Structure of PDB 5r50 Chain A Binding Site BS01

Receptor Information
>5r50 Chain A (length=291) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPEVTLLLQCPGGGLPQEQIQAELSPAHDRRPLPGGDEAITAIWETRLKA
QPWLFDAPKFRLHSATLAPIGSRGPQLLLRLGLTSYRDFLGTNWSSSAAW
LRQQGATDWGDTQAYLADPLGVGAALATADDFLVFLRRSRQVAEAPGLVD
VPGGHPEPQDLAGQLVVHELFSSVLQEICDEVNLPLLTLSQPLLLGIARN
ETSAGRASAEFYVQCSLTSEQVRKHYLSGGPEAHESTGIFFVETQNVRRL
PETEMWAELCPSAKGAIILYNRVQGSPTGAALGSPALLPPL
Ligand information
Ligand IDRY4
InChIInChI=1S/C8H12N2O2S/c1-13(11,12)10-8-4-2-7(6-9)3-5-8/h2-5,10H,6,9H2,1H3
InChIKeyIZJVPNBRAKIMBK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[S](=O)(=O)Nc1ccc(CN)cc1
ACDLabs 12.01N(S(C)(=O)=O)c1ccc(cc1)CN
OpenEye OEToolkits 2.0.6CS(=O)(=O)Nc1ccc(cc1)CN
FormulaC8 H12 N2 O2 S
NameN-[4-(aminomethyl)phenyl]methanesulfonamide
ChEMBL
DrugBank
ZINCZINC000001494962
PDB chain5r50 Chain A Residue 401 [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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PDB5r50 PanDDA analysis group deposition
Resolution1.87 Å
Binding residue
(original residue number in PDB)		G155 H156 P157 E189 E247
Binding residue
(residue number reindexed from 1)		G154 H155 P156 E177 E235
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.45: UDP-sugar diphosphatase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008768 UDP-sugar diphosphatase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
GO:0052751 GDP-mannose hydrolase activity
Cellular Component
GO:0005654 nucleoplasm

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Molecular Function
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Cellular Component
External links
PDB RCSB:5r50, PDBe:5r50, PDBj:5r50
PDBsum5r50
PubMed
UniProtQ9BRQ3|NUD22_HUMAN Uridine diphosphate glucose pyrophosphatase NUDT22 (Gene Name=NUDT22)

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