Structure of PDB 8iut Chain B Binding Site BS02

Receptor Information
>8iut Chain B (length=275) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIDLIVSQGRVADRAAWMIEGAARTARALEERYGLKGHYVGEPAPHADDD
WSVALPQARETLVAVREAATESIKGDNLTVLVNNTCSVSLATLPVVAREH
PDAVVLYIDGHGDFNTPETTDTGYLGGMVLSGACGLWDSGHGAGLRPEQA
VLVGSRDIDEGERELIRKAGVRVIPPGEATAQAVLDAVKDAPVWIHIDWD
VLEPGSIPADYTVPDGMLPAQIRAVFEAIPAERLIGVELAELNAPADSER
AEQAVAVILDMVAPAFDAAAARPLE
Ligand information
Ligand IDCU1
InChIInChI=1S/Cu/q+1
InChIKeyVMQMZMRVKUZKQL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0
[Cu+]
FormulaCu
NameCOPPER (I) ION
ChEMBL
DrugBank
ZINC
PDB chain8iut Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8iut Copper inactivates DcsB by oxidation of the Cys86 to cysteine sulfinic aicd
Resolution
Binding residue
(original residue number in PDB)
D109 H111 D200
Binding residue
(residue number reindexed from 1)
D109 H111 D200
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.3.25: N(omega)-hydroxy-L-arginine amidinohydrolase.
External links