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Chlorine in PDB 4irt: Crystal Structure of A Putative Neuraminidase (BACOVA_03493) From Bacteroides Ovatus Atcc 8483 at 1.74 A Resolution

Protein crystallography data

The structure of Crystal Structure of A Putative Neuraminidase (BACOVA_03493) From Bacteroides Ovatus Atcc 8483 at 1.74 A Resolution, PDB code: 4irt was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.53 / 1.74
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 101.457, 48.051, 88.599, 90.00, 90.00, 90.00
R / Rfree (%) 16.9 / 20.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Putative Neuraminidase (BACOVA_03493) From Bacteroides Ovatus Atcc 8483 at 1.74 A Resolution (pdb code 4irt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of A Putative Neuraminidase (BACOVA_03493) From Bacteroides Ovatus Atcc 8483 at 1.74 A Resolution, PDB code: 4irt:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 4irt

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Chlorine binding site 1 out of 7 in the Crystal Structure of A Putative Neuraminidase (BACOVA_03493) From Bacteroides Ovatus Atcc 8483 at 1.74 A Resolution


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 A Putative Neuraminidase (BACOVA_03493) From Bacteroides Ovatus Atcc 8483 at 1.74 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:27.1
occ:1.00
 NH2 A:ARG159 2.9 9.3 0.5
ND2 A:ASN195 3.1 20.2 1.0
O1 A:EDO510 3.1 18.1 1.0
N A:ALA196 3.3 12.5 1.0
C A:GLY166 3.3 21.1 1.0
CZ A:ARG159 3.3 10.0 0.5
CA A:GLY166 3.4 17.4 1.0
O A:ALA196 3.4 11.3 1.0
O A:GLY166 3.5 18.9 1.0
CB A:ASN195 3.5 14.8 1.0
C1 A:EDO510 3.5 16.5 1.0
C2 A:EDO510 3.6 15.9 1.0
CA A:ASN195 3.7 13.0 1.0
NH1 A:ARG159 3.8 9.7 0.5
CG A:ASN195 3.8 17.9 1.0
N A:ASN167 4.0 15.1 1.0
C A:ASN195 4.0 12.0 1.0
NE A:ARG159 4.1 10.5 0.5
N A:GLY166 4.2 19.0 1.0
CZ3 A:TRP198 4.3 12.8 1.0
C A:ALA196 4.3 11.1 1.0
CA A:ALA196 4.3 11.3 1.0
O A:HOH881 4.3 33.2 1.0
CD A:ARG159 4.4 14.0 0.5
O2 A:EDO510 4.6 16.5 1.0
CA A:ASN167 4.6 15.2 1.0
CH2 A:TRP198 4.7 12.7 1.0
CB A:ALA196 4.7 11.5 1.0
CG A:ARG159 4.8 12.8 0.5
OD1 A:ASN195 4.9 21.3 1.0
N A:ASN195 5.0 13.0 1.0

Chlorine binding site 2 out of 7 in 4irt

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Chlorine binding site 2 out of 7 in the Crystal Structure of A Putative Neuraminidase (BACOVA_03493) From Bacteroides Ovatus Atcc 8483 at 1.74 A Resolution


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 A Putative Neuraminidase (BACOVA_03493) From Bacteroides Ovatus Atcc 8483 at 1.74 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:36.6
occ:1.00
 O A:HOH917 2.9 38.3 1.0
N A:LYS368 3.1 19.2 1.0
O A:HOH693 3.2 20.4 1.0
CA A:SER367 3.6 19.0 1.0
C A:SER367 3.9 19.1 1.0
CB A:LYS368 3.9 25.6 1.0
CB A:SER367 4.0 18.4 1.0
CA A:LYS368 4.1 20.3 1.0
CG A:LYS368 4.2 36.1 1.0
OG A:SER367 4.4 19.7 1.0
O A:HOH1010 4.4 44.8 1.0
O A:LYS368 4.6 17.2 1.0
CD A:LYS368 4.6 47.2 1.0
O A:THR366 4.7 27.9 1.0
N A:SER367 4.8 19.1 1.0
O A:HOH841 4.8 25.2 1.0
C A:LYS368 4.9 17.7 1.0

