Structure of PDB 8cft Chain D Binding Site BS04

Receptor Information
>8cft Chain D (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 IDSZ7
InChIInChI=1S/C9H10N2OS/c12-9(7-3-4-7)11-10-6-8-2-1-5-13-8/h1-2,5-7H,3-4H2,(H,11,12)/b10-6+
InChIKeyWQCIBERJKZYXCC-UXBLZVDNSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O=C(NN=Cc1sccc1)C2CC2
CACTVS 3.385O=C(N/N=C/c1sccc1)C2CC2
OpenEye OEToolkits 2.0.6c1cc(sc1)/C=N/NC(=O)C2CC2
OpenEye OEToolkits 2.0.6c1cc(sc1)C=NNC(=O)C2CC2
FormulaC9 H10 N2 O S
Name~{N}-[(~{E})-thiophen-2-ylmethylideneamino]cyclopropanecarboxamide
ChEMBL
DrugBank
ZINCZINC000000438924
PDB chain8cft Chain D Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8cft Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa in complex with fragment F2X-Entry G12
Resolution1.72 Å
Binding residue
(original residue number in PDB)		L396 H400 E403 Q404
Binding residue
(residue number reindexed from 1)		L388 H392 E395 Q396
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:8cft, PDBe:8cft, PDBj:8cft
PDBsum8cft
PubMed
UniProtQ9I685|SAHH_PSEAE Adenosylhomocysteinase (Gene Name=ahcY)

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