Structure of PDB 3u1n Chain A Binding Site BS01

Receptor Information
>3u1n Chain A (length=435) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PGDPIHGHIELHPLLVRIIDTPQFQRLRYIKQLGGGYYVFPGASHNRFEH
SLGVGYLAGCLVHALGEKQPELQISERDVLCVQIAGLCHDLGHGPFSHMF
DGRFIPLARPEVKWTHEQGSVMMFEHLINSNGIKPVMEQYGLIPEEDICF
IKEQIVGPLELWPYKGRPENKSFLYEIVSNKRNGIDVDKWDYFARDCHHL
GIQNNFDYKRFIKFARVCEVDNELRICARDKEVGNLYDMFHTRNSLHRRA
YQHKVGNIIDTMITDAFLKADDYIEITGAGGKKYRISTAIDDMEAYTKLT
DNIFLEILYSTDPKLKDAREILKQIEYRNLFKYVGETQPTGQIKIKREDY
ESLPKEVASAKPKVLLDVKLKAEDFIVDVINMDHVSFYCKTAPNRAIAEQ
LIRVYCKKVDRKSLYAARQYFVQWCADRNFTKPQD
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain3u1n Chain A Residue 1 [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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PDB3u1n HIV-1 restriction factor SAMHD1 is a deoxynucleoside triphosphate triphosphohydrolase
Resolution3.1 Å
Binding residue
(original residue number in PDB)
R164 D207 H215 H233 D311
Binding residue
(residue number reindexed from 1)
R47 D90 H98 H116 D188
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.5.-
External links
PDB RCSB:3u1n, PDBe:3u1n, PDBj:3u1n
PDBsum3u1n
PubMed22056990
UniProtQ9Y3Z3|SAMH1_HUMAN Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 (Gene Name=SAMHD1)

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