Chlorine binding site 3 out of 7 in 4irt

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Chlorine binding site 3 out of 7 in the Crystal Structure of A Putative Neuraminidase (BACOVA_03493) From Bacteroides Ovatus Atcc 8483 at 1.74 A Resolution


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 A Putative Neuraminidase (BACOVA_03493) From Bacteroides Ovatus Atcc 8483 at 1.74 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:44.8
occ:1.00
 N A:LEU23 3.1 15.3 1.0
O A:HOH911 3.2 29.4 1.0
O A:GLN21 3.7 31.0 0.7
CB A:LEU23 3.8 16.4 1.0
CA A:HIS22 3.8 19.4 1.0
CA A:LEU23 4.0 14.4 1.0
C A:HIS22 4.0 16.8 1.0
O A:GLN21 4.0 19.2 0.3
O A:LEU23 4.0 16.3 1.0
ND1 A:HIS22 4.1 22.5 1.0
CG A:LEU23 4.3 16.5 1.0
O A:HOH1009 4.5 37.9 1.0
C A:LEU23 4.5 14.9 1.0
CD1 A:LEU23 4.5 17.6 1.0
C A:GLN21 4.5 29.6 0.7
C A:GLN21 4.6 21.0 0.3
CG A:HIS22 4.6 20.9 1.0
N A:HIS22 4.7 21.3 1.0
CE1 A:HIS22 4.7 24.0 1.0
CB A:HIS22 4.8 20.2 1.0

Chlorine binding site 4 out of 7 in 4irt

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Chlorine binding site 4 out of 7 in the Crystal Structure of A Putative Neuraminidase (BACOVA_03493) From Bacteroides Ovatus Atcc 8483 at 1.74 A Resolution


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 A Putative Neuraminidase (BACOVA_03493) From Bacteroides Ovatus Atcc 8483 at 1.74 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:44.6
occ:1.00
 O A:HOH963 2.9 36.9 1.0
N A:GLN83 3.3 15.6 1.0
O A:HOH655 3.5 14.3 1.0
O A:GLN83 3.6 22.0 1.0
CA A:TYR82 3.7 15.9 1.0
CD1 A:TYR82 3.8 19.4 1.0
NZ A:LYS130 4.0 19.4 1.0
C A:TYR82 4.0 15.7 1.0
CB A:TYR82 4.1 16.1 1.0
CA A:GLN83 4.2 17.5 1.0
C A:GLN83 4.3 17.0 1.0
CB A:GLN83 4.3 20.2 1.0
O A:HOH862 4.4 37.2 1.0
O A:GLN81 4.5 17.2 1.0
CG A:TYR82 4.5 17.8 1.0
CE A:LYS130 4.6 17.3 1.0
CE1 A:TYR82 4.9 17.9 1.0
N A:TYR82 4.9 13.8 1.0

Chlorine binding site 5 out of 7 in 4irt

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Chlorine binding site 5 out of 7 in the Crystal Structure of A Putative Neuraminidase (BACOVA_03493) From Bacteroides Ovatus Atcc 8483 at 1.74 A Resolution


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 A Putative Neuraminidase (BACOVA_03493) From Bacteroides Ovatus Atcc 8483 at 1.74 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl505

b:37.9
occ:1.00
 O A:HOH702 2.8 21.2 1.0
N A:GLY340 2.9 20.4 0.5
N A:ALA277 2.9 17.4 1.0
N A:GLY340 3.0 19.7 0.5
CB A:ALA277 3.4 18.8 1.0
O A:HOH720 3.5 18.5 1.0
CB A:ASP276 3.6 14.7 1.0
O A:HOH710 3.6 19.6 1.0
OE1 A:GLU339 3.7 27.9 0.5
CA A:ALA277 3.8 18.6 1.0
CA A:GLY340 3.8 21.8 0.5
CA A:GLU339 3.8 19.6 0.5
CA A:GLU339 3.8 19.7 0.5
CA A:ASP276 3.8 14.3 1.0
C A:GLU339 3.8 20.6 1.0
CA A:GLY340 3.9 21.0 0.5
C A:ASP276 3.9 15.2 1.0
NH2 A:ARG395 4.0 15.3 1.0
O A:VAL338 4.2 19.4 1.0
CD A:GLU339 4.5 27.9 0.5
N A:GLU339 4.6 18.1 1.0
O A:GLY340 4.6 23.2 0.5
OE2 A:GLU339 4.6 29.3 0.5
CG A:ASP276 4.6 15.9 1.0
C A:VAL338 4.6 17.9 1.0
C A:GLY340 4.7 21.9 0.5
CZ A:ARG395 4.9 15.5 1.0
N A:GLY278 4.9 17.6 1.0
C A:ALA277 4.9 19.1 1.0
O A:HOH813 4.9 35.5 1.0
CB A:GLU339 4.9 22.6 0.5

