Structure of PDB 2ciw Chain A Binding Site BS01

Receptor Information
>2ciw Chain A (length=299) Species: 5474 (Leptoxyphium fumago) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EEPGSGIGYPYDNNTLPYVAPGPTDSRAPCPALNALANHGYIPHDGRAIS
RETLQNAFLNHMGIANSVIELALTNAFVVCEYVTGSDCGDSLVNLTLLAE
PHAFEHDHSFSRKDYKQGVANSNDFIDNRNFDAETFQTSLDVVAGKTHFD
YADMNEIRLQRESLSNELDFPGWFTESKPIQNVESGFIFALVSDFNLPDN
DENPLVRIDWWKYWFTNESFPYHLGWHPPSPAREIEFVTSASSAVLAASV
TSTPSSLPSGAIGPGAEAVPLSFASTMTPFLLATNAPYYAQDPTLGPND
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain2ciw Chain A Residue 1299 [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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PDB2ciw Crystal Structures of Chloroperoxidase with its Bound Substrates and Complexed with Formate, Acetate, and Nitrate.
Resolution1.15 Å
Binding residue
(original residue number in PDB)		E104 H105 S108
Binding residue
(residue number reindexed from 1)		E105 H106 S109
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) C29 H105 D106 E183
Catalytic site (residue number reindexed from 1) C30 H106 D107 E184
Enzyme Commision number 1.11.1.10: chloride peroxidase.
Gene Ontology
Molecular Function
GO:0004601 peroxidase activity

View graph for
Molecular Function
External links
PDB RCSB:2ciw, PDBe:2ciw, PDBj:2ciw
PDBsum2ciw
PubMed16790441
UniProtP04963|PRXC_LEPFU Chloroperoxidase (Gene Name=CPO)

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