Structure of PDB 5hwh Chain A Binding Site BS01

Receptor Information
>5hwh Chain A (length=175) Species: 273678 (Microbacterium hydrocarbonoxydans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PRRTVVLAIDLQAGVTPGCFDEEGVLSRAAALVERARAGGVPVVWVHHDP
VGVGTPEWELAAPLHRAEGEPLVRKNYRDSFADTTLRETLDELGATHLVI
TGAQSDFAVRTTMQRAAAEGYDVTLVSDAHTTVDTEWEGVRISGEQIVAH
TNMYFSGLRYPGQEFVIATHDHVAL
Ligand information
Ligand ID66Z
InChIInChI=1S/C6H7NO/c8-6-4-1-2-5(3-4)7-6/h1-2,4-5H,3H2,(H,7,8)/t4-,5+/m1/s1
InChIKeyDDUFYKNOXPZZIW-UHNVWZDZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.4C1[C@H]2C=C[C@@H]1NC2=O
CACTVS 3.385O=C1N[C@@H]2C[C@H]1C=C2
CACTVS 3.385O=C1N[CH]2C[CH]1C=C2
OpenEye OEToolkits 2.0.4C1C2C=CC1NC2=O
FormulaC6 H7 N O
Name(1~{S},4~{R})-3-azabicyclo[2.2.1]hept-5-en-2-one
ChEMBL
DrugBank
ZINCZINC000000158453
PDB chain5hwh Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5hwh Structure of a cysteine hydrolase
Resolution1.79 Å
Binding residue
(original residue number in PDB)		D13 H51 Q107 A111
Binding residue
(residue number reindexed from 1)		D10 H48 Q104 A108
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:5hwh, PDBe:5hwh, PDBj:5hwh
PDBsum5hwh
PubMed
UniProtA0A0K0XHU0

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