Structure of PDB 6txa Chain M Binding Site BS02

Receptor Information
>6txa Chain M (length=476) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKVINDPIHGHIELHPLLVRIINTPQFQRLRYIKQLGGGYYVFPGASHNR
FEHSLGVGYLAGCLVHALGEKQPELQISERDVLCVQIAGLCHDLGHGPFS
HMFDGRFIPLARPEVKWTHEQGSVMMFEHLINSNGIKPVMEQYGLIPEED
ICFIKEQIVGPWPYKGRPENKSFLYEIVSNKRNGIDVDKWDYFARDCHHL
GIQNNFDYKRFIKFARVCEVDNELRICARDKEVGNLYDMFHTRNSLHRRA
YQHKVGNIIDTMITDAFLKADDYIEITGAGGKKYRISTAIDDMEAYTKLT
DNIFLEILYSTDPKLKDAREILKQIEYRNLFKYVGETQPTGQIKIKREDY
ESLPKEVASAKPKVLLDVKLKAEDFIVDVINMDYGMQEKNPIDHVSFYCK
TAPNRAIRITKNQVSQLLPEKFAEQLIRVYCKKVDRKSLYAARQYFVQWC
ADRNFTKPQDGDVIAPLITPQKKEWN
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 chain6txa Chain M Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6txa Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis.
Resolution2.853 Å
Binding residue
(original residue number in PDB)		D207 H233
Binding residue
(residue number reindexed from 1)		D93 H119
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.5.-
External links
PDB RCSB:6txa, PDBe:6txa, PDBj:6txa
PDBsum6txa
PubMed32576829
UniProtQ9Y3Z3|SAMH1_HUMAN Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 (Gene Name=SAMHD1)

[Back to BioLiP]