Structure of PDB 3fyi Chain C Binding Site BS03

Receptor Information

>3fyi Chain C (length=531) Species: 1063 (Cereibacter sphaeroides) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

WFMSTNHKDIGVLYLFTGGLVGLISVAFTVYMRMELMAPGVQFMCAEHLE
SGLVKGFFQSLWPSAVENCTPNGHLWNVMITGHGILMMFFVVIPALFGGF
GNYFMPLHIGAPDMAFPRMNNLSYWLYVAGTSLAVASLFAPGGNGQLGSG
IGWVLYPPLSTSESGYSTDLAIFAVHLSGASSILGAINMITTFLNMRAPG
MTMHKVPLFAWSIFVTAWLILLALPVLAGAITMLLTDRNFGTTFFQPSGG
GDPVLYQHILWFFGHPEVYIIVLPAFGIVSHVIATFAKKPIFGYLPMVYA
MVAIGVLGFVVWAHHMYTAGLSLTQQSYFMMATMVIAVPTGIKIFSWIAT
MWGGSIELKTPMLWALGFLFLFTVGGVTGIVLSQASVDRYYHDTYYVVAH
FHYVMSLGAVFGIFAGIYFWIGKMSGRQYPEWAGKLHFWMMFVGANLTFF
PQHFLGRQGMPRRYIDYPEAFATWNFVSSLGAFLSFASFLFFLGVIFYTL
TRGARVTANNYWNEHADTLEWTLTSPPPEHT

Ligand information

InChI=1S/Cu/q+1

VMQMZMRVKUZKQL-UHFFFAOYSA-N

SMILES

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

Formula

Name

COPPER (I) ION

ChEMBL

DrugBank

ZINC

PDB chain

3fyi Chain C Residue 569 [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	3fyi Redox dependent conformational changes in cytochrome c oxidase suggest a gating mechanism for proton uptake.
Resolution	2.2 Å
Binding residue (original residue number in PDB)	H284 H333 H334
Binding residue (residue number reindexed from 1)	H265 H314 H315
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)	Y14 I24 F28 M32 I80 H83 N102 D113 N120 S123 Y127 W153 S181 S182 G185 T192 H265 E267 Y269 S280 P296 H314 H315 T340 K343 H400 F401 H402 R462
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:3fyi, PDBe:3fyi, PDBj:3fyi
PDBsum	3fyi
PubMed	19397279
UniProt	P33517\|COX1_CERSP Cytochrome c oxidase subunit 1 (Gene Name=ctaD)

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