Chlorine binding site 6 out of 7 in 4irt

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Chlorine binding site 6 out of 7 in the Crystal Structure of A Putative Neuraminidase (BACOVA_03493) From Bacteroides Ovatus Atcc 8483 at 1.74 A Resolution


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 A Putative Neuraminidase (BACOVA_03493) From Bacteroides Ovatus Atcc 8483 at 1.74 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl506

b:25.6
occ:1.00
 O A:HOH712 2.9 19.7 1.0
N A:VAL202 3.0 10.9 1.0
NZ A:LYS392 3.0 22.5 1.0
O A:HOH780 3.1 28.2 1.0
O A:VAL202 3.5 12.2 1.0
CD1 A:TYR201 3.6 11.4 1.0
CE A:LYS392 3.6 18.6 1.0
CE1 A:TYR201 3.8 11.6 1.0
CA A:VAL202 3.9 11.9 1.0
CA A:TYR201 3.9 10.7 1.0
C A:TYR201 3.9 12.9 1.0
CG A:TYR201 3.9 11.3 1.0
CB A:VAL202 4.0 12.2 1.0
CD1 A:TYR147 4.0 11.4 1.0
C A:VAL202 4.1 12.0 1.0
CD A:PRO148 4.2 14.2 1.0
OE2 A:GLU389 4.2 20.7 1.0
O A:HOH622 4.4 14.6 1.0
CZ A:TYR201 4.4 11.1 1.0
CG2 A:VAL202 4.5 12.5 1.0
CB A:TYR201 4.5 10.8 1.0
CD2 A:TYR201 4.5 10.8 1.0
CB A:TYR147 4.6 10.1 1.0
CE2 A:TYR201 4.7 12.4 1.0
CE1 A:TYR147 4.8 12.8 1.0
CG A:TYR147 4.8 10.7 1.0
CB A:THR388 4.8 11.7 1.0
CG A:PRO148 4.9 15.8 1.0
OG1 A:THR388 4.9 12.7 1.0

Chlorine binding site 7 out of 7 in 4irt

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Chlorine binding site 7 out of 7 in the Crystal Structure of A Putative Neuraminidase (BACOVA_03493) From Bacteroides Ovatus Atcc 8483 at 1.74 A Resolution


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 A Putative Neuraminidase (BACOVA_03493) From Bacteroides Ovatus Atcc 8483 at 1.74 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl507

b:25.0
occ:1.00
 O A:HOH725 3.2 17.5 1.0
N A:TRP307 3.2 15.2 1.0
SE A:MSE306 3.6 31.8 0.4
CA A:MSE306 3.8 20.0 0.5
CA A:MSE306 3.8 19.9 0.5
CB A:TRP307 4.0 12.6 1.0
C A:MSE306 4.0 17.3 1.0
CD1 A:TRP307 4.1 12.6 1.0
CA A:TRP307 4.1 13.7 1.0
CE A:MSE306 4.1 30.4 0.5
CB A:MSE306 4.1 22.0 0.5
O A:TRP307 4.3 13.7 1.0
CB A:MSE306 4.4 21.6 0.5
CG A:TRP307 4.4 12.2 1.0
CG A:MSE306 4.5 27.8 0.5
CG A:MSE306 4.6 28.9 0.5
C A:TRP307 4.7 13.6 1.0
O A:LYS305 4.9 20.7 1.0
O A:HOH697 4.9 16.3 1.0
O A:HOH752 4.9 18.3 1.0

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Sun Jul 21 17:01:33 2024

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