Structure of PDB 1gu6 Chain C Binding Site BS01

Receptor Information
>1gu6 Chain C (length=441) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VEAKNETFAPQHPDQYLSWKATSEQSERVDALAEDPRLVILWAGYPFSRD
YNKPRGHAFAVTDVRETLRTGAPKNAEDGPLPMACWSCKSPDVARLIQKD
GEDGYFHGKWARGGPEIVNNLGCADCHNTASPEFAKGKPELTLSRPYAAR
AMEAIGKPFEKAGRFDQQSMVCGQCHVEYYFDGKNKAVKFPWDDGMKVEN
MEQYYDKIAFSDWTNSLSKTPMLKAQHPEYETWTAGIHGKNNVTCIDCHM
PKVQNAEGKLYTDHKIGNPFDNFAQTCANCHTQDKAALQKVVAERKQSIN
DLKIKVEDQLVHAHFEAKAALDAGATEAEMKPIQDDIRHAQWRWDLAIAS
HGIHMHAPEEGLRMLGTAMDKAADARTKLARLLATKGITHEIQIPDISTK
EKAQQAIGLNMEQIKAEKQDFIKTVIPQWEEQARKNGLLSQ
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 chain1gu6 Chain C Residue 1479 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1gu6 Structure and Spectroscopy of the Periplasmic Cytochrome C Nitrite Reductase from Escherichia Coli
Resolution2.5 Å
Binding residue
(original residue number in PDB)		E215 Y216 K261 Q263
Binding residue
(residue number reindexed from 1)		E178 Y179 K224 Q226
Annotation score1
Enzymatic activity
Enzyme Commision number 1.7.2.2: nitrite reductase (cytochrome; ammonia-forming).
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0005509 calcium ion binding
GO:0016491 oxidoreductase activity
GO:0016966 nitric oxide reductase activity
GO:0020037 heme binding
GO:0042279 nitrite reductase (cytochrome, ammonia-forming) activity
GO:0046872 metal ion binding
Biological Process
GO:0009061 anaerobic respiration
GO:0019645 anaerobic electron transport chain
GO:0042128 nitrate assimilation
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1gu6, PDBe:1gu6, PDBj:1gu6
PDBsum1gu6
PubMed11863430
UniProtP0ABK9|NRFA_ECOLI Cytochrome c-552 (Gene Name=nrfA)

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