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Chlorine in PDB 6v4w: The Crystal Structure of A Beta-Lactamase From Chitinophaga Pinensis Dsm 2588

Enzymatic activity of The Crystal Structure of A Beta-Lactamase From Chitinophaga Pinensis Dsm 2588

All present enzymatic activity of The Crystal Structure of A Beta-Lactamase From Chitinophaga Pinensis Dsm 2588:
3.5.2.6;

Protein crystallography data

The structure of The Crystal Structure of A Beta-Lactamase From Chitinophaga Pinensis Dsm 2588, PDB code: 6v4w was solved by K.Tan, L.Welk, M.Endres, A.Joachimiak, Center For Structural Genomics Ofinfectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.48 / 1.29
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 75.702, 76.313, 89.376, 90.00, 90.00, 90.00
R / Rfree (%) 16.1 / 18.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Crystal Structure of A Beta-Lactamase From Chitinophaga Pinensis Dsm 2588 (pdb code 6v4w). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the The Crystal Structure of A Beta-Lactamase From Chitinophaga Pinensis Dsm 2588, PDB code: 6v4w:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 6v4w

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Chlorine binding site 1 out of 8 in the The Crystal Structure of A Beta-Lactamase From Chitinophaga Pinensis Dsm 2588


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of A Beta-Lactamase From Chitinophaga Pinensis Dsm 2588 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:17.0
occ:0.88
 O B:HOH652 3.1 25.3 1.0
O B:HOH523 3.1 16.0 1.0
O A:HOH623 3.2 25.7 1.0
O B:HOH489 3.2 18.9 1.0
ND2 A:ASN275 3.4 15.0 1.0
O A:HOH680 3.8 35.6 1.0
CB A:ASN275 3.9 14.1 1.0
CB B:LYS213 4.1 14.1 1.0
CG A:ASN275 4.2 13.3 1.0
CG1 B:VAL231 4.2 15.1 1.0
CG2 B:VAL231 4.3 15.5 1.0
O B:LYS213 4.4 14.9 1.0
CD B:LYS213 4.5 15.6 1.0
CA B:VAL231 4.5 13.6 1.0
CG B:LYS213 4.6 14.2 1.0
CB B:VAL231 4.6 14.5 1.0
O A:HOH467 4.7 19.2 1.0
O A:HOH490 4.8 16.6 1.0
O B:HOH488 4.9 30.3 1.0
C B:LYS213 5.0 13.5 1.0

Chlorine binding site 2 out of 8 in 6v4w

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Chlorine binding site 2 out of 8 in the The Crystal Structure of A Beta-Lactamase From Chitinophaga Pinensis Dsm 2588


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of A Beta-Lactamase From Chitinophaga Pinensis Dsm 2588 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:23.8
occ:0.77
 O A:HOH622 3.0 23.7 1.0
N A:THR146 3.2 16.3 1.0
O A:HOH585 3.3 25.0 1.0
NH2 A:ARG169 3.3 23.6 1.0
NH1 A:ARG169 3.3 23.9 1.0
OG1 A:THR146 3.5 18.3 1.0
CG2 A:THR146 3.7 19.9 1.0
CZ A:ARG169 3.7 23.8 1.0
CA A:GLY145 3.7 18.0 1.0
CB A:THR146 4.0 17.7 1.0
C A:GLY145 4.0 16.0 1.0
CA A:THR146 4.2 15.9 1.0
ND2 A:ASN166 4.6 18.6 1.0
O A:HOH464 4.9 19.6 1.0
CG A:ASN166 4.9 17.7 1.0
CB A:ASN166 5.0 16.2 1.0

Chlorine binding site 3 out of 8 in 6v4w

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Chlorine binding site 3 out of 8 in the The Crystal Structure of A Beta-Lactamase From Chitinophaga Pinensis Dsm 2588


