Structure of PDB 5r5q Chain A Binding Site BS01

Receptor Information
>5r5q 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 ID7MU
InChIInChI=1S/C7H7ClN2O/c1-9-7(11)6-4-5(8)2-3-10-6/h2-4H,1H3,(H,9,11)
InChIKeyBGVBBMZMEKXUTR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CNC(=O)c1cc(Cl)ccn1
OpenEye OEToolkits 2.0.6CNC(=O)c1cc(ccn1)Cl
FormulaC7 H7 Cl N2 O
Name4-chloranyl-~{N}-methyl-pyridine-2-carboxamide
ChEMBLCHEMBL4163507
DrugBank
ZINCZINC000001389101
PDB chain5r5q 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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PDB5r5q PanDDA analysis group deposition
Resolution1.71 Å
Binding residue
(original residue number in PDB)		Y87 F90 P120 H156
Binding residue
(residue number reindexed from 1)		Y86 F89 P119 H155
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

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:5r5q, PDBe:5r5q, PDBj:5r5q
PDBsum5r5q
PubMed
UniProtQ9BRQ3|NUD22_HUMAN Uridine diphosphate glucose pyrophosphatase NUDT22 (Gene Name=NUDT22)

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