Structure of PDB 2cj0 Chain A Binding Site BS11

Receptor Information
>2cj0 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 IDNO3
InChIInChI=1S/NO3/c2-1(3)4/q-1
InChIKeyNHNBFGGVMKEFGY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		[O-][N+]([O-])=O
OpenEye OEToolkits 1.5.0[N+](=O)([O-])[O-]
FormulaN O3
NameNITRATE ION
ChEMBLCHEMBL186200
DrugBankDB14049
ZINC
PDB chain2cj0 Chain A Residue 1323 [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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PDB2cj0 Crystal Structures of Chloroperoxidase with its Bound Substrates and Complexed with Formate, Acetate, and Nitrate.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		F103 I179 V182 E183 F186
Binding residue
(residue number reindexed from 1)		F104 I180 V183 E184 F187
Annotation score3
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:2cj0, PDBe:2cj0, PDBj:2cj0
PDBsum2cj0
PubMed16790441
UniProtP04963|PRXC_LEPFU Chloroperoxidase (Gene Name=CPO)

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