Structure of PDB 5qjy Chain A Binding Site BS03
Receptor Information
>5qjy Chain A (length=194) Species:
9606
(Homo sapiens) [
Search protein sequence
] [
Download receptor structure
] [
Download structure with residue number starting from 1
] [
View receptor structure
]
KQYIISEELISEGKWVKLEKTTYMDPTGKTRTWESVKRTTRKEQTADGVA
VIPVLQRTLHYECIVLVKQFRPPMGGYCIEFPAGLIDDGETPEAAALREL
EEETGYKGDIAECSPAVCMDPGLSNCTIHIVTVTINGDDAENARPKPKPG
DGEFVEVISLPKNDLLQRLDALVAEEHLTVDARVYSYALALKHA
Ligand information
Ligand ID
K2S
InChI
InChI=1S/C7H13N3O2S/c1-5-7(6(2)9-8-5)13(11,12)10(3)4/h1-4H3,(H,8,9)
InChIKey
YJCZGTAEFYFJRJ-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 12.01
n1nc(C)c(c1C)S(N(C)C)(=O)=O
OpenEye OEToolkits 2.0.6
Cc1c(c(n[nH]1)C)S(=O)(=O)N(C)C
CACTVS 3.385
CN(C)[S](=O)(=O)c1c(C)[nH]nc1C
Formula
C7 H13 N3 O2 S
Name
N,N,3,5-tetramethyl-1H-pyrazole-4-sulfonamide
ChEMBL
DrugBank
ZINC
ZINC000004206992
PDB chain
5qjy Chain A Residue 304 [
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
]
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
PDB
5qjy
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
Resolution
1.77 Å
Binding residue
(original residue number in PDB)
W46 E47
Binding residue
(residue number reindexed from 1)
W33 E34
Annotation score
1
Enzymatic activity
Enzyme Commision number
2.7.7.96
: ADP-D-ribose pyrophosphorylase.
3.6.1.13
: ADP-ribose diphosphatase.
3.6.1.58
: 8-oxo-dGDP phosphatase.
Gene Ontology
Molecular Function
GO:0000287
magnesium ion binding
GO:0003723
RNA binding
GO:0005515
protein binding
GO:0016462
pyrophosphatase activity
GO:0016740
transferase activity
GO:0016779
nucleotidyltransferase activity
GO:0016787
hydrolase activity
GO:0017110
nucleoside diphosphate phosphatase activity
GO:0019144
ADP-sugar diphosphatase activity
GO:0030515
snoRNA binding
GO:0042802
identical protein binding
GO:0042803
protein homodimerization activity
GO:0044715
8-oxo-dGDP phosphatase activity
GO:0044716
8-oxo-GDP phosphatase activity
GO:0046872
metal ion binding
GO:0047631
ADP-ribose diphosphatase activity
GO:0140933
5'-(N(7)-methylguanosine 5'-triphospho)-[mRNA] hydrolase activity
Biological Process
GO:0006139
nucleobase-containing compound metabolic process
GO:0006338
chromatin remodeling
GO:0006753
nucleoside phosphate metabolic process
GO:0009117
nucleotide metabolic process
GO:0009191
ribonucleoside diphosphate catabolic process
GO:0019303
D-ribose catabolic process
GO:0019693
ribose phosphate metabolic process
GO:0055086
nucleobase-containing small molecule metabolic process
GO:1990966
ATP generation from poly-ADP-D-ribose
Cellular Component
GO:0005634
nucleus
GO:0005829
cytosol
GO:0070062
extracellular exosome
View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:5qjy
,
PDBe:5qjy
,
PDBj:5qjy
PDBsum
5qjy
PubMed
UniProt
Q9UKK9
|NUDT5_HUMAN ADP-sugar pyrophosphatase (Gene Name=NUDT5)
[
Back to BioLiP
]