Structure of PDB 4bzc Chain A

Receptor sequence

>4bzcA (length=476) Species: 9606 (Homo sapiens)

TMKVINDPIHGHIELHPLLVRIIDTPQFQRLRYIKQLGGGYYVFPGASHN
RFEHSLGVGYLAGCLVHALGEKQPELQISERDVLCVQIAGLCHDLGHGPF
SHMFDGRFIPLARPEVKWTHEQGSVMMFEHLINSNGIKPVMEQYGLIPEE
DICFIKEQIVGPLEDSLWPYKGRPENKSFLYEIVSNKRNGIDVDKWDYFA
RDCHHLGIQNNFDYKRFIKFARVCEVDNELRICARDKEVGNLYDMFHTRN
SLHRRAYQHKVGNIIDTMITDAFLKADDYIEITGAGGKKYRISTAIDDME
AYTKLTDNIFLEILYSTDPKLKDAREILKQIEYRNLFKYVGETQPTGQDY
ESLPKEVASAKPKVLLDVKLKAEDFIVDVINMDYGMQEKNPIDHVSFYCK
TAPNRAIRITKNQVSQLLPEKFAEQLIRVYCKKVDRKSLYAARQYFVQWC
ADRNFTKPQDGDVIAPLITPQKKEWN

3D structure

• PDB: 4bzc Mechanism of Allosteric Activation of Samhd1 by Dgtp
• Chain: A
• Resolution: 2.88 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): Q149 H167 H206 D207 H210 H215 D218 H233 D311 K312 D319 R366
• Catalytic site (residue number reindexed from 1): Q36 H54 H93 D94 H97 H102 D105 H120 D194 K195 D202 R249
• 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	T8T	A	Q149 L150 R164 D207 H233 K312 Y315 D319 Y374 Q375	Q36 L37 R51 D94 H120 K195 Y198 D202 Y257 Q258
BS02	MN	A	H167 H206 D207 D311	H54 H93 D94 D194
BS03	T8T	A	V156 F157 R372 H376 K377	V43 F44 R255 H259 K260
BS04	T8T	A	Y155 V156 K377 V378 R451	Y42 V43 K260 V261 R334
BS05	T8T	A	R333 R352 K354 K523	R216 R235 K237 K400
BS06	T8T	A	V117 N119	V4 N6
BS07	T8T	A	K116 V117 I118 D137 Q142 R145	K3 V4 I5 D24 Q29 R32

External links

• PDB: RCSB:4bzc, PDBe:4bzc, PDBj:4bzc
• PDBsum: 4bzc
• PubMed: 24141705
• UniProt: Q9Y3Z3|SAMH1_HUMAN Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 (Gene Name=SAMHD1)