Structure of PDB 4to6 Chain B

Receptor sequence

>4to6B (length=480) Species: 9606 (Homo sapiens)

TMKVINDPIHGHIELHPLLVRIIDTPQFQRLRYIKQLGGGYYVFPGASHN
RFEHSLGVGYLAGCLVHALGEKQPELQISERDVLCVQIAGLCRNLGHGPF
SHMFDGRFIPLARPEVKWTHEQGSVMMFEHLINSNGIKPVMEQYGLIPEE
DICFIKEQIVGPLELWPYKGRPENKSFLYEIVSNKRNGIDVDKWDYFARD
CHHLGIQNNFDYKRFIKFARVCEVDNELRICARDKEVGNLYDMFHTRNSL
HRRAYQHKVGNIIDTMITDAFLKADDYIEITGAGGKKYRISTAIDDMEAY
TKLTDNIFLEILYSTDPKLKDAREILKQIEYRNLFKYVGETQPTGQIKIK
REDYESLPKEVASAKPKVLLDVKLKAEDFIVDVINMDYGMQEKNPIDHVS
FYCKTAPNRAIRITKNQVSQLLPEKFAEQLIRVYCKKVDRKSLYAARQYF
VQWCADRNFTKPQDGDVIAPLITPQKKEWN

3D structure

• PDB: 4to6 Structural basis of cellular dNTP regulation by SAMHD1.
• Chain: B
• Resolution: 2.33 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	B	V117 N119	V4 N6
BS02	TTP	B	Q149 L150 R164 R206 H210 H215 H233 D311 K312 Y315 D319 R366 Y374	Q36 L37 R51 R93 H97 H102 H120 D192 K193 Y196 D200 R247 Y255
BS03	DGT	B	Y155 V156 V378 R451 K455	Y42 V43 V259 R332 K336
BS04	DTP	B	R333 R352 K354 N358 K523	R214 R233 K235 N239 K404
BS05	DGT	B	K116 V117 I118 D137 R145	K3 V4 I5 D24 R32
BS06	DTP	B	V156 F157 R372 H376 K377	V43 F44 R253 H257 K258

External links

• PDB: RCSB:4to6, PDBe:4to6, PDBj:4to6
• PDBsum: 4to6
• PubMed: 25267621
• UniProt: Q9Y3Z3|SAMH1_HUMAN Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 (Gene Name=SAMHD1)