Structure of PDB 1m56 Chain A Binding Site BS03

Receptor Information

>1m56 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/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

1m56 Chain A Residue 1007 [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	1m56 The X-ray crystal structures of wild-type and EQ(I-286) mutant cytochrome c oxidases from Rhodobacter sphaeroides.
Resolution	2.3 Å
Binding residue (original residue number in PDB)	E54 A57 P58 G59 Q61
Binding residue (residue number reindexed from 1)	E41 A44 P45 G46 Q48
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:1m56, PDBe:1m56, PDBj:1m56
PDBsum	1m56
PubMed	12144789
UniProt	P33517\|COX1_CERSP Cytochrome c oxidase subunit 1 (Gene Name=ctaD)

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