Structure of PDB 8t1r Chain A Binding Site BS02

Receptor Information

>8t1r Chain A (length=426) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

LVPRGSIPAEESDQLLIRPLGAGQEVGRSCIILEFKGRKIMLDCGIHPGL
EGMDALPYIDLIDPAEIDLLLISHFHLDHCGALPWFLQKTSFKGRTFMTH
ATKAIYRWLLSDYVKVDMLYTETDLEESMDKIETINFHEVKEVAGIKFWC
YHAGHVLGAAMFMIEIAGVKLLYTGDFSRQEDRHLMAAEIPNIKPDILII
ESTYGTHIHEKREEREARFCNTVHDIVNRGGRGLIPVFALGRAQELLLIL
DEYWQNHPELHDIPIYYASSVFKHISNLKSMDHFDDIGPSVVMASPGMMQ
SGLSRELFESWCTDKRNGVIIAGYCVEGTLAKHIMSEPEEITTMSGQKLP
LKMSVDYISFSAHTDYQQTSEFIRALKPPHVILVHGEQNEMARLKAALIR
EYEDNDEVHIEVHNPRNTEAVTLNFR

Ligand information

Ligand ID

InChI

InChI=1S/Fe/q+3

InChIKey

VTLYFUHAOXGGBS-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 CACTVS 3.341 OpenEye OEToolkits 1.5.0	[Fe+3]

Formula

Name

FE (III) ION

PDB chain

8t1r Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8t1r Anticancer benzoxaboroles inhibit pre-mRNA processing by direct inhibition of CPSF3
Resolution	2.2 Å
Binding residue (original residue number in PDB)	D75 H76 D179 H418
Binding residue (residue number reindexed from 1)	D78 H79 D176 H385
Annotation score	4

Enzymatic activity

Enzyme Commision number

3.1.27.-

External links

PDB	RCSB:8t1r, PDBe:8t1r, PDBj:8t1r
PDBsum	8t1r
PubMed	37967558
UniProt	Q9UKF6\|CPSF3_HUMAN Cleavage and polyadenylation specificity factor subunit 3 (Gene Name=CPSF3)

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