Structure of PDB 7ymm Chain 42 Binding Site BS22

Receptor Information
>7ymm Chain 42 (length=349) Species: 329726 (Acaryochloris marina MBIC11017) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQTYGNQNVEYGWWSGNSRFTDFSAQFLAAHIGQIASMTFFAGSITLFEL
SRYNPDIPLYAQGFVCLPQLSRVGFGVGAGGAVVDTYPFFAVGMIHLFAA
AVFGSGAIFHILTGPKVLADSDSAASQRFHFEWDDFETQGRILGHHLLFL
GSGALLFVVWAATHGIYDPNVGEVRAVSPGFDIVRIFKYGWATPGFNPFF
VDNLEDVMGGHLFIALIDIAGGIYHILVKPWPYTERIFTKSGEALLGYAL
GGLGLMGLVAAYFCSVNDVVFPVEFFGPVLQPNLGFLPNFADTLDVSASG
HTSRFWIANFHYFWGFYCIQGHLFHALRASGFDFRVLTKFFTTETVELG
Ligand information
Ligand IDZEX
InChIInChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-35-25-34(6)38(42)28-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-37-33(5)26-36(41)27-40(37,9)10/h11-25,34,36,38,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,36-,38+/m0/s1
InChIKeyYRMDXLDAZBQLBK-WIHRHFSMSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[CH]1C=C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2=C(C)C[CH](O)CC2(C)C)C(C)(C)C[CH]1O
OpenEye OEToolkits 1.5.0CC1C=C(C(CC1O)(C)C)C=CC(=C\C=C\C(=CC=CC=C(C)C=C\C=C(/C)\C=CC2=C(C[C@@H](CC2(C)C)O)C)C)C
ACDLabs 10.04OC2CC(=C(\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=CC(C)C(O)CC1(C)C)C)C)C)C)C(C)(C)C2)C
OpenEye OEToolkits 1.5.0CC1C=C(C(CC1O)(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 3.341C[C@H]1C=C(/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)C[C@H](O)CC2(C)C)C(C)(C)C[C@H]1O
FormulaC40 H56 O2
Name(1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol
ChEMBL
DrugBank
ZINC
PDB chain7ymm Chain 42 Residue 519 [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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PDB7ymm Structure of a large photosystem II supercomplex from Acaryochloris marina.
Resolution3.6 Å
Binding residue
(original residue number in PDB)		W14 N289 F305 F313 Y317
Binding residue
(residue number reindexed from 1)		W14 N289 F305 F313 Y317
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016168 chlorophyll binding
Biological Process
GO:0009767 photosynthetic electron transport chain
GO:0015979 photosynthesis
GO:0019684 photosynthesis, light reaction
Cellular Component
GO:0009521 photosystem
GO:0016020 membrane
GO:0031676 plasma membrane-derived thylakoid membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7ymm, PDBe:7ymm, PDBj:7ymm
PDBsum7ymm
PubMed38394197
UniProtB0C3E5

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