Structure of PDB 5r64 Chain A Binding Site BS01

Receptor Information
>5r64 Chain A (length=197) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMLERTINLYPLTNYTFGTKEPLYEKDSSVAARFQRMREEFDKIGMRRTV
EGVLIVHEHRLPHVLLLQLGTTFFKLPGGELNPGEDEVEGLKRLMTEILG
RQDGVLQDWVIDDCIGNWWRPNFEPPQYPYIPAHITKPKEHKKLFLVQLQ
EKALFAVPKNYKLVAAPLFELYDNAPGYGPIISSLPQLLSRFNFIYN
Ligand information
Ligand IDM0J
InChIInChI=1S/C10H14N2O2/c1-8(13)7-11-10(14)12-9-5-3-2-4-6-9/h2-6,8,13H,7H2,1H3,(H2,11,12,14)/t8-/m0/s1
InChIKeyXEAXHIGGZMUNSO-QMMMGPOBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(CNC(=O)Nc1ccccc1)O
OpenEye OEToolkits 2.0.6C[C@@H](CNC(=O)Nc1ccccc1)O
CACTVS 3.385C[CH](O)CNC(=O)Nc1ccccc1
CACTVS 3.385C[C@H](O)CNC(=O)Nc1ccccc1
ACDLabs 12.01N(C(=O)NCC(O)C)c1ccccc1
FormulaC10 H14 N2 O2
NameN-[(2S)-2-hydroxypropyl]-N'-phenylurea
ChEMBL
DrugBank
ZINCZINC000000395358
PDB chain5r64 Chain A Residue 305 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5r64 PanDDA analysis group deposition
Resolution1.84 Å
Binding residue
(original residue number in PDB)		E81 L97 L106 G108 Y191
Binding residue
(residue number reindexed from 1)		E51 L67 L76 G78 Y161
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:5r64, PDBe:5r64, PDBj:5r64
PDBsum5r64
PubMed
UniProtO43809|CPSF5_HUMAN Cleavage and polyadenylation specificity factor subunit 5 (Gene Name=NUDT21)

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