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of A Beta-Lactamase From Chitinophaga Pinensis Dsm 2588 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl305

b:48.1
occ:1.00
 N A:LYS175 3.2 18.9 1.0
N A:TRP174 3.5 19.6 1.0
CG A:LYS175 3.6 28.1 1.0
CB A:LYS175 3.6 23.8 1.0
CB A:ALA173 3.8 19.0 1.0
O A:HOH580 3.8 27.9 1.0
CB A:TRP174 4.0 21.5 1.0
CA A:LYS175 4.1 20.0 1.0
CA A:TRP174 4.1 20.1 1.0
C A:ALA173 4.1 17.1 1.0
C A:TRP174 4.1 19.4 1.0
CD A:LYS175 4.2 31.2 1.0
CA A:ALA173 4.4 17.6 1.0
O A:HOH672 4.4 41.8 1.0
CE A:LYS175 4.8 34.1 1.0
O A:ALA173 4.9 17.2 1.0
CG A:TRP174 5.0 21.5 1.0

Chlorine binding site 4 out of 8 in 6v4w

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Chlorine binding site 4 out of 8 in the The Crystal Structure of A Beta-Lactamase From Chitinophaga Pinensis Dsm 2588


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Crystal Structure of A Beta-Lactamase From Chitinophaga Pinensis Dsm 2588 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl306

b:37.8
occ:0.76
 NE2 A:GLN189 2.5 16.1 0.6
O A:HOH472 3.0 40.6 1.0
N A:ASP159 3.0 20.0 1.0
N A:SER160 3.0 16.7 1.0
OE1 A:GLN189 3.5 19.6 0.4
CD A:GLN189 3.7 15.2 0.6
OG A:SER160 3.7 20.7 1.0
CB A:SER160 3.7 17.5 1.0
CA A:ASP159 3.7 20.9 1.0
C A:ASP159 3.9 19.2 1.0
CB A:ASP159 3.9 24.9 1.0
C A:VAL158 3.9 20.7 1.0
CA A:SER160 3.9 15.7 1.0
OE1 A:GLN189 4.0 18.4 0.6
CA A:VAL158 4.1 19.1 1.0
O A:GLY157 4.2 19.9 1.0
CB A:ALA186 4.3 14.5 1.0
CA A:ALA186 4.5 13.5 1.0
O A:HOH447 4.6 17.4 1.0
CD A:GLN189 4.7 18.9 0.4
CG1 A:VAL158 4.7 21.0 1.0
CG A:ASP159 4.7 30.1 1.0
C A:SER160 4.9 14.1 1.0
O A:VAL158 4.9 24.1 1.0
CG A:GLN189 5.0 14.1 0.6

Chlorine binding site 5 out of 8 in 6v4w

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Chlorine binding site 5 out of 8 in the The Crystal Structure of A Beta-Lactamase From Chitinophaga Pinensis Dsm 2588


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Crystal Structure of A Beta-Lactamase From Chitinophaga Pinensis Dsm 2588 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl304

b:21.2
occ:0.75
 NE1 B:TRP291 3.1 16.2 1.0
O B:HOH467 3.3 24.4 1.0
CG B:PRO227 3.7 15.1 1.0
CD1 B:TRP291 3.9 15.9 1.0
NH2 B:ARG288 3.9 17.8 1.0
CD B:PRO227 3.9 13.9 1.0
CZ B:ARG288 4.0 16.0 1.0
NE B:ARG288 4.0 15.8 1.0
CE2 B:TRP291 4.1 16.1 1.0
CZ2 B:TRP291 4.5 16.9 1.0
OD1 B:ASP292 4.6 18.3 1.0
NH1 B:ARG288 4.7 16.4 1.0
OD1 B:ASN295 4.8 42.9 1.0
CD B:ARG288 4.8 15.9 1.0

Chlorine binding site 6 out of 8 in 6v4w

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Chlorine binding site 6 out of 8 in the The Crystal Structure of A Beta-Lactamase From Chitinophaga Pinensis Dsm 2588


