Structure of PDB 5r51 Chain A Binding Site BS01

Receptor Information
>5r51 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 IDRU4
InChIInChI=1S/C11H11N3O2S/c1-2-12-11(15)16-9-5-3-8(4-6-9)10-7-17-14-13-10/h3-7H,2H2,1H3,(H,12,15)
InChIKeyVSHNRASUUBQGMG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CCNC(=O)Oc1ccc(cc1)c2csnn2
ACDLabs 12.01N(C(Oc1ccc(cc1)c2nnsc2)=O)CC
FormulaC11 H11 N3 O2 S
Name4-(1,2,3-thiadiazol-4-yl)phenyl ethylcarbamate
ChEMBLCHEMBL1308561
DrugBank
ZINCZINC000001387541
PDB chain5r51 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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PDB5r51 PanDDA analysis group deposition
Resolution1.65 Å
Binding residue
(original residue number in PDB)		R139 V143 G154 E189 E193 E247
Binding residue
(residue number reindexed from 1)		R138 V142 G153 E177 E181 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:5r51, PDBe:5r51, PDBj:5r51
PDBsum5r51
PubMed
UniProtQ9BRQ3|NUD22_HUMAN Uridine diphosphate glucose pyrophosphatase NUDT22 (Gene Name=NUDT22)

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