Structure of PDB 6tcl Chain B1 Binding Site BS43

Receptor Information
>6tcl Chain B1 (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 IDECH
InChIInChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-21,23-26H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+
InChIKeyQXNWZXMBUKUYMD-QQGJMDNJSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C
CACTVS 3.370CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C)C=CC=C(C)C=CC2=C(C)CCCC2(C)C
CACTVS 3.370CC(=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)C(=O)CCC1(C)C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C
OpenEye OEToolkits 1.7.0CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)CCC2(C)C)C)C)C
ACDLabs 12.01O=C2C(=C(\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)C)C)C)C)C(C)(C)CC2)C
FormulaC40 H54 O
Namebeta,beta-caroten-4-one;
echinenone
ChEMBL
DrugBank
ZINCZINC000004097703
PDB chain6tcl Chain B1 Residue 840 [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)		L65 G138 L142 W209
Binding residue
(residue number reindexed from 1)		L63 G136 L140 W207
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

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Molecular Function
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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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