Structure of PDB 7ksq Chain 2 Binding Site BS13

Receptor Information
>7ksq Chain 2 (length=203) Species: 3218 (Physcomitrium patens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPLWFPGSQPPEWLDGSLPGDFGFDPLGLGSDPELLKWFVQAELVHCRWA
MLGAAGIFIPEALTKAGILNTPSWTVAGDQQYFTDATTLFVIEIILFAWA
EGRRWADIINPGCVNVDPVFPNNKLTGTDVGYPGGLWFDPLGWGQTGDAA
KLKDLRTREIKNGRLAMLAVLGAVVQANYTHTGPIDNLLAHLADPGHNTI
FAL
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 chain7ksq Chain 2 Residue 615 [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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PDB7ksq The structure of the Physcomitrium patens photosystem I reveals a unique Lhca2 paralogue replacing Lhca4.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		W163 R167 N179 D181 N187 L189 L200 W201
Binding residue
(residue number reindexed from 1)		W99 R103 N115 D117 N123 L125 L136 W137
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:7ksq, PDBe:7ksq, PDBj:7ksq
PDBsum7ksq
PubMed35190662
UniProtA0A2K1IW94

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