Structure of PDB 8gb1 Chain D Binding Site BS03

Receptor Information
>8gb1 Chain D (length=466) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DTMKVINDPIHGHIELHPLLVRIIDTPQFQRLRYIKQLGGGYYVFPGASH
NRFEHSLGVGYLAGCLVHALGEKQPELQISERDVLCVQIAGLCHDLGHGP
FSHMFDGRFIPLARPEVKWTHEQGSVMMFEHLINSNGIKPVMEQYGLIPE
EDICFIKEQIVGPLESPVEDSLWPYKGRPENKSFLYEIVSNKRNGIDVDK
WDYFARDCHHLGIQNNFDYKRFIKFARVCEVDNELRICARDKEVGNLYDM
FHTRNSLHRRAYQHKVGNIIDTMITDAFLKADDYIEITGAGGKKYRISTA
IDDMEAYTKLTDNIFLEILYSTDPKLKDAREILKQIEYRNLFKYVGETQP
TGQIKIKREDYESLPKEVASAKPKVLLDVKLKAEDFIVDVINMDNPIDHV
SFYCKTAPNRAIRITKNQVSQLLPEKFAEQLIRVYCKKVDRKSLYAARQY
FVQWCADRNFTKPQDG
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain8gb1 Chain D Residue 702 [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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PDB8gb1 Deoxyguanosine-Linked Bifunctional Inhibitor of SAMHD1 dNTPase Activity and Nucleic Acid Binding.
Resolution2.46 Å
Binding residue
(original residue number in PDB)		H167 H206 D207 D311
Binding residue
(residue number reindexed from 1)		H55 H94 D95 D199
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.5.-
External links
PDB RCSB:8gb1, PDBe:8gb1, PDBj:8gb1
PDBsum8gb1
PubMed37233733
UniProtQ9Y3Z3|SAMH1_HUMAN Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 (Gene Name=SAMHD1)

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