Structure of PDB 6tcl Chain BB Binding Site BS02

Receptor Information
>6tcl Chain BB (length=739) 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]
TKFPKFSQDLAQDPTTRRIWYAMAMGNDFESHDGMTEENLYQKIFATHFG
HLAIIFLWASSLLFHVAWQGNFEQWIKDPLHVRPIAHAIWDPHFGKPAIE
AFTQAGANGPVNIAYSGVYHWWYTIGMRTNTELYTGSVFLLLFASLFLFA
GWLHLQPKFRPSLAWFKSAESRLNHHLAGLFGVSSLAWAGHLIHVAIPES
RGQHVGWDNFLSTAPHPAGLQPFFTGNWGVYAQNPDTAGHIFSTSQGAGT
AILTFLGGFHPQTESLWLTDMAHHHLAIAVLFIVAGHMYRTNFGIGHSIK
EMMNAKTFFGKPVEGPFNMPHQGIYDTYNNSLHFQLGWHLACLGVVTSWV
AQHMYSLPSYAFIAKDYTTQAALYTHHQYIAIFLMVGAFAHGAIFLVRDY
DPEQNKGNVLERVLQHKEAIISHLSWVSLFLGFHTLGLYVHNDVVVAFGT
PEKQILIEPVFAQFIQAAHGKVLYGLDTLLSNPDSVAYTAYPNYANVWLP
GWLDAINSGTNSLFLTIGPGDFLVHHAIALGLHTTTLILVKGALDARGSK
LMPDKKDFGYAFPCDGPGRGGTCDISAWDSFYLSLFWALNTVGWVTFYWH
WKHLGIWQGNVAQFNENSTYLMGWFRDYLWANSAQLINGYNPYGVNNLSV
WAWMFLFGHLVWATGFMFLISWRGYWQELIETLVWAHERTPIANLVRWKD
KPVALSIVQARVVGLAHFTVGYVLTYAAFLIASTAGKFG
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 AA 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)		F627 L631
Binding residue
(residue number reindexed from 1)		F625 L629
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
UniProtP58565|PSAB1_NOSS1 Photosystem I P700 chlorophyll a apoprotein A2 1 (Gene Name=psaB1)

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