Structure of PDB 8asl Chain j Binding Site BS04

Receptor Information
>8asl Chain j (length=40) Species: 1148 (Synechocystis sp. PCC 6803) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDGLKSFLSTAPVMIMALLTFTAGILIEFNRFYPDLLFHP
Ligand information
Ligand IDZEX
InChIInChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-35-25-34(6)38(42)28-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-37-33(5)26-36(41)27-40(37,9)10/h11-25,34,36,38,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,36-,38+/m0/s1
InChIKeyYRMDXLDAZBQLBK-WIHRHFSMSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[CH]1C=C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2=C(C)C[CH](O)CC2(C)C)C(C)(C)C[CH]1O
OpenEye OEToolkits 1.5.0CC1C=C(C(CC1O)(C)C)C=CC(=C\C=C\C(=CC=CC=C(C)C=C\C=C(/C)\C=CC2=C(C[C@@H](CC2(C)C)O)C)C)C
ACDLabs 10.04OC2CC(=C(\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=CC(C)C(O)CC1(C)C)C)C)C)C)C(C)(C)C2)C
OpenEye OEToolkits 1.5.0CC1C=C(C(CC1O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C
CACTVS 3.341C[C@H]1C=C(/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)C[C@H](O)CC2(C)C)C(C)(C)C[C@H]1O
FormulaC40 H56 O2
Name(1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol
ChEMBL
DrugBank
ZINC
PDB chain8asl Chain b Residue 3053 [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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PDB8asl The Ycf48 accessory factor occupies the site of the oxygen-evolving manganese cluster during photosystem II biogenesis.
Resolution3.15 Å
Binding residue
(original residue number in PDB)		L36 F38 H39
Binding residue
(residue number reindexed from 1)		L36 F38 H39
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
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
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8asl, PDBe:8asl, PDBj:8asl
PDBsum8asl
PubMed37542031
UniProtQ55329|PSAJ_SYNY3 Photosystem I reaction center subunit IX (Gene Name=psaJ)

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