH1 B:ARG266 3.3 17.6 1.0
O B:HOH673 3.4 40.1 1.0
O B:HOH588 3.4 44.3 1.0
CD B:ARG236 3.4 17.2 0.8
NH1 B:ARG236 3.6 17.0 0.8
CD B:ARG266 3.7 13.6 1.0
CA B:GLY263 4.0 14.4 1.0
NE B:ARG236 4.2 18.0 0.8
O B:GLY263 4.2 14.2 1.0
CZ B:ARG236 4.3 18.6 0.8
CZ B:ARG266 4.3 16.2 1.0
CB B:SER230 4.3 14.3 1.0
NE B:ARG266 4.4 15.6 1.0
CG B:ARG236 4.5 13.7 1.0
C B:GLY263 4.5 15.0 1.0
CB B:ARG266 4.5 12.4 1.0
CG B:ARG266 4.5 12.3 1.0
CB B:ARG236 4.6 11.8 1.0
O B:HOH409 4.6 20.7 1.0
O B:GLY235 4.7 10.9 1.0
OG B:SER230 4.9 15.1 0.8

Chlorine binding site 6 out of 6 in 5eoe

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Chlorine binding site 6 out of 6 in the Crystal Structure of Extended-Spectrum Beta-Lactamase Bel-1 (Orthorhombic Form)


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 Extended-Spectrum Beta-Lactamase Bel-1 (Orthorhombic Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl309

b:37.1
occ:1.00
 O B:HOH720 3.1 39.0 1.0
N B:SER91 3.1 11.5 1.0
O B:HOH506 3.1 24.8 1.0
OG B:SER91 3.2 17.1 1.0
CB B:ASP90 3.5 12.7 1.0
CA B:ASP90 3.6 11.3 1.0
C B:ASP90 3.8 10.9 1.0
CB B:SER91 3.9 13.1 1.0
CA B:SER91 4.0 11.4 1.0
O B:HOH638 4.0 31.1 1.0
CG2 B:VAL105 4.1 11.0 1.0
O B:HOH688 4.4 37.5 1.0
O B:HOH653 4.4 16.5 1.0
O A:HOH623 4.5 24.5 1.0
O B:VAL105 4.7 9.2 1.0
CG B:ASP90 4.8 13.7 0.7
O B:ASP90 5.0 10.4 1.0
N B:ASP90 5.0 10.6 1.0

Reference:

C.Pozzi, F.De Luca, M.Benvenuti, L.Poirel, P.Nordmann, G.M.Rossolini, S.Mangani, J.D.Docquier. Crystal Structure of the Pseudomonas Aeruginosa Bel-1 Extended-Spectrum Beta-Lactamase and Its Complexes with Moxalactam and Imipenem. Antimicrob.Agents Chemother. V. 60 7189 2016.
ISSN: ESSN 1098-6596
PubMed: 27671060
DOI: 10.1128/AAC.00936-16
Page generated: Fri Jul 26 07:25:32 2024

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