Structure of PDB 8pzk Chain A Binding Site BS01

Receptor Information
>8pzk Chain A (length=300) Species: 1173026 (Gloeocapsa sp. PCC 7428) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMTFTIESARSIFPDTQVANVIPATVASFNQLSGEDQLALLWFVYTEMGV
TITPAAVNMIFAEKTLTQIQQMPAQEQTQVMCDLVNHTDTPICRTYSSFG
TNVKLGFWYQLSEWMKQGIVAPIPEGYQLSTKASDVLQAIRQLEPGQQLT
VLQDIVVNMGYTSQQVAPRTQINIEGINNETVLSYMENMNAFNFPAAVAL
FTEDGALQPPFQEPIVGQESILAYMHEECYGLKLIPEQGISEPVEGFTQI
KVTGKVQTPWAGDSVSINLAWRFLLNPQGKIFFVAIDVLASPQELLNMGF
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 chain8pzk Chain A Residue 401 [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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PDB8pzk Structural framework for the understanding spectroscopic and functional signatures of the cyanobacterial Orange Carotenoid Protein families.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		L40 Y44 L107 W110 Y111 S114 M117 L151 T152 Y201 C245 L250 V272 W276 W287 I302
Binding residue
(residue number reindexed from 1)		L41 Y45 L105 W108 Y109 S112 M115 L149 T150 Y185 C229 L234 V256 W260 W271 I286
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0031404 chloride ion binding
Biological Process
GO:0016037 light absorption
Cellular Component
GO:0009579 thylakoid
GO:0016020 membrane
GO:0030089 phycobilisome

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8pzk, PDBe:8pzk, PDBj:8pzk
PDBsum8pzk
PubMed37939760
UniProtK9XH36

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