Structure of PDB 6ijj Chain B Binding Site BS22

Receptor Information
>6ijj Chain B (length=731) Species: 3055 (Chlamydomonas reinhardtii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLFPKFSQGLAQDPTTRRIWYGLAMAHDFESHDGMTEENLYQKIFASHFG
QLSIIFLWTSGNLFHVAWQGNFEQWVTDPVHIRPIAHAIWDPHFGQPAVE
AFTRGGASGPVNISTSGVYQWWYTIGMRTNQDLYVGSVFLALVSAIFLFA
GWLHLQPNFQPSLSWFKDAESRLNHHLSGLFGVSSLAWTGHLVHVAIPES
RGQHVGWDNFLSVLPHPQGLTPFFTGNWAAYAQSPDTASHVFGTAQGSGQ
AILTFLGGFHPQTQSLWLTDMAHHHLAIAVIFIVAGHMYRTNFGIGHRMQ
AILEAHTPPSGSLGAGHKGLFDTVNNSLHFQLGLALASVGTITSLVAQHM
YSLPPYAFQAIDFTTQAALYTHHQYIAGFIMCGAFAHGAIFFIRDYDPEQ
NKGNVLARMLDHKEALISHLSWVSLFLGFHTLGLYVHNDVMQAFGTPEKQ
ILIEPVFAQWIQAAHGKALYGFDFLLSSKTSAAFANGQSLWLPGWLDAIN
NNQNSLFLTIGPGDFLVHHAIALGLHTTTLILVKGALDARGSKLMPDKKD
FGYSFPCDGPGRGGTCDISAYDAFYLAVFWMLNTIGWVTFYWHWKHLTLW
QGNVAQFDESSTYLMGWLRDYLWLNSSQLINGYNPFGMNSLSVWAWTFLF
GHLIYATGFMFLISWRGYWQELIETLVWAHEKTPLANLVYWKDKPVALSI
VQARLVGLAHFSVGYIFTYAAFLIASTSGRF
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 chain6ijj Chain B Residue 814 [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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PDB6ijj Antenna arrangement and energy transfer pathways of a green algal photosystem-I-LHCI supercomplex.
Resolution2.89 Å
Binding residue
(original residue number in PDB)		G129 M130 F142 F150 A190 W191 H194 V198 G209 W210 F213
Binding residue
(residue number reindexed from 1)		G126 M127 F139 F147 A187 W188 H191 V195 G206 W207 F210
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:0009507 chloroplast
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:6ijj, PDBe:6ijj, PDBj:6ijj
PDBsum6ijj
PubMed30850819
UniProtP09144|PSAB_CHLRE Photosystem I P700 chlorophyll a apoprotein A2 (Gene Name=psaB)

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