Structure of PDB 5r4q Chain B Binding Site BS02

Receptor Information
>5r4q Chain B (length=196) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLERTINLYPLTNYTFGTKEPLYEKDSSVAARFQRMREEFDKIGMRRTVE
GVLIVHEHRLPHVLLLQLGTTFFKLPGGELNPGEDEVEGLKRLMTEILGR
QDGVLQDWVIDDCIGNWWRPNFEPPQYPYIPAHITKPKEHKKLFLVQLQE
KALFAVPKNYKLVAAPLFELYDNAPGYGPIISSLPQLLSRFNFIYN
Ligand information
Ligand IDRW7
InChIInChI=1S/C14H18N2O2/c1-4-9-14(2)13(18)15-11-8-6-5-7-10(11)12(17)16(14)3/h5-8H,4,9H2,1-3H3,(H,15,18)/t14-/m0/s1
InChIKeyCNQOZARVGPMUHF-AWEZNQCLSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCC[C]1(C)N(C)C(=O)c2ccccc2NC1=O
ACDLabs 12.01N2c1ccccc1C(=O)N(C)C(C)(CCC)C2=O
OpenEye OEToolkits 2.0.6CCC[C@]1(C(=O)Nc2ccccc2C(=O)N1C)C
OpenEye OEToolkits 2.0.6CCCC1(C(=O)Nc2ccccc2C(=O)N1C)C
CACTVS 3.385CCC[C@]1(C)N(C)C(=O)c2ccccc2NC1=O
FormulaC14 H18 N2 O2
Name(3S)-3,4-dimethyl-3-propyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
ChEMBL
DrugBank
ZINC
PDB chain5r4q Chain B Residue 305 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5r4q PanDDA analysis group deposition
Resolution1.49 Å
Binding residue
(original residue number in PDB)		L53 G108 I128 Y191
Binding residue
(residue number reindexed from 1)		L22 G77 I97 Y160
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0031124 mRNA 3'-end processing
Cellular Component
GO:0005849 mRNA cleavage factor complex

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Cellular Component
External links
PDB RCSB:5r4q, PDBe:5r4q, PDBj:5r4q
PDBsum5r4q
PubMed
UniProtO43809|CPSF5_HUMAN Cleavage and polyadenylation specificity factor subunit 5 (Gene Name=NUDT21)

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