Structure of PDB 8k5o Chain q Binding Site BS04

Receptor Information
>8k5o Chain q (length=63) Species: 1052 (Halorhodospira halochloris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MWKLWKFVDFRMTAVGFHLFFALLAFAVHFACISSERFNWLEGAPAAEYY
MDEDPGIWKRTSY
Ligand information
Ligand IDA1LZM
InChIInChI=1S/C55H71N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3;/h13,19,25,27-30,32,34-35,40,51H,14-18,20-24,26H2,1-12H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b31-19+,33-25+,39-13+;/t32-,34?,35?,40?,51-;/m1./s1
InChIKeyCEXNNVAXOSZTBM-NEIICFFNSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C/C=C/1\C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)C(C9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CC/C=C(\C)/CCCC(C)C)C)C)C(=O)C)C
CACTVS 3.385COC(=O)[CH]1C(=O)C2=C(C)C3=CC4=NC(=Cc5n6[Mg][N]3C2=C1C7=NC(=Cc6c(C)c5C(C)=O)[CH](C)[CH]7CCC(=O)OCC=C(C)CCC[CH](C)CCC=C(C)CCCC(C)C)[CH](C)C4=CC
OpenEye OEToolkits 2.0.7CC=C1C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C(C(C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)C(C9CCC(=O)OCC=C(C)CCCC(C)CCC=C(C)CCCC(C)C)C)C)C(=O)C)C
CACTVS 3.385COC(=O)[C@H]1C(=O)C2=C(C)C3=CC4=NC(=Cc5n6[Mg][N@@]3C2=C1C7=NC(=Cc6c(C)c5C(C)=O)[C@H](C)[C@@H]7CCC(=O)OC\C=C(/C)CCC[C@H](C)CC\C=C(/C)CCCC(C)C)[C@@H](C)\C4=C/C
FormulaC55 H70 Mg N4 O6
NameTrans-Geranyl Bacteriochlorophyll B
ChEMBL
DrugBank
ZINC
PDB chain8k5o Chain t Residue 102 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8k5o Structural insights into the unusual core photocomplex from a triply extremophilic purple bacterium, Halorhodospira halochloris.
Resolution2.42 Å
Binding residue
(original residue number in PDB)		A25 F26 H29
Binding residue
(residue number reindexed from 1)		A25 F26 H29
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0042314 bacteriochlorophyll binding
GO:0046872 metal ion binding
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0030076 light-harvesting complex

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:8k5o, PDBe:8k5o, PDBj:8k5o
PDBsum8k5o
PubMed38411333
UniProtA0A0X8XBE4

[Back to BioLiP]