Structure of PDB 1z4j Chain A Binding Site BS03

Receptor Information
>1z4j 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]
RALRVLVNMDGVLADFEGGFLRKFRARFPDQPFIALEDRRGFWVSEQYGR
LRPGLSEKAISIWESKNFFFELEPLPGAVEAVKEMASLQNTDVFICTSPI
KMFKYCPYEKYAWVEKYFGPDFLEQIVLTRDKTVVSADLLIDDRPDITGA
EPTPSWEHVLFTACHNQHLQLQPPRRRLHSWADDWKAILDSKRP
Ligand information
Ligand IDU2P
InChIInChI=1S/C9H13N2O9P/c12-3-4-6(14)7(20-21(16,17)18)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyHQIDPEYTETUCNF-XVFCMESISA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C1NC(=O)N(C=C1)C2OC(C(O)C2OP(=O)(O)O)CO
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)OP(=O)(O)O
CACTVS 3.341OC[CH]1O[CH]([CH](O[P](O)(O)=O)[CH]1O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OP(=O)(O)O
CACTVS 3.341OC[C@H]1O[C@H]([C@H](O[P](O)(O)=O)[C@@H]1O)N2C=CC(=O)NC2=O
FormulaC9 H13 N2 O9 P
NamePHOSPHORIC ACID MONO-[2-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-4-HYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-YL] ESTER;
URIDINE-2'-PHOSPHATE;
2'-URIDINEMONOPHOSPHATE
ChEMBLCHEMBL447360
DrugBank
ZINCZINC000004095997
PDB chain1z4j Chain A Residue 3001 [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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PDB1z4j Structural basis for substrate specificity of the human mitochondrial deoxyribonucleotidase
Resolution1.8 Å
Binding residue
(original residue number in PDB)		N41 D43 F49 W76 V77 T130 S131 P132 I133 K165
Binding residue
(residue number reindexed from 1)		N8 D10 F16 W43 V44 T97 S98 P99 I100 K132
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N41 D43 D176
Catalytic site (residue number reindexed from 1) N8 D10 D143
Enzyme Commision number 3.1.3.-
Gene Ontology
Molecular Function
GO:0008253 5'-nucleotidase activity
Biological Process
GO:0009264 deoxyribonucleotide catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1z4j, PDBe:1z4j, PDBj:1z4j
PDBsum1z4j
PubMed16004879
UniProtQ9NPB1|NT5M_HUMAN 5'(3')-deoxyribonucleotidase, mitochondrial (Gene Name=NT5M)

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