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Potassium in PDB 7abn: Structure of the Reversible Pyrrole-2-Carboxylic Acid Decarboxylase PA0254/Huda

Protein crystallography data

The structure of Structure of the Reversible Pyrrole-2-Carboxylic Acid Decarboxylase PA0254/Huda, PDB code: 7abn was solved by D.Leys, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 53.64 / 1.65
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 107.81, 55.48, 199.53, 90, 99.92, 90
R / Rfree (%) 20.1 / 23.5

Other elements in 7abn:

The structure of Structure of the Reversible Pyrrole-2-Carboxylic Acid Decarboxylase PA0254/Huda also contains other interesting chemical elements:

Manganese (Mn) 4 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Structure of the Reversible Pyrrole-2-Carboxylic Acid Decarboxylase PA0254/Huda (pdb code 7abn). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the Structure of the Reversible Pyrrole-2-Carboxylic Acid Decarboxylase PA0254/Huda, PDB code: 7abn:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in 7abn

Go back to Potassium Binding Sites List in 7abn
Potassium binding site 1 out of 4 in the Structure of the Reversible Pyrrole-2-Carboxylic Acid Decarboxylase PA0254/Huda


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Structure of the Reversible Pyrrole-2-Carboxylic Acid Decarboxylase PA0254/Huda within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K502

b:15.3
occ:1.00
 OE2 D:GLU229 2.7 10.4 1.0
O D:MET221 2.8 13.4 1.0
O D:ALA219 2.9 10.9 1.0
O3P D:4LU503 2.9 13.4 1.0
O5' D:4LU503 2.9 14.8 1.0
O D:ALA218 2.9 13.3 1.0
O D:TRP166 3.2 15.8 1.0
P D:4LU503 3.4 13.6 1.0
C D:ALA219 3.4 13.2 1.0
CD D:GLU229 3.5 14.1 1.0
CG D:GLU229 3.5 15.6 1.0
O D:HOH648 3.5 12.3 1.0
O2P D:4LU503 3.6 15.1 1.0
CA D:ALA219 3.7 12.7 1.0
MN D:MN501 3.7 14.4 1.0
N D:MET221 3.8 12.1 1.0
C D:MET221 3.8 12.2 1.0
O4' D:4LU503 4.0 14.0 1.0
C D:ALA218 4.0 13.3 1.0
C4' D:4LU503 4.1 13.2 1.0
C5' D:4LU503 4.1 13.2 1.0
C D:TRP166 4.3 13.4 1.0
CA D:MET221 4.4 12.8 1.0
CA D:SER167 4.4 13.2 1.0
CB D:SER167 4.4 13.3 1.0
N D:GLY220 4.4 13.1 1.0
N D:ALA219 4.4 12.6 1.0
OE1 D:GLU229 4.4 13.0 1.0
C D:GLY220 4.7 13.5 1.0
O1P D:4LU503 4.7 15.0 1.0
CB D:MET221 4.8 14.3 1.0
N D:SER167 4.8 13.8 1.0
N D:PRO222 4.9 11.4 1.0
CB D:ALA219 4.9 12.4 1.0
CA D:GLY220 4.9 12.6 1.0
O D:HOH623 5.0 12.7 1.0
N D:LEU223 5.0 12.2 1.0
CD2 D:LEU223 5.0 19.0 1.0

Potassium binding site 2 out of 4 in 7abn

Go back to Potassium Binding Sites List in 7abn
Potassium binding site 2 out of 4 in the Structure of the Reversible Pyrrole-2-Carboxylic Acid Decarboxylase PA0254/Huda


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Structure of the Reversible Pyrrole-2-Carboxylic Acid Decarboxylase PA0254/Huda within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K502

b:15.1
occ:1.00
 OE2 A:GLU229 2.7 13.7 1.0
O A:MET221 2.7 13.5 1.0
O3P A:4LU503 2.9 14.4 1.0
O5' A:4LU503 2.9 14.2 1.0
O A:ALA218 2.9 12.1 1.0
O A:ALA219 2.9 11.6 1.0
O A:TRP166 3.1 15.2 1.0
C A:ALA219 3.4 11.6 1.0
CD A:GLU229 3.4 13.7 1.0
O A:HOH659 3.5 13.8 1.0
P A:4LU503 3.6 15.0 1.0
CG A:GLU229 3.6 15.5 1.0
CA A:ALA219 3.6 11.7 1.0
MN A:MN501 3.8 15.2 1.0
C A:MET221 3.8 11.3 1.0
N A:MET221 3.8 11.3 1.0
C A:ALA218 3.9 10.2 1.0
O2P A:4LU503 4.0 15.8 1.0
C5' A:4LU503 4.0 13.0 1.0
O4' A:4LU503 4.0 13.5 1.0
C4' A:4LU503 4.1 12.7 1.0
C A:TRP166 4.2 13.7 1.0
N A:ALA219 4.2 11.5 1.0
CA A:SER167 4.3 13.1 1.0
N A:GLY220 4.3 12.8 1.0
CA A:MET221 4.4 11.8 1.0
CB A:SER167 4.4 13.9 1.0
OE1 A:GLU229 4.4 13.7 1.0
CD2 A:LEU223 4.6 26.7 1.0
C A:GLY220 4.7 13.5 1.0
N A:SER167 4.7 14.6 1.0
CB A:MET221 4.8 13.2 1.0
CA A:GLY220 4.8 12.0 1.0
N A:PRO222 4.9 12.2 1.0
O1P A:4LU503 4.9 15.2 1.0
CB A:ALA219 4.9 13.1 1.0
N A:LEU223 4.9 13.3 1.0
O A:HOH744 5.0 15.7 1.0

