Structure of PDB 5r59 Chain A Binding Site BS01

Receptor Information
>5r59 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 ID6SU
InChIInChI=1S/C9H11NO4S/c1-14-9(11)7-4-3-5-8(6-7)10-15(2,12)13/h3-6,10H,1-2H3
InChIKeyUQIOKJVVJMHUTP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.5COC(=O)c1cccc(c1)NS(=O)(=O)C
CACTVS 3.385COC(=O)c1cccc(N[S](C)(=O)=O)c1
FormulaC9 H11 N O4 S
Namemethyl 3-(methylsulfonylamino)benzoate
ChEMBLCHEMBL1384742
DrugBank
ZINCZINC000000143593
PDB chain5r59 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5r59 PanDDA analysis group deposition
Resolution2.11 Å
Binding residue
(original residue number in PDB)		D57 A58 P59 L84 T85 S86
Binding residue
(residue number reindexed from 1)		D56 A57 P58 L83 T84 S85
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
View graph for
Cellular Component
External links
PDB RCSB:5r59, PDBe:5r59, PDBj:5r59
PDBsum5r59
PubMed
UniProtQ9BRQ3|NUD22_HUMAN Uridine diphosphate glucose pyrophosphatase NUDT22 (Gene Name=NUDT22)

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