Structure of PDB 8t1q Chain A Binding Site BS02

Receptor Information
>8t1q Chain A (length=433) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LVPRGSAIPAEESDQLLIRPLGAGQEVGRSCIILEFKGRKIMLDCGIHPG
LEGMDALPYIDLIDPAEIDLLLISHFHLDHCGALPWFLQKTSFKGRTFMT
HATKAIYRWLLSDYVKVMLYTETDLEESMDKIETINFHEVKEVAGIKFWC
YHAGHVLGAAMFMIEIAGVKLLYTGDFSRQEDRHLMAAEIPNIKPDILII
ESTYGTHIHEKREEREARFCNTVHDIVNRGGRGLIPVFALGRAQELLLIL
DEYWQNHPELHDIPIYYASSAVYQTYFVFKHISNLKSMDHFDDIGPSVVM
ASPGMMQSGLSRELFESWCTDKRNGVIIAGYCVEGTLAKHIMSEPEEITT
MSGQKLPLKMSVDYISFSAHTDYQQTSEFIRALKPPHVILVHGEQNEMAR
LKAALIREYEDNDEVHIEVHNPRNTEAVTLNFR
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain8t1q Chain A Residue 505 [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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PDB8t1q Anticancer benzoxaboroles inhibit pre-mRNA processing by direct inhibition of CPSF3
Resolution1.7 Å
Binding residue
(original residue number in PDB)		D75 H76 D179 H418
Binding residue
(residue number reindexed from 1)		D79 H80 D176 H392
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.27.-
External links
PDB RCSB:8t1q, PDBe:8t1q, PDBj:8t1q
PDBsum8t1q
PubMed37967558
UniProtQ9UKF6|CPSF3_HUMAN Cleavage and polyadenylation specificity factor subunit 3 (Gene Name=CPSF3)

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