Structure of PDB 8j5o Chain M Binding Site BS01

Receptor Information
>8j5o Chain M (length=306) Species: 383372 (Roseiflexus castenholzii DSM 13941) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PIDLHDEEYRDGLEGTIAKPPGHVGWMQRLLGEGQVGPIYVGLWGVISFI
TFFASAFIILVDYGRQVGWNPIIYLREFWNLAVYPPPTEYGLSWNVPWDK
GGAWLAATFFLHISVLTWWARLYTRAKATGVGTQLAWGFASALSLYFVIY
LFHPLALGNWSAAPGHGFRAILDWTNYVSIHWGNFYYNPFHMLSIFFLLG
STLLLAMHGATIVATSKWKSEMEFTEMMAEGPGTQRAQLFWRWVMGWNAN
SYNIHIWAWWFAAFTAITGAIGLFLSGTLVPDWYAWGETAKIVAPWPNPD
WAQYVF
Ligand information
Ligand IDBCL
InChIInChI=1S/C55H75N4O6.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;/h25,27-32,34-35,39-40,51H,13-24,26H2,1-12H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b33-25+;/t31-,32-,34-,35+,39-,40+,51-;/m1./s1
InChIKeyDSJXIQQMORJERS-AGGZHOMASA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C
CACTVS 3.385[Mg++].CC[CH]1[CH](C)C2=Cc3[n-]c(C=C4N=C([CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)[CH]4C)C5=C6[N-]C(=CC1=N2)C(=C6C(=O)[CH]5C(=O)OC)C)c(C)c3C(C)=O
CACTVS 3.385[Mg++].CC[C@@H]1[C@@H](C)C2=Cc3[n-]c(C=C4N=C([C@@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]4C)C5=C6[N-]C(=CC1=N2)C(=C6C(=O)[C@@H]5C(=O)OC)C)c(C)c3C(C)=O
OpenEye OEToolkits 2.0.7CCC1C(C2=CC3=C(C(=C4[N-]3[Mg+2]56[N]2=C1C=C7[N-]5C8=C(C(C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)C(C9CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C)C(=O)C)C
FormulaC55 H74 Mg N4 O6
NameBACTERIOCHLOROPHYLL A
ChEMBL
DrugBankDB01853
ZINC
PDB chain8j5o Chain L Residue 1001 [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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PDB8j5o Carotenoid assembly regulates quinone diffusion and the Roseiflexus castenholzii reaction center-light harvesting complex architecture.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		M526 I529 F530 L533
Binding residue
(residue number reindexed from 1)		M192 I195 F196 L199
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0045156 electron transporter, transferring electrons within the cyclic electron transport pathway of photosynthesis activity
Biological Process
GO:0009772 photosynthetic electron transport in photosystem II
GO:0019684 photosynthesis, light reaction

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8j5o, PDBe:8j5o, PDBj:8j5o
PDBsum8j5o
PubMed37737710
UniProtA7NQE8

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