Structure of PDB 6txe Chain B

Receptor sequence

>6txeB (length=479) Species: 9606 (Homo sapiens)

TMKVINDPIHGHIELHPLLVRIIDTPQFQRLRYIKQLGGGYYVFPGASHN
RFEHSLGVGYLAGCLVHALGEKQPELQISERDVLCVQIAGLCHDLGHGPF
SHMFDGRFIPLARPEVKWTHEQGSVMMFEHLINSNGIKPVMEQYGLIPEE
DICFIKEQIVGPLLWPYKGRPENKSFLYEIVSNKRNGIDVDKWDYFARDC
HHLGIQNNFDYKRFIKFARVCEVDNELRICARDKEVGNLYDMFHTRNSLH
RRAYQHKVGNIIDTMITDAFLKADDYIEITGAGGKKYRISTAIDDMEAYT
KLTDNIFLEILYSTDPKLKDAREILKQIEYRNLFKYVGETQPTGQIKIKR
EDYESLPKEVASAKPKVLLDVKLKAEDFIVDVINMDYGMQEKNPIDHVSF
YCKTAPNRAIRITKNQVSQLLPEKFAEQLIRVYCKKVDRKSLYAARQYFV
QWCADRNFTKPQDGDVIAPLITPQKKEWN

3D structure

• PDB: 6txe Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis.
• Chain: B
• Resolution: 3.19 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	B	Y155 V156 R451	Y42 V43 R331
BS02	FE	B	H167 H206 D207 D311	H54 H93 D94 D191
BS03	1FZ	B	L150 R164 D207 H215 H233 D311 K312 Y315 D319 R366 Y374	L37 R51 D94 H102 H120 D191 K192 Y195 D199 R246 Y254
BS04	GTP	B	K116 V117 I118 D137 R145	K3 V4 I5 D24 R32
BS05	DTP	B	R333 R352 K354 N358 K523	R213 R232 K234 N238 K403
BS06	DTP	B	V156 F157 R372 H376 K377	V43 F44 R252 H256 K257

External links

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