Structure of PDB 9ima Chain B Binding Site BS02
Receptor Information
>9ima Chain B (length=249) Species:
9606
(Homo sapiens) [
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GPWGIILESLAILGIVVTILLLLAFLFLMRKIQDCSQWNVLPTQLLFLLS
VLGLFGLAFAFIIELNQQTAPVRYFLFGVLFALCFSCLLAHASNLVKLVR
GCVSFSWTTILCIAIGCSLLQIIIATEYVTLIMTRGMMFVNMTPCQLNVD
FVVLLVYVLFLMALTFFVSKATFCGPCENWKQHGRLIFITVLFSIIIWVV
WISMLLRGNPQFQRQPQWDDPVVCIALVTNAWVFLLLYIVPELCILYRS
Ligand information
Ligand ID
CLR
InChI
InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey
HVYWMOMLDIMFJA-DPAQBDIFSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
CACTVS 3.341
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
ACDLabs 10.04
OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C
OpenEye OEToolkits 1.5.0
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
CACTVS 3.341
CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
Formula
C27 H46 O
Name
CHOLESTEROL
ChEMBL
CHEMBL112570
DrugBank
DB04540
ZINC
ZINC000003875383
PDB chain
9ima Chain B Residue 403 [
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Receptor-Ligand Complex Structure
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PDB
9ima
Structural Basis for the Recognition of GPRC5D by Talquetamab, a Bispecific Antibody for Multiple Myeloma.
Resolution
2.65 Å
Binding residue
(original residue number in PDB)
I143 D169 V172
Binding residue
(residue number reindexed from 1)
I124 D150 V153
Annotation score
4
External links
PDB
RCSB:9ima
,
PDBe:9ima
,
PDBj:9ima
PDBsum
9ima
PubMed
39181182
UniProt
Q9NZD1
|GPC5D_HUMAN G-protein coupled receptor family C group 5 member D (Gene Name=GPRC5D)
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