BioLiP

Receptor Information

>2hit Chain M (length=302) Species: 1063 (Cereibacter sphaeroides) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

AEYQNIFSQVQVRGPADLGMTEDVNLANRSGVGPFSTLLGWFGNAQLGPI
YLGSLGVLSLFSGLMWFFTIGIWFWYQAGWNPAVFLRDLFFFSLEPPAPE
YGLSFAAPLKEGGLWLIASFFMFVAVWSWWGRTYLRAQALGMGKHTAWAF
LSAIWLWMVLGFIRPILMGSWSEAVPYGIFSHLDWTNNFSLVHGNLFYNP
FHGLSIAFLYGSALLFAMHGATILAVSRFGGERELEQIADRGTAAERAAL
FWRWTMGFNATMEGIHRWAIWMAVLVTLTGGIGILLSGTVVDNWYVWGQN
HG

Ligand ID

PEW

InChI

InChI=1S/C39H76Br2NO8P/c1-3-5-7-9-11-12-13-14-15-16-17-21-25-29-38(43)47-33-35(34-49-51(45,46)48-32-31-42)50-39(44)30-26-22-18-20-24-28-37(41)36(40)27-23-19-10-8-6-4-2/h35-37H,3-34,42H2,1-2H3,(H,45,46)/t35-,36+,37+/m1/s1

InChIKey

DQMAEWCVUIFGMB-BOALQFNTSA-N

SMILES

Software	SMILES
ACDLabs 10.04	BrC(CCCCCCCC)C(Br)CCCCCCCC(=O)OC(COP(=O)(OCCN)O)COC(=O)CCCCCCCCCCCCCCC
CACTVS 3.341	CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC[CH](Br)[CH](Br)CCCCCCCC
CACTVS 3.341	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](O)(=O)OCCN)OC(=O)CCCCCCC[C@H](Br)[C@@H](Br)CCCCCCCC
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCC[C@@H]([C@H](CCCCCCCC)Br)Br
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC(C(CCCCCCCC)Br)Br

Formula

C39 H76 Br2 N O8 P

Name

(1R)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (9S,10S)-9,10-DIBROMOOCTADECANOATE;
DIBROMINATED PHOSPHATIDYLETHANOLAMINE;
1-PALMITOYL-2-STEAROYL(9,10-DIBROMO)-SN-GLYCERO-3-PHOSPHOETHANOLAMINE

PDB chain

2hit Chain M Residue 802 [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	2hit Brominated Lipids Identify Lipid Binding Sites on the Surface of the Reaction Center from Rhodobacter sphaeroides.
Resolution	2.75 Å
Binding residue (original residue number in PDB)	L26 A27 R29 G31 L47
Binding residue (residue number reindexed from 1)	L26 A27 R29 G31 L47
Annotation score	1

Enzyme Commision number

	Molecular Function
GO:0042314	bacteriochlorophyll binding
GO:0045156	electron transporter, transferring electrons within the cyclic electron transport pathway of photosynthesis activity
GO:0046872	metal ion binding

	Biological Process
GO:0009772	photosynthetic electron transport in photosystem II
GO:0015979	photosynthesis
GO:0019684	photosynthesis, light reaction

	Cellular Component
GO:0016020	membrane
GO:0030077	plasma membrane light-harvesting complex
GO:0042717	plasma membrane-derived chromatophore membrane

PDB	RCSB:2hit, PDBe:2hit, PDBj:2hit
PDBsum	2hit
PubMed	17315985
UniProt	P0C0Y9\|RCEM_CERSP Reaction center protein M chain (Gene Name=pufM)

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Structure of PDB 2hit Chain M Binding Site BS08