Structure of PDB 4wgf Chain D Binding Site BS02
Receptor Information
>4wgf Chain D (length=202) Species:
208964
(Pseudomonas aeruginosa PAO1) [
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SFTYKRLDKNDAAVLFVDHQAGLLSLVRDFSPDEFKNNVLALADIARFFN
LPTILTTSFEDGPNGPLVPELKEMFPQAPYIARPGNINAWDNEDFVKAVK
ATGKKQLIIAGVVTDVCVAFPTLSALEEGFDVFVVTDASGTFNPVVRDAA
WARMTAAGAQLMNWFSVGCELHRDWRNDIEGFGAILGGHLPAYANLIQSF
GT
Ligand information
Ligand ID
HX2
InChI
InChI=1S/C6H14O2/c1-5(7)3-4-6(2)8/h5-8H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKey
OHMBHFSEKCCCBW-PHDIDXHHSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.0
C[C@H](CC[C@@H](C)O)O
CACTVS 3.370
C[C@@H](O)CC[C@@H](C)O
ACDLabs 12.01
OC(C)CCC(O)C
OpenEye OEToolkits 1.7.0
CC(CCC(C)O)O
CACTVS 3.370
C[CH](O)CC[CH](C)O
Formula
C6 H14 O2
Name
(2R,5R)-hexane-2,5-diol
ChEMBL
DrugBank
ZINC
ZINC000000388716
PDB chain
4wgf Chain D Residue 302 [
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Receptor-Ligand Complex Structure
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PDB
4wgf
Crystal Structure of a Hidden Protein, YcaC, a Putative Cysteine Hydrolase from Pseudomonas aeruginosa, with and without an Acrylamide Adduct.
Resolution
2.34021 Å
Binding residue
(original residue number in PDB)
P192 N196
Binding residue
(residue number reindexed from 1)
P191 N195
Annotation score
1
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0016787
hydrolase activity
View graph for
Molecular Function
External links
PDB
RCSB:4wgf
,
PDBe:4wgf
,
PDBj:4wgf
PDBsum
4wgf
PubMed
26184183
UniProt
Q9I4D6
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