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 ID

GBF

InChI

InChI=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

InChIKey

LRFAKGNZCOQNAG-QZHKZBCOSA-M

SMILES

Software	SMILES
CACTVS 3.385	CCC1=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 3.385	CCC1=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 2.0.6	CCc1c(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 2.0.6	CCc1c(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

Formula

C50 H58 Mg N4 O5

Name

Bacteriochlorophyll g

ChEMBL

DrugBank

ZINC

PDB chain

5v8k Chain A Residue 1026 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	5v8k Structure of a symmetric photosynthetic reaction center-photosystem.
Resolution	2.2 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 score	1

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

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Molecular Function

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Cellular Component

External links

PDB	RCSB:5v8k, PDBe:5v8k, PDBj:5v8k
PDBsum	5v8k
PubMed	28751471
UniProt	Q1MX24

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