Structure of PDB 7a5y Chain H Binding Site BS07

Receptor Information
>7a5y Chain H (length=449) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TMKVINDPIHGHIELHPLLVRIIDTPQFQRLRYIKQLGGGYYVFPGASHN
RFEHSLGVGYLAGCLVHALGEKQPELQISERDVLCVQIAGLCHDLGHGPF
SAMFDGRFIPLARPEVKWTHEQGSVMMFEHLINSNGIKPVMEQYGLIPEE
DICFIKEQIVGPLWPYKGRPENKSFLYEIVSNKRNGIDVDKWDYFARDCH
HLGIQNNFDYKRFIKFARVCEVDNELRICARDKEVGNLYDMFHTRNSLHR
RAYQHKVGNIIDTMITDAFLKADDYIEITGAGGKKYRISTAIDDMEAYTK
LTDNIFLEILYSTDPKLKDAREILKQIEYRNLFKYVGETQPKIKREDYES
LPKEVASAKPLKAEDFIVDVINMDYGMQEKNPIDHVSFYCKTAPNRAIRI
TKNQVSQLLPEKFAEQLIRVYCKKVDRKSLYAARQYFVQWCADRNFTKP
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 chain7a5y Chain H Residue 704 [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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PDB7a5y Probing the Catalytic Mechanism and Inhibition of SAMHD1 Using the Differential Properties of R p - and S p -dNTP alpha S Diastereomers.
Resolution2.29 Å
Binding residue
(original residue number in PDB)		D207 H233
Binding residue
(residue number reindexed from 1)		D94 H120
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.5.-
External links
PDB RCSB:7a5y, PDBe:7a5y, PDBj:7a5y
PDBsum7a5y
PubMed33988981
UniProtQ9Y3Z3|SAMH1_HUMAN Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 (Gene Name=SAMHD1)

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