Structure of PDB 8cfp Chain A Binding Site BS04

Receptor Information
>8cfp Chain A (length=464) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPAGFTDYKVADITLAAWGRRELIIAESEMPALMGLRRKYAGQQPLKGAK
ILGCIHMTIQTGVLIETLVALGAEVRWSSCNIFSTQDQAAAAIAAAGIPV
FAWKGETEEEYEWCIEQTILKDGQPWDANMVLDDGGDLTEILHKKYPQML
ERIHGITEETTTGVHRLLDMLKNGTLKVPAINVNDSVTKSKNDNKYGCRH
SLNDAIKRGTDHLLSGKQALVIGYGDVGKGSSQSLRQEGMIVKVAEVDPI
CAMQACMDGFEVVSPYKNGINDGTEASIDAALLGKIDLIVTTTGNVNVCD
ANMLKALKKRAVVCNIGHFDNEIDTAFMRKNWAWEEVKPQVHKIHRTGKD
GFDAHNDDYLILLAEGRLVNLGNATGHPSRIMDGSFANQVLAQIHLFEQK
YADLPAAEKAKRLSVEVLPKKLDEEVALEMVKGFGGVVTQLTPKQAEYIG
VSVEGPFKPDTYRY
Ligand information
Ligand IDUI4
InChIInChI=1S/C11H9NO/c13-10-6-4-9(5-7-10)11-3-1-2-8-12-11/h1-8,13H
InChIKeyVQHMPVXKDCHHSR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Oc1ccc(cc1)c2ccccn2
OpenEye OEToolkits 2.0.7c1ccnc(c1)c2ccc(cc2)O
FormulaC11 H9 N O
Name4-pyridin-2-ylphenol
ChEMBL
DrugBank
ZINC
PDB chain8cfp Chain A Residue 505 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8cfp Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa in complex with fragment F2X-Entry F09
Resolution1.61 Å
Binding residue
(original residue number in PDB)		K200 K234 Q238 D263
Binding residue
(residue number reindexed from 1)		K195 K229 Q233 D258
Annotation score1
Enzymatic activity
Enzyme Commision number 3.13.2.1: adenosylhomocysteinase.
Gene Ontology
Molecular Function
GO:0004013 adenosylhomocysteinase activity
GO:0016787 hydrolase activity
Biological Process
GO:0006730 one-carbon metabolic process
GO:0033353 S-adenosylmethionine cycle
GO:0071269 L-homocysteine biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8cfp, PDBe:8cfp, PDBj:8cfp
PDBsum8cfp
PubMed
UniProtQ9I685|SAHH_PSEAE Adenosylhomocysteinase (Gene Name=ahcY)

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