Structure of PDB 7o0w Chain ah Binding Site BS02

Receptor Information
>7o0w Chain ah (length=60) Species: 1379270 (Gemmatimonas phototrophica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MHRIWLMYDPRRVMVALVGFLAVLALVIHFVLLSSQRYSWIENGTLGADQ
APVGASAPAA
Ligand information
Ligand IDUYH
InChIInChI=1S/C45H86O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39,42-46,49-51H,3-37H2,1-2H3/t38-,39-,42-,43+,44-,45-/m1/s1
InChIKeyDCLTVZLYPPIIID-KTXJEQRFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCCCCCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCC
FormulaC45 H86 O10
Name[(2~{S})-3-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-octadecanoyloxy-propyl] octadecanoate
ChEMBL
DrugBank
ZINCZINC000095612921
PDB chain7o0w Chain ai Residue 102 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7o0w 2.4- angstrom structure of the double-ring Gemmatimonas phototrophica photosystem.
Resolution2.47 Å
Binding residue
(original residue number in PDB)		F20 V23
Binding residue
(residue number reindexed from 1)		F20 V23
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
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:0019684 photosynthesis, light reaction
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0019866 organelle inner membrane
GO:0030076 light-harvesting complex
GO:0030077 plasma membrane light-harvesting complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7o0w, PDBe:7o0w, PDBj:7o0w
PDBsum7o0w
PubMed35171663
UniProtA0A143BHS7

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