Structure of PDB 5weh Chain A Binding Site BS04

Receptor Information

>5weh Chain A (length=547) Species: 1063 (Cereibacter sphaeroides) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

RGFFTRWFMSTNHKDIGVLYLFTGGLVGLISVAFTVYMRMELMAPGVQFM
CAEHLESGLVKGFFQSLWPSAVENCTPNGHLWNVMITGHGILMMFFVVIP
ALFGGFGNYFMPLHIGAPDMAFPRMNNLSYWLYVAGTSLAVASLFAPGGN
GQLGSGIGWVLYPPLSTSESGYSTDLAIFAVHLSGASSILGAINMITTFL
NMRAPGMTMHKVPLFAWSIFVTAWLILLALPVLAGAITMLLTDRNFGTTF
FQPSGGGDPVLYQHILWFFGHPEVYIIVLPAFGIVSHVIATFAKKPIFGY
LPMVYAMVAIGVLGFVVWAHHMYTAGLSLTQQSYFMMATMVIAVPTGIKI
FSWIATMWGGSIELKTPMLWALGFLFLFTVGGVTGIVLSQASVDRYYHDT
YYVVAHFHYVMSLGAVFGIFAGIYFWIGKMSGRQYPEWAGKLHFWMMFVG
ANLTFFPQHFLGRQGMPRRYIDYPEAFATWNFVSSLGAFLSFASFLFFLG
VIFYTLTRGARVTANNYWNEHADTLEWTLTSPPPEHTFEQLPKREDW

Ligand information

Ligand ID

InChI

InChI=1S/Mg/q+2

InChIKey

JLVVSXFLKOJNIY-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Mg+2]
CACTVS 3.341	[Mg++]

Formula

Name

MAGNESIUM ION

PDB chain

5weh Chain A Residue 604 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	5weh Role of conformational change and K-path ligands in controlling cytochrome c oxidase activity.
Resolution	3.45 Å
Binding residue (original residue number in PDB)	H411 D412
Binding residue (residue number reindexed from 1)	H398 D399
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	Y33 I43 F47 M51 I99 H102 N121 D132 N139 S142 Y146 W172 S200 S201 G204 T211 H284 E286 Y288 S299 P315 H333 H334 T359 K362 H419 F420 H421 R481
Catalytic site (residue number reindexed from 1)	Y20 I30 F34 M38 I86 H89 N108 D119 N126 S129 Y133 W159 S187 S188 G191 T198 H271 E273 Y275 S286 P302 H320 H321 T346 K349 H406 F407 H408 R468
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:5weh, PDBe:5weh, PDBj:5weh
PDBsum	5weh
PubMed	28842531
UniProt	P33517\|COX1_CERSP Cytochrome c oxidase subunit 1 (Gene Name=ctaD)

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