Structure of PDB 2ciz Chain A Binding Site BS04

Receptor Information
>2ciz 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 IDMAN
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-PQMKYFCFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain2ciz Chain A Residue 1308 [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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PDB2ciz Crystal Structures of Chloroperoxidase with its Bound Substrates and Complexed with Formate, Acetate, and Nitrate.
Resolution1.3 Å
Binding residue
(original residue number in PDB)		Y150 D200 E201 F236 S239
Binding residue
(residue number reindexed from 1)		Y151 D201 E202 F237 S240
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:2ciz, PDBe:2ciz, PDBj:2ciz
PDBsum2ciz
PubMed16790441
UniProtP04963|PRXC_LEPFU Chloroperoxidase (Gene Name=CPO)

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