Structure of PDB 7a5y Chain A

Receptor sequence

>7a5yA (length=458) Species: 9606 (Homo sapiens) [Search protein sequence]

DTMKVINDPIHGHIELHPLLVRIIDTPQFQRLRYIKQLGGGYYVFPGASH
NRFEHSLGVGYLAGCLVHALGEKQPELQISERDVLCVQIAGLCHDLGHGP
FSAMFDGRFIPLARPEVKWTHEQGSVMMFEHLINSNGIKPVMEQYGLIPE
EDICFIKEQIVGPLLWPYKGRPENKSFLYEIVSNKRNGIDVDKWDYFARD
CHHLGIQNNFDYKRFIKFARVCEVDNELRICARDKEVGNLYDMFHTRNSL
HRRAYQHKVGNIIDTMITDAFLKADDYIEITGAGGKKYRISTAIDDMEAY
TKLTDNIFLEILYSTDPKLKDAREILKQIEYRNLFKYVGETQPKIKREDY
ESLPKEVASAKPKVLLDVKLKAEDFIVDVINMDYGMQEKNPIDHVSFYCK
TAPNRAIRITKNQVSQLLPEKFAEQLIRVYCKKVDRKSLYAARQYFVQWC
ADRNFTKP

3D structure

PDB

7a5y Probing the Catalytic Mechanism and Inhibition of SAMHD1 Using the Differential Properties of R p - and S p -dNTP alpha S Diastereomers.

Chain

Resolution

2.29 Å

3D
structure

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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)
BS01	FE	A	H167 H206 D207 D311	H55 H94 D95 D192
BS02	MG	A	D207 H233	D95 H121
BS03	T8T	A	Q149 L150 R164 H167 D207 A215 H233 D311 K312 Y315 D319 R366 Y374 Q375	Q37 L38 R52 H55 D95 A103 H121 D192 K193 Y196 D200 R247 Y255 Q256
BS04	T8T	A	Y155 V156 K377 V378 R451	Y43 V44 K258 V259 R332
BS05	T8T	A	R333 F337 R352 K354 K523	R214 F218 R233 K235 K400
BS06	T8T	A	K116 I118 D137 R145	K4 I6 D25 R33
BS07	T8T	A	V117 I118 N119	V5 I6 N7
BS08	T8T	A	V156 F157 R372 H376	V44 F45 R253 H257

External links

PDB	RCSB:7a5y, PDBe:7a5y, PDBj:7a5y
PDBsum	7a5y
PubMed	33988981
UniProt	Q9Y3Z3\|SAMH1_HUMAN Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 (Gene Name=SAMHD1)

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