Structure of PDB 5v8k Chain A Binding Site BS27

Receptor Information
>5v8k Chain A (length=600) Species: 35701 (Heliomicrobium modesticaldum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPRAQVFEYFKLKVPATRGAVLKAHINHLGNVAAMVSFILVHHLSWDPAT
QGVLWAPATMFYARLYQLGLDAVALSPDALFVARMHLLAAIILWGFGHVK
SPAEEKFLEKVTMGKALVAQFHFFALIATLWGLHMAFYGILGPSGKLEPT
GLSFDMFGPITPATMAGNHVAFGAVFFLGGIFHYFAGFNTKRFAFFEKDW
EAVLSVSCQILAFHFATVVFAMIIWQHPQLGFGFMREYAVSQYAGPELKM
IAQSNPGLLVKQAILGHLVMGIMFWIGGVFHGAHFMLRVLNDPKLAEEMK
DFKFIKRCYDHEFQKKFLALIMFGAFLPIFVSYGIATHNTIADIHAASKT
GLFAHMTYINIGTPLHDAIFGSKGSISEFVAAHAIAGGLHFTMVPMWRMV
FFSKVSPWTTKVGMKAKRDGEFPCLGPAYGGTCSISLVDQFYLAIFFSLQ
VIAPAWFYIDGCWMGSFVAVAAPYNDIYQAALATFNSHNPLHQLSPLTNM
GYFSYIIQQTTAMFSRYDGHMIQALLGAHFIWAFTFSMLFQYRGSRDEGA
MVLKWAHQQVGVGFAGKMYNRALSLKEGKAIGCFLFFKMTIVCMWALAMV
Ligand information
Ligand IDGBF
InChIInChI=1S/C50H59N4O5.Mg/c1-12-34-30(7)37-24-39-32(9)36(20-21-43(55)59-23-22-29(6)19-15-18-28(5)17-14-16-27(3)4)47(53-39)45-46(50(57)58-11)49(56)44-33(10)40(54-48(44)45)26-42-35(13-2)31(8)38(52-42)25-41(34)51-37;/h16,18,22,24-26,46H,12-15,17,19-21,23H2,1-11H3,(H-,51,52,53,54,56);/q-1;+2/p-1/b28-18+,29-22-,37-24-,38-25-,39-24-,40-26-,41-25-,42-26-,47-45-;/t46-;/m1./s1
InChIKeyLRFAKGNZCOQNAG-QZHKZBCOSA-M
SMILES
SoftwareSMILES
CACTVS 3.385CCC1=C(C)C2=NC1=Cc3n4[Mg][N]5C(=C2)C(=C(CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C)C5=C6[CH](C(=O)OC)C(=O)C7=C(C)C(=Cc4c(CC)c3C)N=C67)C
CACTVS 3.385CCC1=C(C)C2=NC1=Cc3n4[Mg][N@]5C(=C2)C(=C(CCC(=O)OC\C=C(\C)CC\C=C(/C)CCC=C(C)C)C5=C6[C@@H](C(=O)OC)C(=O)C7=C(C)C(=Cc4c(CC)c3C)N=C67)C
OpenEye OEToolkits 2.0.6CCc1c(c2n3c1C=C4C(=C5C(=O)C(C6=C7C(=C(C8=CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2)C(=C9C)CC)C)CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C)C(=O)OC)C)C
OpenEye OEToolkits 2.0.6CCc1c(c2n3c1C=C4C(=C5C(=O)[C@@H](C6=C7C(=C(C8=CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2)C(=C9C)CC)C)CCC(=O)OC/C=C(/C)\CC/C=C(\C)/CCC=C(C)C)C(=O)OC)C)C
ACDLabs 12.01[Mg]321N4C5=C9C8=N1C(=Cc7n2c(C=C6N3=C(C=C4C(=C5CCC(=O)OC\C=C(\C)CC\C=C(/C)CC\C=C(/C)C)C)C(=C6CC)C)c(c7CC)C)C(=C8C(=O)C9C(=O)OC)C
FormulaC50 H58 Mg N4 O5
NameBacteriochlorophyll g
ChEMBL
DrugBank
ZINC
PDB chain5v8k Chain A Residue 1026 [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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PDB5v8k Structure of a symmetric photosynthetic reaction center-photosystem.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		W63 A64 Y525 H528 M529 Q531 W603
Binding residue
(residue number reindexed from 1)		W55 A56 Y517 H520 M521 Q523 W595
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0015979 photosynthesis
Cellular Component
GO:0009579 thylakoid
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5v8k, PDBe:5v8k, PDBj:5v8k
PDBsum5v8k
PubMed28751471
UniProtQ1MX24

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