MolNFT v1 · #15175 · protein + DNA

Crystal structure of a mug-DNA pseudo substrate complex

1MWJ · 5'-D(*CP*GP*CP*GP*A*GP*(DU)P*TP*CP*GP*CP*G)-3': “Crystal structure of a mug-DNA pseudo substrate complex”. X-ray diffraction, 1 pocket (best druggability 0.67). MolNFT v1 #15175 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 1MWJ
Type: protein + DNA
Length: 177 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 5'-D(*CP*GP*CP*GP*A*GP*(DU)P*TP*CP*GP*CP*G)-3'; G/U mismatch-specific DNA glycosylase
EC: 3.2.2.-
UniProt: P0A9H1
Pockets: 1 · best druggability 0.67

Structure

x-ray diffraction · 2 distinct chains · 41% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
D	5'-D(CPGPCPGPAGP(DU)PTPCPGPCPG)-3'	dna	12	—	—
A	G/U mismatch-specific DNA glycosylase (EC 3.2.2.-)	protein	165	41% helix, 19% strand	P0A9H1

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	399	0.67	0.80	45	empty

Interfaces

1 interface between chains.

D–A · 197 Å² buried · 4 hydrogen bonds · protein-nucleic

Compared structures

1MWJ · Crystal Structure of a MUG-DNA pseudo substrate complex · the same entry in another collection · chain D against D, TM-score 1.00
P0A9H1 · AlphaFold monomer V2.0 prediction for G/U mismatch-specific DNA glycosylase (P0A9H1) · a predicted model of the same protein · chain A against A, TM-score 0.99

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P0A9H1
Elsewhere: RCSB PDB 1MWJ · PDBe 1MWJ · UniProt P0A9H1

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