Structure of PDB 3u1n Chain B Binding Site BS02

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 IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain3u1n Chain B Residue 4 [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)		H167 H206 D207 D311
Binding residue
(residue number reindexed from 1)		H50 H89 D90 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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