Structure of PDB 3u1n Chain B Binding Site BS01

Receptor Information
>3u1n Chain B (length=434) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PGDPIHGHIELHPLLVRIIDTPQFQRLRYIKQLGGGYYVFPGASHNRFEH
SLGVGYLAGCLVHALGEKQPELQISERDVLCVQIAGLCHDLGHGPFSHMF
DGRFIPLARPEVKWTHEQGSVMMFEHLINSNGIKPVMEQYGLIPEEDICF
IKEQIVGPLLWPYKGRPENKSFLYEIVSNKRNGIDVDKWDYFARDCHHLG
IQNNFDYKRFIKFARVCEVDNELRICARDKEVGNLYDMFHTRNSLHRRAY
QHKVGNIIDTMITDAFLKADDYIEITGAGGKKYRISTAIDDMEAYTKLTD
NIFLEILYSTDPKLKDAREILKQIEYRNLFKYVGETQPTGQIKIKREDYE
SLPKEVASAKPKVLLDVKLKAEDFIVDVINMHVSFYCKTAPNRAIRAEQL
IRVYCKKVDRKSLYAARQYFVQWCADRNFTKPQD
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 B Residue 2 [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 D311
Binding residue
(residue number reindexed from 1)		R47 D90 H98 D187
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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