Structure of PDB 7xmb Chain A Binding Site BS05

Receptor Information
>7xmb Chain A (length=514) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFINRWLFSTNHKDIGTLYLLFGAWAGMVGTALSLLIRAELGQPGTLLGD
DQIYNVVVTAHAFVMIFFMVMPIMIGGFGNWLVPLMIGAPDMAFPRMNNM
SFWLLPPSFLLLLASSMVEAGAGTGWTVYPPLAGNLAHAGASVDLTIFSL
HLAGVSSILGAINFITTIINMKPPAMSQYQTPLFVWSVMITAVLLLLSLP
VLAAGITMLLTDRNLNTTFFDPAGGGDPILYQHLFWFFGHPEVYILILPG
FGMISHIVTYYSGKKEPFGYMGMVWAMMSIGFLGFIVWAHHMFTVGMDVD
TRAYFTSATMIIAIPTGVKVFSWLATLHGGNIKWSPAMMWALGFIFLFTV
GGLTGIVLANSSLDIVLHDTYYVVAHFHYVLSMGAVFAIMGGFVHWFPLF
SGYTLNDTWAKIHFAIMFVGVNMTFFPQHFLGLSGMPRRYSDYPDAYTMW
NTISSMGSFISLTAVMLMVFIIWEAFASKREVLTVDLTTTNLEWLNGCPP
PYHTFEEPTYVNLK
Ligand information
Ligand IDJ6X
InChIInChI=1S/C12H9NOS2/c1-7-6-15-12(13-7)11-10(14)8-4-2-3-5-9(8)16-11/h2-6,14H,1H3
InChIKeyCKTCKDPHWPJIPT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1csc(n1)c2c(c3ccccc3s2)O
CACTVS 3.385Cc1csc(n1)c2sc3ccccc3c2O
FormulaC12 H9 N O S2
Name2-(4-methyl-1,3-thiazol-2-yl)-1-benzothiophen-3-ol
ChEMBL
DrugBank
ZINCZINC000000169003
PDB chain7xmb Chain A Residue 608 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7xmb Identifying antibiotics based on structural differences in the conserved allostery from mitochondrial heme-copper oxidases.
Resolution2.2 Å
Binding residue
(original residue number in PDB)
V29 V56 V57 A60 F109 S116
Binding residue
(residue number reindexed from 1)
V29 V56 V57 A60 F109 S116
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.9: cytochrome-c oxidase.
Gene Ontology
Molecular Function
GO:0004129 cytochrome-c oxidase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0006119 oxidative phosphorylation
GO:0006123 mitochondrial electron transport, cytochrome c to oxygen
GO:0009060 aerobic respiration
GO:0015990 electron transport coupled proton transport
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0016020 membrane
GO:0045277 respiratory chain complex IV

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Molecular Function

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Biological Process

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Cellular Component
External links
PDB RCSB:7xmb, PDBe:7xmb, PDBj:7xmb
PDBsum7xmb
PubMed36481732
UniProtP00396|COX1_BOVIN Cytochrome c oxidase subunit 1 (Gene Name=MT-CO1)

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