Structure of PDB 8xlp Chain A Binding Site BS06

Receptor Information
>8xlp Chain A (length=327) Species: 52970 (Rhodomonas salina) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SASLWERFCSWITSTDNRLYIGWFGVLMIPTLLTATTVYIIAFIAAPPVD
IDGIREPVAGSLLYGNNIITGAVIPSSASIGIHFYPIWEAASLDEWLYNG
GPYQLIVDHFLLGVCGWIGREWEFSYRLGMRPWISVAFTAPVAAASAVFL
VYPIGQGSFSDGMPLGISGTFNFMLVFQAEHNILMHPFHQLGVAGVFGGS
LFSAMHGSLVTSSLIRETTENESANYGYKFGQEEETYNIVAAHGYFGRLI
FQYASFNNSRALHFFLGLWPVVGIWFTALGIMTMAFNLNGFNFNQSVVDS
QGRVINTWADILNRANLGMEVMHERNA
Ligand information
Ligand IDWVN
InChIInChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1
InChIKeyANVAOWXLWRTKGA-NTXLUARGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C)C)C
CACTVS 3.385CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C)C=CC=C(C)C=C[CH]2C(=CCCC2(C)C)C
CACTVS 3.385CC(=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/[C@H]2C(=CCCC2(C)C)C
OpenEye OEToolkits 2.0.7CC1=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/[C@H]2C(=CCCC2(C)C)C)/C)/C
FormulaC40 H56
Name1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene;
ALPHA-CAROTENE
ChEMBL
DrugBank
ZINC
PDB chain8xlp Chain A Residue 407 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		P39 T43 V47 I50 A54 L106
Binding residue
(residue number reindexed from 1)		P30 T34 V38 I41 A45 L97
Annotation score1
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0009055 electron transfer activity
GO:0016168 chlorophyll binding
GO:0016491 oxidoreductase activity
GO:0016682 oxidoreductase activity, acting on diphenols and related substances as donors, oxygen as acceptor
GO:0046872 metal ion binding
Biological Process
GO:0009635 response to herbicide
GO:0015979 photosynthesis
Cellular Component
GO:0009507 chloroplast
GO:0009523 photosystem II
GO:0009535 chloroplast thylakoid membrane
GO:0009579 thylakoid
GO:0016020 membrane

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8xlp, PDBe:8xlp, PDBj:8xlp
PDBsum8xlp
PubMed
UniProtA6MVT2|PSBA_RHDSA Photosystem II protein D1 (Gene Name=psbA)

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