Structure of PDB 8bd3 Chain y Binding Site BS13

Receptor Information
>8bd3 Chain y (length=221) Species: 2649997 (Chlorella ohadii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VWYGPDRPKFLGPFSDGLVPAYLTGEFPGDYGWDTSGLSADPETFKKYRT
IEVIHARWAMLGALGCIFPEVLEKYSGVQFGEAVWFKAGAQIFADGGLNY
LGNSGLVHAQSIVATLVVQVLLMGAVEIYRANGEGPNGFGEGQDTLYPGG
AFDPLGLADDPDTLAELKVKEIKNGRLAMLSMLGFFVQAIVTGKGPLDNL
LQHLEEPGEFNFYALYANSLA
Ligand information
Ligand IDCLA
InChIInChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32-,33-,37+,41+,51-;/m1./s1
InChIKeyATNHDLDRLWWWCB-AENOIHSZSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=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=C)C
CACTVS 3.385CCC1=C(C)C2=Cc3n4[Mg][N]5C(=CC1=N2)C(=C6C(=O)[CH](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C=C)[CH](C)[CH]7CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C
ACDLabs 12.01O=C(OC)C1C(=O)C2=C(C)C3=CC=4C(CC)=C(C)C5=Cc6c(C=C)c(C)c7C=C8C(C)C(CCC(=O)OC\C=C(/C)CCCC(C)CCCC(C)CCCC(C)C)C=9C1=C2N3[Mg](n76)(N5=4)N8=9
OpenEye OEToolkits 2.0.7CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=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=C)C
CACTVS 3.385CCC1=C(C)C2=Cc3n4[Mg][N@@]5C(=CC1=N2)C(=C6C(=O)[C@H](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C=C)[C@@H](C)[C@@H]7CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C
FormulaC55 H72 Mg N4 O5
NameCHLOROPHYLL A
ChEMBL
DrugBankDB02133
ZINC
PDB chain8bd3 Chain y Residue 610 [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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PDB8bd3 Structure of Chlorella ohadii Photosystem II Reveals Protective Mechanisms against Environmental Stress.
Resolution2.73 Å
Binding residue
(original residue number in PDB)		R96 M99 L100 Y186 P187 G188 D192 L196 L206 E210 N213
Binding residue
(residue number reindexed from 1)		R57 M60 L61 Y147 P148 G149 D153 L157 L167 E171 N174
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.1.107: diacylglycerol kinase (ATP).
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:8bd3, PDBe:8bd3, PDBj:8bd3
PDBsum8bd3
PubMed37566050
UniProtA0A2P6U5M3

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