Structure of PDB 3u1n Chain A Binding Site BS01
Receptor Information
>3u1n Chain A (length=435) Species:
9606
(Homo sapiens) [
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PGDPIHGHIELHPLLVRIIDTPQFQRLRYIKQLGGGYYVFPGASHNRFEH
SLGVGYLAGCLVHALGEKQPELQISERDVLCVQIAGLCHDLGHGPFSHMF
DGRFIPLARPEVKWTHEQGSVMMFEHLINSNGIKPVMEQYGLIPEEDICF
IKEQIVGPLELWPYKGRPENKSFLYEIVSNKRNGIDVDKWDYFARDCHHL
GIQNNFDYKRFIKFARVCEVDNELRICARDKEVGNLYDMFHTRNSLHRRA
YQHKVGNIIDTMITDAFLKADDYIEITGAGGKKYRISTAIDDMEAYTKLT
DNIFLEILYSTDPKLKDAREILKQIEYRNLFKYVGETQPTGQIKIKREDY
ESLPKEVASAKPKVLLDVKLKAEDFIVDVINMDHVSFYCKTAPNRAIAEQ
LIRVYCKKVDRKSLYAARQYFVQWCADRNFTKPQD
Ligand information
Ligand ID
PO4
InChI
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKey
NBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
Software
SMILES
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-]
Formula
O4 P
Name
PHOSPHATE ION
ChEMBL
DrugBank
DB14523
ZINC
PDB chain
3u1n Chain A Residue 1 [
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Receptor-Ligand Complex Structure
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PDB
3u1n
HIV-1 restriction factor SAMHD1 is a deoxynucleoside triphosphate triphosphohydrolase
Resolution
3.1 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 score
1
Enzymatic activity
Enzyme Commision number
3.1.5.-
External links
PDB
RCSB:3u1n
,
PDBe:3u1n
,
PDBj:3u1n
PDBsum
3u1n
PubMed
22056990
UniProt
Q9Y3Z3
|SAMH1_HUMAN Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 (Gene Name=SAMHD1)
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