Structure of PDB 5r5i Chain A Binding Site BS01

Receptor Information

>5r5i 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 ID

S1V

InChI

InChI=1S/C8H12N2O/c1-7(11)10-4-2-8(6-9)3-5-10/h8H,2-5H2,1H3

InChIKey

NFDGRMQIOHRQHF-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CC(=O)N1CCC(CC1)C#N

Formula

C8 H12 N2 O

Name

1-ethanoylpiperidine-4-carbonitrile

PDB chain

5r5i 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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Structure summary

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PDB	5r5i PanDDA analysis group deposition
Resolution	1.7 Å
Binding residue (original residue number in PDB)	F90 E145 H156
Binding residue (residue number reindexed from 1)	F89 E144 H155
Annotation score	1

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:5r5i, PDBe:5r5i, PDBj:5r5i
PDBsum	5r5i
PubMed
UniProt	Q9BRQ3\|NUD22_HUMAN Uridine diphosphate glucose pyrophosphatase NUDT22 (Gene Name=NUDT22)

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