Structure of PDB 5r55 Chain A Binding Site BS01

Receptor Information

>5r55 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

RYP

InChI

InChI=1S/C7H10N2/c1-8-6-7-2-4-9-5-3-7/h2-5,8H,6H2,1H3

InChIKey

DNBWGFKLIBQQSL-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CNCc1ccncc1

Formula

C7 H10 N2

Name

~{N}-methyl-1-pyridin-4-yl-methanamine

PDB chain

5r55 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	5r55 PanDDA analysis group deposition
Resolution	1.48 Å
Binding residue (original residue number in PDB)	V123 G124 D151 V152 G154 S220 E222 S274
Binding residue (residue number reindexed from 1)	V122 G123 D150 V151 G153 S208 E210 S262
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:5r55, PDBe:5r55, PDBj:5r55
PDBsum	5r55
PubMed
UniProt	Q9BRQ3\|NUD22_HUMAN Uridine diphosphate glucose pyrophosphatase NUDT22 (Gene Name=NUDT22)

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