Structure of PDB 6txc Chain C

Receptor sequence

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

TMKVINDPIHGHIELHPLLVRIIDTPQFQRLRYIKQLGGGYYVFPGASHN
RFEHSLGVGYLAGCLVHALGEKQPELQISERDVLCVQIAGLCHDLGHGPF
SHMFDGRFIPLARPEVKWTHEQGSVMMFEHLINSNGIKPVMEQYGLIPEE
DICFIKEQIVGPLELWPYKGRPENKSFLYEIVSNKRNGIDVDKWDYFARD
CHHLGIQNNFDYKRFIKFARVCEVDNELRICARDKEVGNLYDMFHTRNSL
HRRAYQHKVGNIIDTMITDAFLKADDYIEITGAGGKKYRISTAIDDMEAY
TKLTDNIFLEILYSTDPKLKDAREILKQIEYRNLFKYVGETQPTGQIKIK
REDYESLPKEVASAKPKVLLDVKLKAEDFIVDVINMDYGMQEKNPIDHVS
FYCKTAPNRAIRITKNQVSQLLPEKFAEQLIRVYCKKVDRKSLYAARQYF
VQWCADRNFTKPQDGDVIAPLITPQKKEWN

3D structure

• PDB: 6txc Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis.
• Chain: C
• Resolution: 2.84 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	V43 F44 R253 H257 K258
BS02	DTP	C	R333 R352 K354 N358 K523	R214 R233 K235 N239 K404
BS03	FE	C	H167 H206 D207 D311	H54 H93 D94 D192
BS04	0KX	C	Q149 L150 R164 D207 H215 H233 D311 K312 Y315 D319 R366 Y374	Q36 L37 R51 D94 H102 H120 D192 K193 Y196 D200 R247 Y255
BS05	GTP	C	K116 V117 I118 D137 R145	K3 V4 I5 D24 R32
BS06	GTP	C	Y155 V156 V378 R451	Y42 V43 V259 R332

External links

• PDB: RCSB:6txc, PDBe:6txc, PDBj:6txc
• PDBsum: 6txc
• PubMed: 32576829
• UniProt: Q9Y3Z3|SAMH1_HUMAN Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 (Gene Name=SAMHD1)