Structure of PDB 8cg0 Chain D Binding Site BS04

Receptor Information
>8cg0 Chain D (length=462) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGFTDYKVADITLAAWGRRELIIAESEMPALMGLRRKYAGQQPLKGAKIL
GCIHMTIQTGVLIETLVALGAEVRWSSCNIFSTQDQAAAAIAAAGIPVFA
WKGETEEEYEWCIEQTILKDGQPWDANMVLDDGGDLTEILHKKYPQMLER
IHGITEETTTGVHRLLDMLKNGTLKVPAINVNDSVTKSKNDNKYGCRHSL
NDAIKRGTDHLLSGKQALVIGYGDVGKGSSQSLRQEGMIVKVAEVDPICA
MQACMDGFEVVSPYKNGINDGTEASIDAALLGKIDLIVTTTGNVNVCDAN
MLKALKKRAVVCNIGHFDNEIDTAFMRKNWAWEEVKPQVHKIHRTGKDGF
DAHNDDYLILLAEGRLVNLGNATGHPSRIMDGSFANQVLAQIHLFEQKYA
DLPAAEKAKRLSVEVLPKKLDEEVALEMVKGFGGVVTQLTPKQAEYIGVS
VEGPFKPDTYRY
Ligand information
Ligand IDREG
InChIInChI=1S/C11H20N2O2/c14-11(13-9-4-1-2-5-9)12-8-10-6-3-7-15-10/h9-10H,1-8H2,(H2,12,13,14)/t10-/m0/s1
InChIKeyGZCFMEFTVSKHDE-JTQLQIEISA-N
SMILES
SoftwareSMILES
CACTVS 3.385O=C(NC[C@@H]1CCCO1)NC2CCCC2
OpenEye OEToolkits 2.0.6C1CCC(C1)NC(=O)NCC2CCCO2
OpenEye OEToolkits 2.0.6C1CCC(C1)NC(=O)NC[C@@H]2CCCO2
CACTVS 3.385O=C(NC[CH]1CCCO1)NC2CCCC2
FormulaC11 H20 N2 O2
Name1-cyclopentyl-3-[[(2~{S})-oxolan-2-yl]methyl]urea
ChEMBL
DrugBank
ZINCZINC000030984714
PDB chain8cg0 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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PDB8cg0 Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa in complex with fragment F2X-Entry H11
Resolution1.6 Å
Binding residue
(original residue number in PDB)		K44 Y45 L427 E430 E434
Binding residue
(residue number reindexed from 1)		K37 Y38 L420 E423 E427
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:8cg0, PDBe:8cg0, PDBj:8cg0
PDBsum8cg0
PubMed
UniProtQ9I685|SAHH_PSEAE Adenosylhomocysteinase (Gene Name=ahcY)

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