Potassium binding site 3 out of 4 in 7abn

Go back to Potassium Binding Sites List in 7abn
Potassium binding site 3 out of 4 in the Structure of the Reversible Pyrrole-2-Carboxylic Acid Decarboxylase PA0254/Huda


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Structure of the Reversible Pyrrole-2-Carboxylic Acid Decarboxylase PA0254/Huda within 5.0Å range:
probe atom residue distance (Å) B Occ
H:K502

b:16.0
occ:1.00
 OE2 H:GLU229 2.6 12.8 1.0
O H:MET221 2.7 15.3 1.0
O5' H:4LU503 2.9 14.2 1.0
O H:ALA219 2.9 12.5 1.0
O3P H:4LU503 2.9 13.6 1.0
O H:ALA218 3.0 13.8 1.0
O H:TRP166 3.1 14.6 1.0
CD H:GLU229 3.4 17.6 1.0
C H:ALA219 3.5 14.3 1.0
P H:4LU503 3.5 16.5 1.0
O H:HOH639 3.5 13.0 1.0
CG H:GLU229 3.6 16.6 1.0
C H:MET221 3.7 14.4 1.0
MN H:MN501 3.7 14.6 1.0
CA H:ALA219 3.7 12.8 1.0
O2P H:4LU503 3.8 16.1 1.0
N H:MET221 3.9 14.5 1.0
O4' H:4LU503 4.0 16.3 1.0
C H:ALA218 4.0 12.8 1.0
C5' H:4LU503 4.0 14.1 1.0
C4' H:4LU503 4.1 13.1 1.0
C H:TRP166 4.3 15.7 1.0
CA H:MET221 4.3 13.0 1.0
CA H:SER167 4.3 15.5 1.0
N H:ALA219 4.3 14.3 1.0
CB H:SER167 4.3 16.6 1.0
N H:GLY220 4.4 13.4 1.0
OE1 H:GLU229 4.5 16.5 1.0
C H:GLY220 4.7 13.9 1.0
N H:SER167 4.8 16.1 1.0
N H:PRO222 4.8 13.2 1.0
CD2 H:LEU223 4.8 26.9 1.0
O1P H:4LU503 4.9 14.8 1.0
CA H:GLY220 4.9 13.6 1.0
CB H:MET221 4.9 15.2 1.0
N H:LEU223 4.9 14.6 1.0
CB H:ALA219 5.0 16.2 1.0
O H:HOH644 5.0 14.4 1.0

Potassium binding site 4 out of 4 in 7abn

Go back to Potassium Binding Sites List in 7abn
Potassium binding site 4 out of 4 in the Structure of the Reversible Pyrrole-2-Carboxylic Acid Decarboxylase PA0254/Huda


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Structure of the Reversible Pyrrole-2-Carboxylic Acid Decarboxylase PA0254/Huda within 5.0Å range:
probe atom residue distance (Å) B Occ
M:K503

b:15.9
occ:1.00
 O M:MET221 2.6 15.4 1.0
OE2 M:GLU229 2.7 12.0 1.0
O M:ALA219 2.8 12.9 1.0
O5' M:4LU504 2.9 15.2 1.0
O M:ALA218 3.0 12.9 1.0
O3P M:4LU504 3.0 15.6 1.0
O M:TRP166 3.1 15.6 1.0
C M:ALA219 3.4 12.6 1.0
CD M:GLU229 3.5 16.5 1.0
P M:4LU504 3.5 14.3 1.0
O M:HOH617 3.6 13.3 1.0
CG M:GLU229 3.6 16.2 1.0
C M:MET221 3.7 15.5 1.0
CA M:ALA219 3.7 13.6 1.0
MN M:MN502 3.8 15.3 1.0
O2P M:4LU504 3.8 14.2 1.0
N M:MET221 3.8 11.7 1.0
O4' M:4LU504 4.0 15.4 1.0
C M:ALA218 4.1 14.9 1.0
C5' M:4LU504 4.1 13.8 1.0
C4' M:4LU504 4.1 13.6 1.0
C M:TRP166 4.2 15.1 1.0
CA M:SER167 4.3 12.7 1.0
CA M:MET221 4.3 13.7 1.0
CB M:SER167 4.3 13.3 1.0
N M:GLY220 4.3 12.2 1.0
N M:ALA219 4.4 12.6 1.0
OE1 M:GLU229 4.5 16.0 1.0
C M:GLY220 4.6 13.2 1.0
N M:SER167 4.8 14.1 1.0
CB M:MET221 4.8 15.4 1.0
N M:PRO222 4.8 13.4 1.0
CD2 M:LEU223 4.8 27.6 1.0
O1P M:4LU504 4.8 18.4 1.0
CA M:GLY220 4.9 11.9 1.0
N M:LEU223 4.9 15.3 1.0
CB M:ALA219 4.9 13.2 1.0
O M:HOH708 5.0 13.7 1.0

Reference:

K.A.P.Payne, S.A.Marshall, K.Fisher, S.E.J.Rigby, M.J.Cliff, R.Spiess, D.M.Cannas, I.Larrosa, S.Hay, D.Leys. Structure and Mechanism of Pseudomonas Aeruginosa PA0254/Huda, A Prfmn-Dependent Pyrrole-2-Carboxylic Acid Decarboxylase Linked to Virulence. Acs Catalysis V. 11 2865 2021.
ISSN: ESSN 2155-5435
PubMed: 33763291
DOI: 10.1021/ACSCATAL.0C05042
Page generated: Mon Aug 12 18:36:04 2024

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