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of The Crystal Structure of A Beta-Lactamase From Chitinophaga Pinensis Dsm 2588 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl305

b:21.1
occ:0.73
 N B:GLY218 2.9 17.6 1.0
O B:HOH622 3.1 19.4 1.0
NE B:ARG223 3.1 16.3 1.0
O B:THR215 3.2 16.1 1.0
NE2 B:HIS234 3.4 14.7 1.0
C B:GLY218 3.4 17.5 1.0
C B:THR216 3.4 14.7 1.0
N B:THR217 3.5 14.9 1.0
CA B:GLY218 3.5 18.1 1.0
CE1 B:HIS234 3.5 14.9 1.0
CA B:THR216 3.6 15.2 1.0
N B:PRO219 3.6 15.3 1.0
CD B:ARG223 3.7 15.9 1.0
O B:GLY218 3.7 18.1 1.0
C B:THR215 3.8 14.0 1.0
O B:THR216 3.9 16.4 1.0
N B:THR216 4.0 14.5 1.0
C B:THR217 4.0 18.9 1.0
CZ B:ARG223 4.2 15.2 1.0
CD B:PRO219 4.2 15.0 1.0
CA B:PRO219 4.2 15.0 1.0
CA B:THR217 4.3 16.5 1.0
O B:HOH440 4.3 14.0 1.0
NH2 B:ARG223 4.4 15.7 1.0
CG2 B:THR215 4.4 15.6 1.0
CG B:ARG223 4.4 15.1 1.0
O B:HOH475 4.6 22.1 1.0
CD2 B:HIS234 4.7 13.1 1.0
ND1 B:HIS234 4.9 13.7 1.0
CB B:THR215 4.9 15.3 1.0
CA B:THR215 5.0 13.8 1.0
CB B:PRO219 5.0 14.8 1.0

Chlorine binding site 7 out of 8 in 6v4w

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Chlorine binding site 7 out of 8 in the The Crystal Structure of A Beta-Lactamase From Chitinophaga Pinensis Dsm 2588


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of The Crystal Structure of A Beta-Lactamase From Chitinophaga Pinensis Dsm 2588 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl306

b:28.5
occ:0.79
 O B:HOH599 2.8 32.2 1.0
O B:HOH558 2.9 21.5 1.0
N B:ASP240 3.0 18.4 1.0
CB B:ASP240 3.5 25.4 1.0
OD2 B:ASP240 3.7 35.3 1.0
CG B:ASP240 3.7 31.9 1.0
CB B:SER239 3.7 17.3 1.0
CZ3 B:TRP174 3.8 21.1 1.0
CA B:SER239 3.8 16.4 1.0
CA B:ASP240 3.8 20.9 1.0
C B:SER239 3.9 17.8 1.0
NE2 B:GLN177 3.9 19.8 1.0
NE2 B:GLN67 3.9 19.9 1.0
CE3 B:TRP174 4.1 20.8 1.0
OE1 B:GLN177 4.2 19.7 1.0
O B:HOH619 4.3 31.2 1.0
CD B:GLN177 4.3 19.2 1.0
OD1 B:ASP240 4.4 34.3 1.0
C B:ASP240 4.5 20.3 1.0
O B:ASP240 4.6 18.9 1.0
OG B:SER239 4.7 17.3 1.0
O B:HOH547 4.7 31.0 1.0
CH2 B:TRP174 4.8 20.9 1.0
O B:HOH501 4.9 19.1 1.0
CD B:GLN67 5.0 18.5 1.0

Chlorine binding site 8 out of 8 in 6v4w

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Chlorine binding site 8 out of 8 in the The Crystal Structure of A Beta-Lactamase From Chitinophaga Pinensis Dsm 2588


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of The Crystal Structure of A Beta-Lactamase From Chitinophaga Pinensis Dsm 2588 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl307

b:29.6
occ:0.83
 N B:VAL92 3.1 16.6 1.0
CB B:VAL92 3.6 20.4 1.0
CG2 B:VAL92 3.7 21.5 1.0
CA B:GLN91 3.8 17.1 1.0
CA B:VAL92 3.9 17.6 1.0
C B:GLN91 3.9 17.4 1.0
CB B:GLN91 4.2 17.9 1.0
O B:VAL92 4.4 20.9 1.0
C B:VAL92 4.7 18.3 1.0
O B:ASP90 4.7 19.9 1.0

Reference:

K.Tan, L.Welk, M.Endres, A.Joachimiak. The Crystal Structure of A Beta-Lactamase From Chitinophaga Pinensis Dsm 2588 To Be Published.
Page generated: Mon Jul 29 16:07:23 2024

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