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Chlorine in PDB 3uwd: Crystal Structure of Phosphoglycerate Kinase From Bacillus Anthracis

Enzymatic activity of Crystal Structure of Phosphoglycerate Kinase From Bacillus Anthracis

All present enzymatic activity of Crystal Structure of Phosphoglycerate Kinase From Bacillus Anthracis:
2.7.2.3;

Protein crystallography data

The structure of Crystal Structure of Phosphoglycerate Kinase From Bacillus Anthracis, PDB code: 3uwd was solved by H.Zheng, M.Chruszcz, P.Porebski, M.Kudritska, S.Grimshaw, A.Savchenko, W.F.Anderson, W.Minor, Center For Structural Genomics Of Infectiousdiseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.68
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 119.687, 45.334, 68.607, 90.00, 97.95, 90.00
R / Rfree (%) 17.4 / 21.3

Other elements in 3uwd:

The structure of Crystal Structure of Phosphoglycerate Kinase From Bacillus Anthracis also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Phosphoglycerate Kinase From Bacillus Anthracis (pdb code 3uwd). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Phosphoglycerate Kinase From Bacillus Anthracis, PDB code: 3uwd:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 3uwd

Go back to Chlorine Binding Sites List in 3uwd
Chlorine binding site 1 out of 5 in the Crystal Structure of Phosphoglycerate Kinase From Bacillus Anthracis


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 Phosphoglycerate Kinase From Bacillus Anthracis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl395

b:9.4
occ:0.50
 O A:HOH411 3.1 11.2 1.0
NE A:ARG206 3.1 9.2 1.0
CE1 A:PHE249 3.6 9.5 1.0
CD A:ARG206 3.9 9.1 1.0
CD2 A:LEU245 3.9 11.7 0.5
CG A:ARG206 3.9 8.6 1.0
CD1 A:LEU245 4.0 10.9 0.5
NH2 A:ARG206 4.0 9.4 1.0
CZ A:ARG206 4.0 9.1 1.0
CZ A:PHE249 4.2 9.3 1.0
CD1 A:PHE249 4.5 9.3 1.0
CB A:ARG206 4.5 7.9 1.0

Chlorine binding site 2 out of 5 in 3uwd

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Chlorine binding site 2 out of 5 in the Crystal Structure of Phosphoglycerate Kinase From Bacillus Anthracis


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 Phosphoglycerate Kinase From Bacillus Anthracis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl396

b:13.6
occ:1.00
 O A:HOH512 3.0 19.9 1.0
N A:GLY220 3.2 9.6 1.0
O A:HOH529 3.2 21.6 1.0
O A:HOH482 3.3 15.9 1.0
C A:GLY195 3.6 10.3 1.0
N A:ALA196 3.6 11.4 1.0
CA A:GLY219 3.8 10.0 1.0
CA A:GLY320 3.8 10.5 1.0
CA A:ALA196 3.8 12.5 1.0
C A:GLY320 3.8 10.9 1.0
O A:GLY195 3.8 10.0 1.0
C A:GLY219 4.0 9.5 1.0
CA A:GLY195 4.0 9.8 1.0
O A:GLY320 4.1 11.0 1.0
N A:VAL321 4.1 11.5 1.0
N A:GLY320 4.1 10.2 1.0
CA A:GLY220 4.1 9.3 1.0
CB A:ALA196 4.2 13.5 1.0
CG2 A:VAL321 4.2 12.4 1.0
O A:PRO318 4.6 9.2 1.0
N A:GLY195 4.6 9.0 1.0
O A:HOH486 4.6 20.9 1.0
O A:HOH583 4.7 27.4 1.0
C A:MSE319 4.7 10.0 1.0
CA A:VAL321 4.8 12.1 1.0
CG A:PRO318 4.9 10.2 1.0
O A:HOH413 4.9 11.1 1.0
O A:HOH420 4.9 11.7 1.0
O A:HOH550 5.0 30.0 1.0

Chlorine binding site 3 out of 5 in 3uwd

Go back to Chlorine Binding Sites List in 3uwd
Chlorine binding site 3 out of 5 in the Crystal Structure of Phosphoglycerate Kinase From Bacillus Anthracis


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 Phosphoglycerate Kinase From Bacillus Anthracis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl397

b:34.8
occ:1.00
 O A:HOH562 3.4 34.3 1.0
NZ A:LYS256 3.6 22.0 1.0
CA A:LYS256 3.8 19.0 1.0
O A:LYS256 3.9 18.5 1.0
O1 A:BTB401 3.9 26.9 0.7
CB A:LYS256 4.0 18.6 1.0
CG A:LYS256 4.2 19.5 1.0
O6 A:BTB401 4.2 19.6 0.7
CE A:LYS256 4.2 20.0 1.0
C A:LYS256 4.3 18.4 1.0
O A:GLU255 4.6 18.5 1.0
CD A:LYS256 4.8 19.7 1.0
N A:LYS256 4.9 19.1 1.0

