Structure of PDB 3ayf Chain A Binding Site BS04

Receptor Information
>3ayf Chain A (length=754) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTNSFLKSILIFTILISSTVLLVGGYWIFKEMAPRPKEVRSESGEVLMTK
ETIIGGQAVFQKYGLMDYGTVLGHGSYMGPDYTAEALKVYTEGMQDYKAK
ADLTDDEKSIIREQVIKEMRKNRYNPVTDVLVLTDAQVYGLEKVRDYYRD
VFTNGDGWGLKKGLIKESDMPKANRAWVADSDQIQQIADFFFWTAWLSST
LRIGDEITYTNNWPYYEDAGNTMSFSAVWWSGASVTILILFIGIILYVFY
RYQLSMQEAYAEGKFPVIDLRRQPLTPSQVKAGKYFVVVSALFFVQTMFG
ALLAHYYTEPDSFFGINWIYDILPFNIAKGYHLQLAIFWIATAWLGMGIF
IAPLVGGQEPKKQGLLVDLLFWALVVLVGGSMIGQWLGVNGYLGNEWFLL
GHQGWEYIELGRIWQIILVVGMLLWLFIVFRGVKRGLKRESDKGGLIHLL
FYSAIAVPFFYIFAFFIQPDTNFTMADFWRWWIIHLWVEGIFEVFAVVVI
GFLLVQLRLVTKKSTVRALYFQFTILLGSGVIGIGHHYYYNGSPEVWIAL
GAVFSALEVIPLTLLILEAYEQYKMMRDGGANFPYKATFWFLISTAIWNL
VGAGVFGFLINLPAVSYFEHGQFLTPAHGHAAMMGVYGMFAIAVLLYSLR
NIVKPEAWNDKWLKFSCWMLNIGLAGMVVITLLPVGILQMKEAFIHGYWA
SRSPSFLQQDVVQNLLLVRAVPDTIFLIGVVALLVFAIKALFHLRKPTHG
EGEE
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 chain3ayf Chain A Residue 804 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ayf Crystal structure of quinol-dependent nitric oxide reductase from Geobacillus stearothermophilus
Resolution2.5 Å
Binding residue
(original residue number in PDB)		G91 Y93 E429
Binding residue
(residue number reindexed from 1)		G75 Y77 E406
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004129 cytochrome-c oxidase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0009060 aerobic respiration
GO:0015990 electron transport coupled proton transport
GO:0022904 respiratory electron transport chain
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3ayf, PDBe:3ayf, PDBj:3ayf
PDBsum3ayf
PubMed22266822
UniProtB3Y963

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