Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T58679 Target Info
Target Name Polyadenylate-binding protein 1 (PABPC1)
Synonyms PABP-1; Poly(A)-binding protein 1
Target Type Clinical trial Target
Gene Name PABPC1
UniProt ID
PABP1_HUMAN
Ligand General Information  Top
Ligand Name (2~{r},3~{r},4~{s},5~{r})-2-(6-Aminopurin-9-Yl)-5-[(~{e})-Prop-1-Enyl]oxolane-3,4-Diol Ligand Info
Canonical SMILES CC=CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI 1S/C12H15N5O3/c1-2-3-6-8(18)9(19)12(20-6)17-5-16-7-10(13)14-4-15-11(7)17/h2-6,8-9,12,18-19H,1H3,(H2,13,14,15)/b3-2+/t6-,8-,9-,12-/m1/s1
InChIKey UYHMWDPUDJRZGB-JVINVVEESA-N
PubChem Compound ID 124222421
Drug Binding Sites of Target  Top
PDB ID: 5LGR      Crystal structure of mouse CARM1 in complex with ligand P1C3u
Method X-ray diffraction Resolution 2.00 Å Mutation No [1]
PDB Sequence
QNMPGAIRPA
3
A
Residue
Distance (Å)
ILE0
4.742
Residue
Distance (Å)
ARG1
1.456
PDB ID: 5LGS      Crystal structure of mouse CARM1 in complex with ligand P2C3u
Method X-ray diffraction Resolution 2.10 Å Mutation No [1]
PDB Sequence
AAPRPPFS
Residue
Distance (Å)
PRO0
4.953
Residue
Distance (Å)
ARG1
1.456
References  Top
REF 1 Transition state mimics are valuable mechanistic probes for structural studies with the arginine methyltransferase CARM1. Proc Natl Acad Sci U S A. 2017 Apr 4;114(14):3625-3630.

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