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MolNFT v1 · #70861 · protein

Crystal structure of putative DNA cytosine methylase from shigella flexneri 2A str. 2457T

3LX6 · Cytosine-specific methyltransferase: “Crystal structure of putative DNA cytosine methylase from shigella flexneri 2A str. 2457T”. X-ray diffraction, 10 pockets (best druggability 0.72). MolNFT v1 #70861 on GenesisL1: 3D structure…

PDB
3LX6
Type
protein
Length
730 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cytosine-specific methyltransferase
EC
2.1.1.37
UniProt
E3Y0J2
Pockets
10 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACytosine-specific methyltransferase (EC 2.1.1.37)protein36842% helix, 14% strandE3Y0J2
BCytosine-specific methyltransferase (EC 2.1.1.37)protein36239% helix, 13% strandE3Y0J2

Pockets

10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17340.720.7880empty
21660.640.8529empty
33400.640.7940empty
42550.590.7938empty
53690.550.7451empty

Interfaces

1 interface between chains.

  • A–B · 970 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 modified (engineered).

Compared structures

  • 3LX6 · Crystal structure of putative dna cytosine methylase from shigella flexneri 2a str. 2457T · the same entry in another collection · chain A against A, TM-score 1.00

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