Chlorine binding site 4 out of 5 in 3uwd

Go back to Chlorine Binding Sites List in 3uwd
Chlorine binding site 4 out of 5 in the Crystal Structure of Phosphoglycerate Kinase From Bacillus Anthracis


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 Phosphoglycerate Kinase From Bacillus Anthracis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl398

b:26.7
occ:1.00
 O A:HOH678 2.9 34.7 1.0
N A:SER353 3.1 14.3 1.0
O A:HOH596 3.2 33.4 1.0
N A:GLY317 3.3 10.2 1.0
C A:GLY350 3.4 17.4 0.7
O A:GLY350 3.4 16.4 0.3
CA A:GLY350 3.4 16.6 0.7
O A:HOH440 3.4 11.1 1.0
N A:ASP352 3.4 17.2 1.0
OG A:SER353 3.6 13.8 1.0
O A:GLY350 3.6 17.3 0.7
CA A:GLY317 3.7 10.0 1.0
CB A:SER353 3.8 13.5 1.0
N A:GLY351 3.8 17.6 0.7
CB A:ASP352 3.9 18.0 1.0
CA A:ASP352 3.9 17.0 1.0
C A:ASP352 3.9 15.6 1.0
C A:ASN316 4.0 10.2 1.0
O A:HOH700 4.0 37.4 1.0
N A:GLY350 4.0 15.8 0.7
CA A:SER353 4.0 13.9 1.0
CA A:ASN316 4.1 10.7 1.0
C A:GLY351 4.3 17.7 0.3
C A:GLY351 4.3 18.1 0.7
C A:GLY350 4.5 16.9 0.3
CA A:GLY351 4.6 18.6 0.7
O A:GLY349 4.7 14.4 0.3
CB A:ASN316 4.8 11.5 1.0
CD A:PRO318 4.8 10.2 1.0
OD1 A:ASN316 4.8 15.6 1.0
CA A:GLY351 4.9 18.1 0.3
C A:GLY349 4.9 14.5 0.3
O A:ASN316 4.9 9.8 1.0
C A:GLY317 4.9 9.7 1.0
O A:HOH551 4.9 32.4 1.0

Chlorine binding site 5 out of 5 in 3uwd

Go back to Chlorine Binding Sites List in 3uwd
Chlorine binding site 5 out of 5 in the Crystal Structure of Phosphoglycerate Kinase From Bacillus Anthracis


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 Phosphoglycerate Kinase From Bacillus Anthracis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl399

b:19.9
occ:1.00
 O A:HOH446 2.9 18.5 1.0
O A:HOH449 2.9 20.3 1.0
N A:GLU186 3.3 17.9 1.0
CE A:LYS180 3.4 19.6 0.5
NZ A:LYS180 3.4 18.8 0.5
CD A:LYS180 3.6 18.8 0.5
CD2 A:LEU312 3.6 12.3 1.0
CG A:LYS180 3.7 17.8 0.5
CD1 A:LEU312 3.7 12.8 1.0
CA A:PRO185 3.8 16.9 1.0
CG A:GLU186 3.8 20.5 1.0
CG A:LEU312 4.0 12.4 1.0
CB A:LEU312 4.0 13.0 1.0
C A:PRO185 4.0 17.7 1.0
CB A:GLU186 4.1 19.2 1.0
NZ A:LYS180 4.1 20.7 0.5
CD A:LYS180 4.2 18.9 0.5
O A:HOH510 4.3 20.1 1.0
CA A:GLU186 4.3 18.4 1.0
CE A:LYS180 4.4 19.8 0.5
CG A:LYS180 4.4 18.0 0.5
O A:ASN184 4.5 19.8 0.5
CB A:PRO185 4.5 15.5 1.0
O A:ASN184 4.6 19.8 0.5
CB A:LYS180 4.7 17.3 0.5
CA A:ALA181 4.7 13.9 1.0
CB A:LYS180 4.8 17.1 0.5
N A:ALA181 4.8 14.6 1.0
OE2 A:GLU186 4.8 23.4 1.0
CD A:GLU186 4.8 22.4 1.0
C A:LYS180 4.9 15.4 1.0
N A:PRO185 4.9 17.3 1.0
O A:LYS180 4.9 15.6 1.0

Reference:

H.Zheng, E.V.Filippova, K.L.Tkaczuk, P.Dworzynski, M.Chruszcz, P.J.Porebski, Z.Wawrzak, O.Onopriyenko, M.Kudritska, S.Grimshaw, A.Savchenko, W.F.Anderson, W.Minor. Crystal Structures of Putative Phosphoglycerate Kinases From B. Anthracis and C. Jejuni. J.Struct.Funct.Genom. V. 13 15 2012.
ISSN: ISSN 1345-711X
PubMed: 22403005
DOI: 10.1007/S10969-012-9131-9
Page generated: Sat Dec 12 10:16:16 2020

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