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Structure of PDB 8xkl Chain p Binding Site BS18

Receptor Information
>8xkl Chain p (length=187) Species: 173977 (Chroomonas placoidea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VFPGQFSDSVPFLKQPTNLDGSYVGDVGFDPLGFSDVFDIRVLREAELKH
GRIAMLATLGMVVQEAYTFPFFDKVLPIPAHDVIVKSGGMSQILLWTSFA
EIFGGIALFQTIQGKRAPGDYSFDPLNLSANDLEKRERYALAEIKHSRLA
MLAFSGMVHQYFITNQGVIEQINNFRPINGFPDATFS
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 chain8xkl Chain p Residue 316 [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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PDB8xkl Structure and distinct supramolecular organization of a PSII-ACPII dimer from a cryptophyte alga Chroomonas placoidea.
Resolution2.84 Å
Binding residue
(original residue number in PDB)		F60 P62 L63 F65 I84 A88 Q95 P108 M182 F185
Binding residue
(residue number reindexed from 1)		F29 P31 L32 F34 I53 A57 Q64 P77 M151 F154
Annotation score1
External links

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