Structure of PDB 4bzc Chain A Binding Site BS02

Receptor Information

>4bzc Chain A (length=476) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TMKVINDPIHGHIELHPLLVRIIDTPQFQRLRYIKQLGGGYYVFPGASHN
RFEHSLGVGYLAGCLVHALGEKQPELQISERDVLCVQIAGLCHDLGHGPF
SHMFDGRFIPLARPEVKWTHEQGSVMMFEHLINSNGIKPVMEQYGLIPEE
DICFIKEQIVGPLEDSLWPYKGRPENKSFLYEIVSNKRNGIDVDKWDYFA
RDCHHLGIQNNFDYKRFIKFARVCEVDNELRICARDKEVGNLYDMFHTRN
SLHRRAYQHKVGNIIDTMITDAFLKADDYIEITGAGGKKYRISTAIDDME
AYTKLTDNIFLEILYSTDPKLKDAREILKQIEYRNLFKYVGETQPTGQDY
ESLPKEVASAKPKVLLDVKLKAEDFIVDVINMDYGMQEKNPIDHVSFYCK
TAPNRAIRITKNQVSQLLPEKFAEQLIRVYCKKVDRKSLYAARQYFVQWC
ADRNFTKPQDGDVIAPLITPQKKEWN

Ligand information

Ligand ID

InChI

InChI=1S/Mn/q+2

InChIKey

WAEMQWOKJMHJLA-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Mn+2]
CACTVS 3.341	[Mn++]

Formula

Name

MANGANESE (II) ION

PDB chain

4bzc Chain A Residue 750 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	4bzc Mechanism of Allosteric Activation of Samhd1 by Dgtp
Resolution	2.88 Å
Binding residue (original residue number in PDB)	H167 H206 D207 D311
Binding residue (residue number reindexed from 1)	H54 H93 D94 D194
Annotation score	1

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.-

External links

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

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