Structure of PDB 8cfh Chain B Binding Site BS04

Receptor Information
>8cfh Chain B (length=461) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GFTDYKVADITLAAWGRRELIIAESEMPALMGLRRKYAGQQPLKGAKILG
CIHMTIQTGVLIETLVALGAEVRWSSCNIFSTQDQAAAAIAAAGIPVFAW
KGETEEEYEWCIEQTILKDGQPWDANMVLDDGGDLTEILHKKYPQMLERI
HGITEETTTGVHRLLDMLKNGTLKVPAINVNDSVTKSKNDNKYGCRHSLN
DAIKRGTDHLLSGKQALVIGYGDVGKGSSQSLRQEGMIVKVAEVDPICAM
QACMDGFEVVSPYKNGINDGTEASIDAALLGKIDLIVTTTGNVNVCDANM
LKALKKRAVVCNIGHFDNEIDTAFMRKNWAWEEVKPQVHKIHRTGKDGFD
AHNDDYLILLAEGRLVNLGNATGHPSRIMDGSFANQVLAQIHLFEQKYAD
LPAAEKAKRLSVEVLPKKLDEEVALEMVKGFGGVVTQLTPKQAEYIGVSV
EGPFKPDTYRY
Ligand information
Ligand IDR8V
InChIInChI=1S/C9H9NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5,8,11H,1H3/t8-/m0/s1
InChIKeyUCEXMNLISKKYAE-QMMMGPOBSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CN1[CH](O)c2ccccc2C1=O
CACTVS 3.385CN1[C@@H](O)c2ccccc2C1=O
ACDLabs 12.01c1cc2c(cc1)C(N(C)C2O)=O
OpenEye OEToolkits 2.0.6CN1[C@H](c2ccccc2C1=O)O
OpenEye OEToolkits 2.0.6CN1C(c2ccccc2C1=O)O
FormulaC9 H9 N O2
Name(3S)-3-hydroxy-2-methyl-2,3-dihydro-1H-isoindol-1-one
ChEMBL
DrugBank
ZINCZINC000000335289
PDB chain8cfh Chain B Residue 509 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8cfh Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa in complex with fragment F2X-Entry C08
Resolution1.6 Å
Binding residue
(original residue number in PDB)		D465 T466 R468
Binding residue
(residue number reindexed from 1)		D457 T458 R460
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:8cfh, PDBe:8cfh, PDBj:8cfh
PDBsum8cfh
PubMed
UniProtQ9I685|SAHH_PSEAE Adenosylhomocysteinase (Gene Name=ahcY)

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