Structure of PDB 5opk Chain A Binding Site BS01

Receptor Information
>5opk Chain A (length=472) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSWSDRLQNAADMPANMDKHALKKYRREAYHRVFVNRSLAMEKIKCFGFN
MDYTLAVYKSPEYESLGFELTVERLVSIGYPQELLSFAYDSTFPTRGLVF
DTLYGNLLKVDAYGNLLVCAHGFNFIRGPETREQYPNKFIQRDDTERFYI
LNTLFNLPETYLLACLVDFFTNCPRYTSCETGFKDGDLFMSYRSMFQDVR
DAVDWVHYKGSLKEKTVENLEKYVVKDGKLPLLLSRMKEVGKVFLATNSD
YKYTDKIMTYLFDFPHGPKPGSSHRPWQSYFDLILVDARKPLFFGEGTVL
RQVDTKTGKLKIGTYTGPLQHGIVYSGGSSDTICDLLGAKGKDILYIGDH
IFGDILKSKKRQGWQTFLVIPELAQELHVWTDKSSLFEELQSLDIFLAEL
SSIQRRIKKVTHDMDMCYGMMGSLFRSGSRQTLFASQVMRYADLYAASFI
NLLYYPFSYLFRAAHVLMPHES
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 chain5opk Chain A Residue 512 [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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PDB5opk Relapsed acute lymphoblastic leukemia-specific mutations in NT5C2 cluster into hotspots driving intersubunit stimulation.
Resolution1.74 Å
Binding residue
(original residue number in PDB)		N52 D54 D351
Binding residue
(residue number reindexed from 1)		N50 D52 D349
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.
External links
PDB RCSB:5opk, PDBe:5opk, PDBj:5opk
PDBsum5opk
PubMed29535428
UniProtP49902|5NTC_HUMAN Cytosolic purine 5'-nucleotidase (Gene Name=NT5C2)

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