Structure of PDB 5ao4 Chain C Binding Site BS01

Receptor Information
>5ao4 Chain C (length=389) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PMKVINDPIHGHIELHPLLVRIIDTPQFQRLRYIKQLGGGYYVFPGASHN
RFEHSLGVGYLAGCLVHALGEKQPELQISERDVLCVQIAGLCHDLGHGPF
SHMFDGRFIPLARPEVKWTHEQGSVMMFEHLINSNGIKPVMEQYGLIPEE
DICFIKEQIVGPLLWPYKGRPENKSFLYEIVSNKRNGIDVDKWDYFARDC
HHLGIQNNFDYKRFIKFARVCEVDNELRICARDKEVGNLYDMFHTRNSLH
RRAYQHKVGNIIDTMITDAFLKADYRISTAIDDMEAYTKLTDNIFLEILY
STDPKLKDAREILKQIEYRNLFKYVGETIKREDYESLPKEEDFIVDVINM
VSFYCEQLIRVYCKKVDRKSLYAARQYFVQWCADRNFTK
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 chain5ao4 Chain C Residue 1581 [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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PDB5ao4 Phospho-Dependent Regulation of Samhd1 Oligomerisation Couples Catalysis and Restriction.
Resolution3.7 Å
Binding residue
(original residue number in PDB)		H167 D207 D311
Binding residue
(residue number reindexed from 1)		H54 D94 D191
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.5.-
External links
PDB RCSB:5ao4, PDBe:5ao4, PDBj:5ao4
PDBsum5ao4
PubMed26431200
UniProtQ9Y3Z3|SAMH1_HUMAN Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 (Gene Name=SAMHD1)

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