Structure of PDB 6tcl Chain A2 Binding Site BS02

Receptor Information
>6tcl Chain A2 (length=740) Species: 103690 (Nostoc sp. PCC 7120 = FACHB-418) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KARVIVDKDPVPTSFEKWAQPGHFDRTLARGPKTTTWIWNLHALAHDFDT
HTSDLEDISRKIFAAHFGHLAVVTIWLSGMIFHGAKFSNYEAWLSDPLNV
RPSAQVVWPIVGQDILNGDVGGGFHGIQITSGLFQVWRGWGITNSFQLYC
TAIGGLVLAGLFLFAGWFHYHKRAPKLEWFQNVESMLNHHLQVLLGCGSL
GWAGHLIHVSAPINKLMDAGVAVKDIPLPHEFILNKSLLIDLFPGFAAGL
TPFFTLNWGQYADFLTFKGGLNPVTGGLWMTDIAHHHLAIAVVFIIAGHQ
YRTNWGIGHSIKEILENHKGPFTGEGHKGLYENLTTSWHAQLATNLAFLG
SLTIIIAHHMYAMPPYPYLATDYATQLCIFTHHIWIGGFLIVGGAAHAAI
FMVRDYDPVVNQNNVLDRVIRHRDAIISHLNWVCIFLGFHSFGLYIHNDT
MRALGRPQDMFSDTAIQLQPVFAQWVQNLHTLAPGGTAPNALEPVSYAFG
GGVLAVGGKVAMMPIALGTADFLIHHIHAFTIHVTVLILLKGVLFARSSR
LIPDKANLGFRFPCDGPGRGGTCQVSGWDHVFLGLFWMYNSLSIVIFHFS
WKMQSDVWGTVDAAGNVSHITGGNFAQSAITINGWLRDFLWAQASQVINS
YGSALSAYGLMFLGAHFVWAFSLMFLFSGRGYWQELIESIVWAHNKLKVA
PAIQPRALSITQGRAVGVAHYLLGGIATTWAFFHAHILSV
Ligand information
Ligand IDCL0
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;+4/p-1/b34-26+;/t32-,33-,37+,41+,51+;/m1./s1
InChIKeyVIQFHHZSLDFWDU-DVXFRRMCSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@@H](C(=O)c8c7C)C(=O)OC)C)C=C)C
CACTVS 3.385CCC1=C(C)C2=Cc3n4c(C=C5[CH](C)[CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C6=[N+]5[Mg]47[N]8C(=CC1=[N+]27)C(=C9C(=O)[CH](C(=O)OC)C6=C89)C)c(C)c3C=C
OpenEye OEToolkits 1.7.6CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C(C(=O)c8c7C)C(=O)OC)C)C=C)C
CACTVS 3.385CCC1=C(C)C2=Cc3n4c(C=C5[C@@H](C)[C@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C6=[N@@+]5[Mg]47[N@]8C(=CC1=[N@@+]27)C(=C9C(=O)[C@@H](C(=O)OC)C6=C89)C)c(C)c3C=C
FormulaC55 H72 Mg N4 O5
NameCHLOROPHYLL A ISOMER
ChEMBL
DrugBank
ZINC
PDB chain6tcl Chain A2 Residue 803 [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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PDB6tcl Distinct structural modulation of photosystem I and lipid environment stabilizes its tetrameric assembly.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		Y600 F608 W646 F673 H677 W680 T739 T740 F743
Binding residue
(residue number reindexed from 1)		Y589 F597 W635 F662 H666 W669 T728 T729 F732
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:0009579 thylakoid
GO:0016020 membrane
GO:0031676 plasma membrane-derived thylakoid membrane
GO:0042651 thylakoid membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6tcl, PDBe:6tcl, PDBj:6tcl
PDBsum6tcl
PubMed32170279
UniProtP58576|PSAA_NOSS1 Photosystem I P700 chlorophyll a apoprotein A1 (Gene Name=psaA)

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