Structure of PDB 7y7b Chain B Binding Site BS19

Receptor Information
>7y7b Chain B (length=731) Species: 173977 (Chroomonas placoidea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKFPKFSQALAQDPATRRIWYGLATAHDFESHDGMTEENLYQKIFASHFG
HLAIIFLWTSGNLFHVAWQGNFEQWVLNPLKVKPVAHAIWDPHFGQPAVK
AFTKGGVFYPVNIATSGVYHWWYTIGMRTNNDLYAGSLFLLFLSGVFLFA
GWLHLQPKFRPGLSWFKNNESRLNHHLSGLFGFSSLAWAGHLIHIAIPEA
RGQHVGWDNFTKTLPHPAGLTPFFTGNWSLYADNPDTANHIFGTSEGSGS
AILTFLGGFHPQTQALWLTDIAHHHLAIGVVFIFAGHMYRTNWGIGHSLK
EILDAHRPPGGRLGAGHKGLFETITNSLHFQLGLALASIGVITSLVAQHM
YALPAYAFIAKDYTTQAALYTHHQYIAGFLMVGAFAHGAIFFVRDYDPEQ
NKNNVLARMLEHKEAIISHLSWVSLFLGFHTLGLYIHNDVVVAFGTPEKQ
ILVEPVFAQWIQASSGKALYGFDVLLSSSNSVATNASNNIWLPGWLDAIN
SGKNSLFLPIGPGDFLVHHAIALGLHTTALILVKGALDARGSKLMPDKKD
FGYSFPCDGPGRGGTCDISAWDAFYLSMFWMLNTIGWVTFYWHWKHVTIW
QGNAGQFNESSTYIMGWLRDYLWLNSSPLINGYNPFGMNSLAVWAWMFLF
GHLIWATGFMFLISWRGYWQELIETLAWAHERTPLANLVRWKDKPVALSI
VQARLVGLIHFTVGYVFTYAAFVIASTTGKF
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 chain7y7b Chain B Residue 812 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7y7b Structural basis and evolution of the photosystem I-light-harvesting supercomplex of cryptophyte algae.
Resolution2.66 Å
Binding residue
(original residue number in PDB)		F47 H50 F51 L54 W123 W167 R174 H177 H178 L182 F183
Binding residue
(residue number reindexed from 1)		F45 H48 F49 L52 W121 W165 R172 H175 H176 L180 F181
Annotation score1
Enzymatic activity
Enzyme Commision number 1.97.1.12: photosystem I.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0009055 electron transfer activity
GO:0016168 chlorophyll binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0015979 photosynthesis
Cellular Component
GO:0009522 photosystem I
GO:0009536 plastid
GO:0009579 thylakoid
GO:0016020 membrane
GO:0042651 thylakoid membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7y7b, PDBe:7y7b, PDBj:7y7b
PDBsum7y7b
PubMed36943796
UniProtA0A222AI95

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