Structure of PDB 5r5r Chain A Binding Site BS02

Receptor Information

>5r5r 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

S34

InChI

InChI=1S/C9H9N3O/c10-4-1-9(13)12-7-8-2-5-11-6-3-8/h2-3,5-6H,1,7H2,(H,12,13)

InChIKey

ACPRFCGKSGKRCH-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cnccc1CNC(=O)CC#N
CACTVS 3.385	O=C(CC#N)NCc1ccncc1

Formula

C9 H9 N3 O

Name

2-cyano-~{N}-(pyridin-4-ylmethyl)ethanamide

PDB chain

5r5r Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

PDB	5r5r PanDDA analysis group deposition
Resolution	1.65 Å
Binding residue (original residue number in PDB)	Y87 F90 E145 H156
Binding residue (residue number reindexed from 1)	Y86 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

View graph for
Molecular Function

View graph for
Cellular Component

External links

PDB	RCSB:5r5r, PDBe:5r5r, PDBj:5r5r
PDBsum	5r5r
PubMed
UniProt	Q9BRQ3\|NUD22_HUMAN Uridine diphosphate glucose pyrophosphatase NUDT22 (Gene Name=NUDT22)

[Back to BioLiP]