Structure of PDB 6dw5 Chain D

Receptor sequence

>6dw5D (length=481) Species: 9606 (Homo sapiens)

DTMKVINDPIHGHIELHPLLVRIIDTPQFQRLRYIKQLGGGYYVFPGASH
NRFEHSLGVGYLAGCLVHALGEKQPELQISERDVLCVQIAGLCRNLGHGP
FSHMFDGRFIPLARPEVKWTHEQGSVMMFEHLINSNGIKPVMEQYGLIPE
EDICFIKEQIVGPLELWPYKGRPENKSFLYEIVSNKRNGIDVDKWDYFAR
DCHHLGIQNNFDYKRFIKFARVCEVDNELRICARDKEVGNLYDMFHTRNS
LHRRAYQHKVGNIIDTMITDAFLKADDYIEITGAGGKKYRISTAIDDMEA
YTKLTDNIFLEILYSTDPKLKDAREILKQIEYRNLFKYVGETQPTGQIKI
KREDYESLPKEVASAKPKVLLDVKLKAEDFIVDVINMDYGMQEKNPIDHV
SFYCKTAPNRAIRITKNQVSQLLPEKFAEQLIRVYCKKVDRKSLYAARQY
FVQWCADRNFTKPQDGDVIAPLITPQKKEWN

3D structure

• PDB: 6dw5 The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
• Chain: D
• Resolution: 1.93 Å

Enzymatic activity

• Enzyme Commision number: 3.1.5.-

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	GTP	D	K116 V117 I118 D137 Q142 R145	K4 V5 I6 D25 Q30 R33
BS02	DTP	D	V156 F157 H376 K377	V44 F45 H258 K259
BS03	DTP	D	V117 N119	V5 N7
BS04	DTP	D	R333 R352 K354 N358 K523	R215 R234 K236 N240 K405
BS05	GTF	D	Q149 L150 R164 R206 H215 H233 K312 Y315 D319 R366 Y374 Q375	Q37 L38 R52 R94 H103 H121 K194 Y197 D201 R248 Y256 Q257
BS06	GTP	D	Y155 V156 V378 R451 K455	Y43 V44 V260 R333 K337
BS07	MG	D	H210 H233	H98 H121

External links

• PDB: RCSB:6dw5, PDBe:6dw5, PDBj:6dw5
• PDBsum: 6dw5
• PubMed: 30305425
• UniProt: Q9Y3Z3|SAMH1_HUMAN Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 (Gene Name=SAMHD1)