Structure of PDB 8k5o Chain M Binding Site BS07

Receptor Information
>8k5o Chain M (length=318) Species: 1052 (Halorhodospira halochloris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEYQNVFTRVQVRGPAEQGLEVPGGSWNRVGRPRFSYLLGKIGDAQVGPI
YLGATGVVASLGFLIFCLMVGFNWLAAVDWSVREVFRQFWWLAVEVPPPE
YGLRIPPFNDGGWFLWGLAICSLSLLMWWARTYIRARALGLGTHVAWAFA
AALWFYFIITIIRPVAIGSWDESLPIGMFAHLDWLVAISERYGNFYYNPF
HMLSIAFCFGSALLFAAHGATILATGRYNSEREIEQITDRGTGSERAALF
WRWTMGFNATMESIHRWGYWMAILVPLVASIGLFLSGTVIESWYEWGLKH
NLVPIYEELSDPARNPAA
Ligand information
Ligand IDA1LZP
InChIInChI=1S/C55H72N4O6/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/h13,19,25,27-30,32,34-35,40,51,57,59H,14-18,20-24,26H2,1-12H3/b31-19+,33-25-,39-13+,41-29-,42-27-,43-27-,44-28-,45-28-,46-29-,52-50-/t32-,34?,35?,40?,51-/m1/s1
InChIKeyGITBURVOIOOMIM-KBVICSHCSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COC(=O)[CH]1C(=O)c2c(C)c3[nH]c2c1c4nc(cc5[nH]c(cc6nc(c3)C(=CC)[CH]6C)c(C(C)=O)c5C)[CH](C)[CH]4CCC(=O)OCC=C(C)CCC[CH](C)CCC=C(C)CCCC(C)C
OpenEye OEToolkits 2.0.7CC=C1c2cc3c(c4c([nH]3)c(c5nc(cc6c(c(c([nH]6)cc(n2)C1C)C(=O)C)C)C(C5CCC(=O)OCC=C(C)CCCC(C)CCC=C(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C
CACTVS 3.385COC(=O)[C@H]1C(=O)c2c(C)c3[nH]c2c1c4nc(cc5[nH]c(cc6nc(c3)C(=C/C)/[C@H]6C)c(C(C)=O)c5C)[C@@H](C)[C@H]4CCC(=O)OC/C=C(/C)CCC[C@H](C)CC\C=C(/C)CCCC(C)C
OpenEye OEToolkits 2.0.7C/C=C\1/c2/cc\3/c(c4c([nH]3)c(c5n/c(c\c6c(c(c([nH]6)/cc(\n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(/C)\CCC[C@H](C)CC/C=C(\C)/CCCC(C)C)C)[C@H](C4=O)C(=O)OC)C
FormulaC55 H72 N4 O6
NameTrans-Geranyl Bacteriopheophytin B
ChEMBL
DrugBank
ZINC
PDB chain8k5o Chain M Residue 704 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		L53 G57 V58 S61 F64 W129 R132 V146 A149 F150 A153 A273
Binding residue
(residue number reindexed from 1)		L52 G56 V57 S60 F63 W128 R131 V145 A148 F149 A152 A272
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0042314 bacteriochlorophyll binding
GO:0046872 metal ion binding
Biological Process
GO:0015979 photosynthesis
Cellular Component
GO:0016020 membrane
GO:0042717 plasma membrane-derived chromatophore membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8k5o, PDBe:8k5o, PDBj:8k5o
PDBsum8k5o
PubMed38411333
UniProtA0A0X8X847

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