Structure of PDB 1q33 Chain A Binding Site BS01

Receptor Information
>1q33 Chain A (length=292) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ENSHNKARTSPYPGSKVERSQVPNEKVGWLVEWQDYKPVEYTAVSVLAGP
RWADPQISESNFSPKFNEKDGHVERKSKNGLYEIENGRPRNPAGRTGLVG
RGLLGRWGPNHAADPIITRWKRDSSGNKIMHPVSGKHILQFVAIKRKDCG
EWAIPGGMVDPGEKISATLKREFGEEALNSLQKTSAEKREIEEKLHKLFS
QDHLVIYKGYVDDPRNTDNAWMETEAVNYHDETGEIMDNLMLEAGDDAGK
VKWVDINDKLKLYASHSQFIKLVAEKRDAHWSEDSEADCHAL
Ligand information
Ligand IDBGC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain1q33 Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1q33 The Crystal Structure and Mutational Analysis of Human NUDT9
Resolution1.81 Å
Binding residue
(original residue number in PDB)		D172 G214 G215 V269 R273 M280 H324
Binding residue
(residue number reindexed from 1)		D114 G156 G157 V211 R215 M222 H266
Annotation score2
Enzymatic activity
Enzyme Commision number 3.6.1.13: ADP-ribose diphosphatase.
Gene Ontology
Molecular Function
GO:0047631 ADP-ribose diphosphatase activity

View graph for
Molecular Function
External links
PDB RCSB:1q33, PDBe:1q33, PDBj:1q33
PDBsum1q33
PubMed12948489
UniProtQ9BW91|NUDT9_HUMAN ADP-ribose pyrophosphatase, mitochondrial (Gene Name=NUDT9)

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