Structure of PDB 8wmv Chain n Binding Site BS15

Receptor Information
>8wmv Chain n (length=181) Species: 52970 (Rhodomonas salina) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LWNEGKIQGKGVSVIPLFPRPASLDGTFPGDQGFDPFGFSSWVNMKFVAE
AEIKHCRLAMLAFAGIMVESAGISFPGATSVLGSSKNIFEIHDKAVASGA
MGQILLWVSFFEVVAGVPAMNEMLNGESSRIPGYYAFDPLGQGKGDKMGR
MQLSEIQNGRLAMLAVSGIVHHTLITGKGPL
Ligand information
Ligand IDII0
InChIInChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1
InChIKeyDVICWXUADSCSLL-DDEWRDOISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1=C(C(C[C@@H](C1)O)(C)C)C#C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C#CC2=C(C[C@H](CC2(C)C)O)C)\C)\C)/C)/C
CACTVS 3.385CC(=C\C=C\C=C(C)\C=C\C=C(C)\C#CC1=C(C)C[C@@H](O)CC1(C)C)/C=C/C=C(C)/C#CC2=C(C)C[C@@H](O)CC2(C)C
OpenEye OEToolkits 2.0.7CC1=C(C(CC(C1)O)(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 3.385CC(=CC=CC=C(C)C=CC=C(C)C#CC1=C(C)C[CH](O)CC1(C)C)C=CC=C(C)C#CC2=C(C)C[CH](O)CC2(C)C
FormulaC40 H52 O2
Name(1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol;
Alloxanthin
ChEMBL
DrugBank
ZINC
PDB chain8wmv Chain n Residue 615 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8wmv Growth phase-dependent reorganization of cryptophyte photosystem I antennae.
Resolution2.94 Å
Binding residue
(original residue number in PDB)
D72 P73 F74 F76 H92 A99 E106 I125 H129
Binding residue
(residue number reindexed from 1)
D35 P36 F37 F39 H55 A62 E69 I88 H92
Annotation score1
External links