Structure of PDB 6igz Chain B Binding Site BS05

Receptor Information
>6igz Chain B (length=733) Species: 325651 (Bryopsis corticulans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATKFPKFSQGLAQDPTTRRIWFGVATAHDFESHDSITEETLYQKIFASHF
GQLSIIFLWTSGNLFHVAWQGNFEAWVQDPLHIRPIAHAIWDPHFGQSAV
EAFTRGGASGPVNIATSGVYQWWYTIGMRTNQDLYQGSVFLSIAAGLFLI
AGWLHLQPKFQPTLSWFKNAESRLNHHLAGLFGVSSLAWTGHLVHVAIPE
SRGIHVRWDNFLTILPHPLGLKPFFTGNWSAYAQNPDTINHIFSTNTGSG
DAILTFLGGFHPQTQSLWLTDMAHHHLAIAVLFIIAGHMYRTNFGIGHSM
KEILDMHTPPSGNLGAGHQNLFDTINNSLHFQLGLALASAGTICSMVAQH
MYSLPAYAFIASDFTTQASLYTHHQYIAGFMLCGAFAHGAIFFIRDYDPV
ANKGNVLARILDHKEAIISHLSWVSLFLGFHTLGLYVHNDVMLAFGTPEK
QILIEPVFAQWIQAAQGKSLYGFDFLLASSTSPAFNASQTVWLPGWLDAI
NNPTNSLFLTIGPGDFLVHHAIALGLHTTTLILVKGALDARGSKLMPDKK
DFGYSFPCDGPGRGGTCDISAWDAFYLSVFWMLNTIGWVTFYWHWKHLGI
WQGNVNQFNESSTYLMGWLRDYLWLNSSQLINGYNPFGMNSLSVWAWMFL
FGHLVYATGFMFLISWRGYWQELIETLAWAHERTPLANLVRWKDKPVALS
IVQARLVGLAHFSVGYIFTYAAFLIASTSGKFG
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 chain6igz Chain B Residue 801 [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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PDB6igz Structure of a green algal photosystem I in complex with a large number of light-harvesting complex I subunits.
Resolution3.49 Å
Binding residue
(original residue number in PDB)		S426 L427 G430 F431 I533 L578 F581 W582
Binding residue
(residue number reindexed from 1)		S425 L426 G429 F430 I532 L577 F580 W581
Annotation score1
Enzymatic activity
Enzyme Commision number 1.97.1.12: photosystem I.
Gene Ontology
Molecular Function
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:0009535 chloroplast thylakoid membrane
GO:0009579 thylakoid
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6igz, PDBe:6igz, PDBj:6igz
PDBsum6igz
PubMed30850820
UniProtA0A4V8H003

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