Structure of PDB 2gsm Chain B Binding Site BS01

Receptor Information

>2gsm Chain B (length=256) Species: 1063 (Cereibacter sphaeroides) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

LEIIGRPQPGGTGFQPSASPVATQIHWLDGFILVIIAAITIFVTLLILYA
VWRFHEKRNKVPARFTHNSPLEIAWTIVPIVILVAIGAFSLPVLFNQQEI
PEADVTVKVTGYQWYWGYEYPDEEISFESYMIGSPATGGDNRMSPEVEQQ
LIEAGYSRDEFLLATDTAMVVPVNKTVVVQVTGADVIHSWTVPAFGVKQD
AVPGRLAQLWFRAEREGIFFGQCSELCGISHAYMPITVKVVSEEAYAAWL
EQHHHH

Ligand information

Ligand ID

DMU

InChI

InChI=1S/C22H42O11/c1-2-3-4-5-6-7-8-9-10-30-21-19(29)17(27)20(14(12-24)32-21)33-22-18(28)16(26)15(25)13(11-23)31-22/h13-29H,2-12H2,1H3/t13-,14-,15-,16+,17-,18-,19-,20-,21-,22-/m1/s1

InChIKey

WOQQAWHSKSSAGF-WXFJLFHKSA-N

SMILES

Software	SMILES
CACTVS 3.370	CCCCCCCCCCO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O
ACDLabs 12.01	O(CCCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO
OpenEye OEToolkits 1.7.6	CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
OpenEye OEToolkits 1.7.6	CCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O
CACTVS 3.370	CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

Formula

C22 H42 O11

Name

DECYL-BETA-D-MALTOPYRANOSIDE;
DECYLMALTOSIDE

PDB chain

2gsm Chain B Residue 5003 [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)	L75 F94 H96 N97 L100 W104
Binding residue (residue number reindexed from 1)	L46 F65 H67 N68 L71 W75
Annotation score	1

Enzymatic activity

Enzyme Commision number

7.1.1.9: cytochrome-c oxidase.

Gene Ontology

	Molecular Function
GO:0004129	cytochrome-c oxidase activity
GO:0005507	copper ion binding
GO:0005515	protein binding
GO:0016491	oxidoreductase activity
GO:0046872	metal ion binding

	Biological Process
GO:0022900	electron transport chain
GO:0042773	ATP synthesis coupled electron transport
GO:1902600	proton transmembrane transport

	Cellular Component
GO:0005886	plasma membrane
GO:0016020	membrane

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Cellular Component

External links

PDB	RCSB:2gsm, PDBe:2gsm, PDBj:2gsm
PDBsum	2gsm
PubMed	17050688
UniProt	Q03736\|COX2_CERSP Cytochrome c oxidase subunit 2 (Gene Name=ctaC)

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