Structure of PDB 6ddc Chain B Binding Site BS01

Receptor Information
>6ddc Chain B (length=474) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKYRREAYHRVFVNRSLAMEKIKCFGFNMDYTLAVYKSPEYESLGFELTV
ERLVSIGYPQELLSFAYDSTFPTRGLVFDTLYGNLLKVDAYGNLLVCAHG
FNFIRGPETREQYPNKFIQRDDTERFYILNTLFNLPETYLLACLVDFFTN
CPRYTSCETGFKDGDLFMSYRSMFQDVRDAVDWVHYKGSLKEKTVENLEK
YVVKDGKLPLLLSRMKEVGKVFLATNSDYKYTDKIMTYLFDFPHGPKPGS
SHRPWQSYFDLILVDARKPLFFGEGTVLRQVDTKTGKLKIGTYTGPLQHG
IVYSGGSSDTICDLLGAKGKDILYIGDHIFGDILKSKKRQGWRTFLVIPE
LAQELHVWTDKSSLFEELQSLDIFLAELYKHLDSSSNERPDISSIQRRIK
KVTHDMDMCYGMMGSLFRSGSRQTLFASQVMRYADLYAASFINLLYYPFS
YLFRAAHVLMPHESTVEHTPLATR
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain6ddc Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ddc Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia.
Resolution2.91 Å
Binding residue
(original residue number in PDB)		N52 D54 D351 H352
Binding residue
(residue number reindexed from 1)		N28 D30 D327 H328
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.1.77: nucleoside phosphotransferase.
3.1.3.5: 5'-nucleotidase.
3.1.3.99: IMP-specific 5'-nucleotidase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008253 5'-nucleotidase activity
GO:0016740 transferase activity
GO:0016787 hydrolase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0050146 nucleoside phosphotransferase activity
GO:0050483 IMP 5'-nucleotidase activity
GO:0050484 GMP 5'-nucleotidase activity
GO:0061630 ubiquitin protein ligase activity
GO:0106411 XMP 5'-nucleosidase activity
Biological Process
GO:0000255 allantoin metabolic process
GO:0006204 IMP catabolic process
GO:0009117 nucleotide metabolic process
GO:0046037 GMP metabolic process
GO:0046040 IMP metabolic process
GO:0046054 dGMP metabolic process
GO:0046085 adenosine metabolic process
GO:0050689 negative regulation of defense response to virus by host
GO:0070936 protein K48-linked ubiquitination
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6ddc, PDBe:6ddc, PDBj:6ddc
PDBsum6ddc
PubMed29990496
UniProtP49902|5NTC_HUMAN Cytosolic purine 5'-nucleotidase (Gene Name=NT5C2)

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