Structure of PDB 6dwk Chain C

Receptor sequence

>6dwkC (length=478) Species: 9606 (Homo sapiens)

DTMKVINDPIHGHIELHPLLVRIIDTPQFQRLRYIKQLGGGYYVFPGASH
NRFEHSLGVGYLAGCLVHALGEKQPELQISERDVLCVQIAGLCRNLGHGP
FSHMFDGRFIPLARPEVKWTHEQGSVMMFEHLINSNGIKPVMEQYGLIPE
EDICFIKEQIVGPLWPYKGRPENKSFLYEIVSNKRNGIDVDKWDYFARDC
HHLGIQNNFDYKRFIKFARVCEVDNELRICARDKEVGNLYDMFHTRNSLH
RRAYQHKVGNIIDTMITDAFLKADDYIEITGAGGKKYRISTAIDDMEAYT
KLTDNIFLEILYSTDPKLKDAREILKQIEYRNLFKYVGETQPTGQIKIKR
EDYESLPKEVASAKPKVLLDVKLKAEDFIVDVINMDYGMQEKNPIDHVSF
YCKTAPNRAIRITKNQVSQLLPEKFAEQLIRVYCKKVDRKSLYAARQYFV
QWCADRNFTKPQDGDVIAPLITPQKKEW

3D structure

• PDB: 6dwk The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
• Chain: C
• Resolution: 2.3 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	DTP	C	V156 F157 R372 H376 K377	V44 F45 R252 H256 K257
BS02	GTP	C	K116 V117 I118 D137 Q142 R145	K4 V5 I6 D25 Q30 R33
BS03	DTP	C	R333 R352 K354 N358 K523	R213 R232 K234 N238 K403
BS04	HFD	C	Q149 L150 H215 H233 K312 Y315 D319 Y374	Q37 L38 H103 H121 K192 Y195 D199 Y254
BS05	GTP	C	Y155 V156 V378 R451	Y43 V44 V258 R331
BS06	MG	C	K312 Y315 R366	K192 Y195 R246
BS07	GLY	C	R559 Y563	R439 Y443
BS08	GLY	C	R366 M505 D506	R246 M385 D386
BS09	GLY	C	D195 R290	D83 R170
BS10	DTP	C	V117 N119	V5 N7

External links

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