Structure of PDB 2gsm Chain C Binding Site BS05

Receptor Information

>2gsm Chain C (length=534) 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
YTLTRGARVTANNYWNEHADTLEWTLTSPPPEHT

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

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

Formula

Name

CALCIUM ION

PDB chain

2gsm Chain C Residue 4007 [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	2gsm Identification of conserved lipid/detergent-binding sites in a high-resolution structure of the membrane protein cytochrome c oxidase.
Resolution	2.0 Å
Binding residue (original residue number in PDB)	E54 A57 G59 Q61
Binding residue (residue number reindexed from 1)	E38 A41 G43 Q45
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)	Y17 I27 F31 M35 I83 H86 N105 D116 N123 S126 Y130 W156 S184 S185 G188 T195 H268 E270 Y272 S283 P299 H317 H318 T343 K346 H403 F404 H405 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:2gsm, PDBe:2gsm, PDBj:2gsm
PDBsum	2gsm
PubMed	17050688
UniProt	P33517\|COX1_CERSP Cytochrome c oxidase subunit 1 (Gene Name=ctaD)

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