Structure of PDB 2iwf Chain B Binding Site BS05

Receptor Information
>2iwf Chain B (length=590) Species: 223 (Achromobacter cycloclastes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADGSVAPGKLDDYYGFWSSGQTGEMRILGIPSMRELMRVPVFNRCSATGW
GQTNESIRIHQRTMTEKTKKQLAANGKKIHDNGDLHHVHMSFTDGKYDGR
YLFMNDKANTRVARVRCDVMKTDAILEIPNAKGIHGMRPQKWPRSNYVFC
NGEDEAPLVNDGSTMTDVATYVNIFTAVDADKWEVAWQVKVSGNLDNCDA
DYEGKWAFSTSYNSEMGMTLEEMTKSEMDHVVVFNIAEIEKAIKAGQYEE
INGVKVVDGRKEAKSLFTRYIPIANNPHGCNMAPDRKHLCVAGKLSPTVT
VLDVTKFDALFYDNAEPRSAVVAEPELGLGPLHTAFDGRGNAYTSLFLDS
QVVKWNIDEAIRAYAGEKINPIKDKLDVQYQPGHLKTVMGETLDAANDWL
VCLCKFSKDRFLNVGPLKPENDQLIDISGDKMVLVHDGPTFAEPHDAIAV
SPSILPNIRSVWDRNDPLWAETRKQAEADEVDIDEWTEAVIRDGNKVRVY
MTSVAPSFSQPSFTVKEGDEVTVIVTNLDEIDDLTHGFTMGNHGVAMEVG
PQQTSSVTFVAANPGVYWYYCQWFCHALHMEMRGRMFVEP
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain2iwf Chain B Residue 1606 [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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PDB2iwf Insight Into Catalysis of Nitrous Oxide Reductase from High-Resolution Structures of Resting and Inhibitor-Bound Enzyme from Achromobacter Cycloclastes.
Resolution1.86 Å
Binding residue
(original residue number in PDB)		Y219 E222 M230 T231 D236 N283
Binding residue
(residue number reindexed from 1)		Y212 E215 M223 T224 D229 N276
Annotation score1
Enzymatic activity
Enzyme Commision number 1.7.2.4: nitrous-oxide reductase.
Gene Ontology
Molecular Function
GO:0004129 cytochrome-c oxidase activity
GO:0005507 copper ion binding
GO:0005509 calcium ion binding
GO:0050304 nitrous-oxide reductase activity
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:2iwf, PDBe:2iwf, PDBj:2iwf
PDBsum2iwf
PubMed16904686
UniProtP94127|NOSZ_ACHCY Nitrous-oxide reductase (Gene Name=nosZ)

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