Structure of PDB 4xk8 Chain 9 Binding Site BS07

Receptor Information
>4xk8 Chain 9 (length=196) Species: 3888 (Pisum sativum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GEWLPGLASPGYLTGSLPGDNGFDPLGLAEDPENLRWFVQAELVNGRWAM
LGVAGMLLPEVFTSIGIINVPKWYAAGKEEYFASSSTLFVIEFILFHYVE
IRRWQDIKNPGSVNQDPIFKQYSLPAGEVGYPGGIFNPLNFAPTLEAKEK
EIANGRLAMLAFLGFIIQHNVTGKGPFDNLLQHISDPWHNTIVQTL
Ligand information
Ligand IDCHL
InChIInChI=1S/C55H71N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-33,36,40,51H,1,13-24,26H2,2-11H3,(H-,56,57,58,59,60,62);/q-1;+4/p-1/b34-25+;/t32-,33-,36?,40?,51-;/m1./s1
InChIKeyMWVCRINOIIOUAU-UYSPMESUSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C(C(=O)c8c7C)C(=O)OC)C)C=C)C=O
OpenEye OEToolkits 2.0.7CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C=O
CACTVS 3.385CCC1=C(C=O)C2=Cc3n4c(C=C5[CH](C)[CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C6=[N+]5[Mg]47[N]8C(=CC1=[N+]27)C(=C9C(=O)[CH](C(=O)OC)C6=C89)C)c(C)c3C=C
CACTVS 3.385CCC1=C(C=O)C2=Cc3n4c(C=C5[C@H](C)[C@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C6=[N@+]5[Mg]47[N@@]8C(=CC1=[N@+]27)C(=C9C(=O)[C@H](C(=O)OC)C6=C89)C)c(C)c3C=C
FormulaC55 H70 Mg N4 O6
NameCHLOROPHYLL B
ChEMBL
DrugBank
ZINC
PDB chain4xk8 Chain 9 Residue 606 [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]
PDB4xk8 Structural basis for energy transfer pathways in the plant PSI-LHCI supercomplex
Resolution2.8 Å
Binding residue
(original residue number in PDB)		Y127 G130 S138 E145
Binding residue
(residue number reindexed from 1)		Y74 G77 S85 E92
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0009765 photosynthesis, light harvesting
Cellular Component
GO:0016020 membrane

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4xk8, PDBe:4xk8, PDBj:4xk8
PDBsum4xk8
PubMed26023133
UniProtQ9SQL2|CB24_PEA Chlorophyll a-b binding protein P4, chloroplastic (Gene Name=lhcA-P4)

[Back to BioLiP]