Structure of PDB 6dw3 Chain A

Receptor sequence

>6dw3A (length=480) Species: 9606 (Homo sapiens)

TMKVINDPIHGHIELHPLLVRIIDTPQFQRLRYIKQLGGGYYVFPGASHN
RFEHSLGVGYLAGCLVHALGEKQPELQISERDVLCVQIAGLCRNLGHGPF
SHMFDGRFIPLARPEVKWTHEQGSVMMFEHLINSNGIKPVMEQYGLIPEE
DICFIKEQIVGPLELWPYKGRPENKSFLYEIVSNKRNGIDVDKWDYFARD
CHHLGIQNNFDYKRFIKFARVCEVDNELRICARDKEVGNLYDMFHTRNSL
HRRAYQHKVGNIIDTMITDAFLKADDYIEITGAGGKKYRISTAIDDMEAY
TKLTDNIFLEILYSTDPKLKDAREILKQIEYRNLFKYVGETQPTGQIKIK
REDYESLPKEVASAKPKVLLDVKLKAEDFIVDVINMDYGMQEKNPIDHVS
FYCKTAPNRAIRITKNQVSQLLPEKFAEQLIRVYCKKVDRKSLYAARQYF
VQWCADRNFTKPQDGDVIAPLITPQKKEWN

3D structure

• PDB: 6dw3 The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
• Chain: A
• Resolution: 2.2 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	A	Y155 V156 R451	Y42 V43 R332
BS02	DTP	A	V156 F157 R372 H376 K377	V43 F44 R253 H257 K258
BS03	DTP	A	V117 N119	V4 N6
BS04	GTP	A	K116 V117 I118 D137 Q142 R145	K3 V4 I5 D24 Q29 R32
BS05	DTP	A	R333 R352 K354 N358 K523	R214 R233 K235 N239 K404
BS06	HF4	A	Q149 L150 R164 R206 H210 H215 H233 K312 Y315 D319 R366 Y374	Q36 L37 R51 R93 H97 H102 H120 K193 Y196 D200 R247 Y255

External links

• PDB: RCSB:6dw3, PDBe:6dw3, PDBj:6dw3
• PDBsum: 6dw3
• PubMed: 30305425
• UniProt: Q9Y3Z3|SAMH1_HUMAN Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 (Gene Name=SAMHD1)