Structure of PDB 6ci0 Chain A Binding Site BS07

Receptor Information
>6ci0 Chain A (length=535) Species: 1063 (Cereibacter sphaeroides) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FTRWFMSTNHKDIGVLYLFTGGLVGLISVAFTVYMRMELMAPGVQFMCAE
HLESGLVKGFFQSLWPSAVENCTPNGHLWNVMITGHGILMMFFVVIPALF
GGFGNYFMPLHIGAPDMAFPRMNNLSYWLYVAGTSLAVASLFAPGGNGQL
GSGIGWVLYPPLSTSESGYSTDLAIFAVHLSGASSILGAINMITTFLNMR
APGMTMHKVPLFAWSIFVTAWLILLALPVLAGAITMLLTDRNFGTTFFQP
SGGGDPVLYQHILWFFGHPEVYIIVLPAFGIVSHVIATFAKKPIFGYLPM
VYAMVAIGVLGFVVWAHHMYTAGLSLTQQSYFMMATMVIAVPTGIKIFSW
IATMWGGSIELKTPMLWALGFLFLFTVGGVTGIVLSQASVDRYYHDTYYV
VAHFHYVMSLGAVFGIFAGIYFWIGKMSGRQYPEWAGKLHFWMMFVGANL
TFFPQHFLGRQGMPRRYIDYPEAFATWNFVSSLGAFLSFASFLFFLGVIF
YTLTRGARVTANNYWNEHADTLEWTLTSPPPEHTF
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain6ci0 Chain A Residue 615 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ci0 The K-path entrance in cytochrome c oxidase is defined by mutation of E101 and controlled by an adjacent ligand binding domain.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		H411 D412
Binding residue
(residue number reindexed from 1)		H395 D396
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H102 D132 W172 S200 S201 H284 E286 Y288 S299 H333 H334 T359 K362 R481
Catalytic site (residue number reindexed from 1) H86 D116 W156 S184 S185 H268 E270 Y272 S283 H317 H318 T343 K346 R465
Enzyme Commision number 7.1.1.9: cytochrome-c oxidase.
Gene Ontology
Molecular Function
GO:0004129 cytochrome-c oxidase activity
GO:0005515 protein binding
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0006119 oxidative phosphorylation
GO:0009060 aerobic respiration
GO:0015990 electron transport coupled proton transport
GO:0022904 respiratory electron transport chain
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005886 plasma 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:6ci0, PDBe:6ci0, PDBj:6ci0
PDBsum6ci0
PubMed29626419
UniProtP33517|COX1_CERSP Cytochrome c oxidase subunit 1 (Gene Name=ctaD)

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