Structure of PDB 7y3f Chain 1 Binding Site BS13

Receptor Information
>7y3f Chain 1 (length=466) Species: 1180 (Nostoc sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PQQYGWWAGNARFINLSGRLLGAHIAHAGLIILWAGAMTLFEITKYNPSL
PIYEQGLILLPHLATLGFGIGDGGQIIDTYPYFVIGVVHLVSSAVLAAGG
IYHALLGPEVLPENNQFPGFFGYDWEDEDKMTTIIGIHLLLLGAGAWLLV
AKALFWGGLYDSTVASVRVITEPTVNPARIFGYLFGAFGKQGMAAVNNLE
DVVGGHIWVGILCIGGGFWHILTQPFAWAKKVLFWSGEAYLSYSLAALAY
MGLLAAYFVTVNDTVYPTEFYGPLGFSSTSGVISVRTWLATSHFALAIVF
LSGHIWHALRVRVLEAGLNFEQGVVNYLDTPELGNLQTPINTSDLTLKFL
VNLPIYRPGLSAFARGLEIGMAHGYFLLGPFVKLGPLRNTEFANQAGLLA
TIGLLLILSICLWLYGSAWFQEGKSPQGELPENLKTAKSWSEFNAGWIVG
SCGGALFAYLLVTNSS
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 chain7y3f Chain 1 Residue 508 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7y3f Structure of a monomeric photosystem I core associated with iron-stress-induced-A proteins from Anabaena sp. PCC 7120
Resolution2.62 Å
Binding residue
(original residue number in PDB)		M138 I141 I142 L240 W242 Y247 Y250 A254
Binding residue
(residue number reindexed from 1)		M131 I134 I135 L233 W235 Y240 Y243 A247
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016168 chlorophyll binding
Biological Process
GO:0009767 photosynthetic electron transport chain
GO:0015979 photosynthesis
GO:0019684 photosynthesis, light reaction
Cellular Component
GO:0009521 photosystem
GO:0009522 photosystem I
GO:0009538 photosystem I reaction center
GO:0009579 thylakoid
GO:0016020 membrane
GO:0031676 plasma membrane-derived thylakoid membrane
GO:0042651 thylakoid membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7y3f, PDBe:7y3f, PDBj:7y3f
PDBsum7y3f
PubMed36805598
UniProtQ8YQ34

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