Structure of PDB 7blz Chain A Binding Site BS28

Receptor Information
>7blz Chain A (length=743) Species: 280699 (Cyanidioschyzon merolae strain 10D) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKQVKVVVDRDVVPTSFEKWAKPGHFSRSLAKGPKTTTWIWNLHADAHDF
DSHTSSLEEVSRKIFSAHFGQLAIIFIWLSGMYFHGARFSNYVAWLSNPT
GIKPSAQVVWPIVGQQILNADVGGGMQGIQITSGLFQLWRASGIVNELQL
YVTALGGLGMAGLMIFAGWFHYHKAAPKLEWFQNVESMLNHHLAGLLGLG
SLSWAGHQIHVSLPINKLLDAGVAPSSIPLPHEFILNRNLMAELYPSFQQ
GLVPFFTLNWKQYSDILTFKGGLSPVTGGLWLTDVAHHHLAIAVLFLVAG
HMYRTNWGIGHSIKQILEAHKGPLTGEGHKGLYEILTTSWHANLAINLAM
LGSLSIIVAHHMYAMPPYPYLATDYPTQLSLFTHHMWIGGFCIVGAGAHA
AIYMVRDYSPTVNFNNVLDRMIRHRDAIISHLNWVCIFLGMHSFGLYIHN
DTMRALGRAQDMFSDTAIQLQPVFAQWIQQIHTLAPGNTAVNALATASYA
FGADTVTVGSKIAMMPIKLGTADFMVHHIHAFTIHVTTLILLKGVLYARN
SRLIPDKANLGFRFPCDGPGRGGTCQVSAWDHVFLGLFWMYNALSIVIFH
FSWKMQSDVWGTVTSNGAISHITGGNFAQSAITINGWLRDFLWAQASQVI
QSYGSSLSAYGLMFLGAHFVWAFSLMFLFSGRGYWQELIESIVWAHNKLK
VAPAIAPRALSITQGRAVGVAHYLLGGIATTWAFFLARIIAVG
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 chain7blz Chain A Residue 827 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7blz Red alga C.merolae Photosystem I
Resolution3.1 Å
Binding residue
(original residue number in PDB)
W83 S138 S385 T388 H389 W392 I393 M668 I733 W737
Binding residue
(residue number reindexed from 1)
W78 S133 S380 T383 H384 W387 I388 M663 I728 W732
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

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Molecular Function

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Biological Process

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Cellular Component
External links
PDB RCSB:7blz, PDBe:7blz, PDBj:7blz
PDBsum7blz
PubMed
UniProtQ85FY7|PSAA_CYAM1 Photosystem I P700 chlorophyll a apoprotein A1 (Gene Name=psaA)

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