Structure of PDB 9bk4 Chain B Binding Site BS01
Receptor Information
>9bk4 Chain B (length=116) Species:
287
(Pseudomonas aeruginosa) [
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MEPTRIATNDRLSAAVCFDALVFLSGQVPGQAEDIHGQTREVLAKIDALL
AEAGSRKERILSATIYLKDIARDFAALNEVWTQWLPTGQAPSRTTVQAEL
ARPSVLVEITVVAARG
Ligand information
Ligand ID
PYR
InChI
InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
InChIKey
LCTONWCANYUPML-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.385
CC(=O)C(O)=O
OpenEye OEToolkits 1.7.6
CC(=O)C(=O)O
ACDLabs 12.01
O=C(C(=O)O)C
Formula
C3 H4 O3
Name
PYRUVIC ACID
ChEMBL
CHEMBL1162144
DrugBank
DB00119
ZINC
ZINC000001532517
PDB chain
9bk4 Chain B Residue 201 [
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Receptor-Ligand Complex Structure
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PDB
9bk4
Crystal structure of RidA family protein PA5083 from Pseudomonas aeruginosa with pyruvic acid bound
Resolution
2.08 Å
Binding residue
(original residue number in PDB)
R93 T94 T95
Binding residue
(residue number reindexed from 1)
R93 T94 T95
Annotation score
4
External links
PDB
RCSB:9bk4
,
PDBe:9bk4
,
PDBj:9bk4
PDBsum
9bk4
PubMed
UniProt
A0A069Q0R8
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