Structure of PDB 8xlp Chain 1 Binding Site BS17

Receptor Information
>8xlp Chain 1 (length=190) Species: 52970 (Rhodomonas salina) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YQEGVLQGLGVDAIPGTDRPKNLDGTLVGDIGFDPLGFSNWLDLRWAREA
EIKHGRVAMLAATGMIVQDVYKFPGVQQTFGDASMMKLHNVAVGQGAMQQ
LFLWITVLETLTGIPAIIQTLKGSERQPGDFGFDPLGCGSNPEQLARRQL
VELKNGRLAMIAVGGMVHHYLLVGRGPIEFIKNIPNFKNP
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 chain8xlp Chain 1 Residue 617 [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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PDB8xlp Structure of inactive Photosystem II associated with CAC antenna from Rhodomonas Salina
Resolution2.57 Å
Binding residue
(original residue number in PDB)
F73 D74 P75 L76 F78 A101 M105 Q108 M125 M200 V203
Binding residue
(residue number reindexed from 1)
F33 D34 P35 L36 F38 A61 M65 Q68 M85 M160 V163
Annotation score1
External links