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Crystal structure of methylated sulfolobus solfataricus O6- methylguanine methyltransferase

Analyse Crystal structure of methylated sulfolobus solfataricus O6- methylguanine… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4ZYG
Type
protein
Length
300 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Methylated-DNA--protein-cysteine methyltransferase
EC
2.1.1.63
UniProt
Q97VW7
Pockets
2 · best druggability 0.65

Structure

x-ray diffraction · 2 distinct chains · 35% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMethylated-DNA--protein-cysteine methyltransferase (EC 2.1.1.63)protein15136% helix, 17% strandQ97VW7
BMethylated-DNA--protein-cysteine methyltransferase (EC 2.1.1.63)protein14934% helix, 19% strandQ97VW7

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13560.650.7933empty
2710.320.7519empty

Interfaces

1 interface between chains.

  • A–B · 469 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide, 2 modified (disulfide, methylation).

Compared structures

  • 4ZYG · Crystal structure of methylated Sulfolobus solfataricus O6-methylguanine methyltransferase · the same entry in another collection · chain A against A, TM-score 1.00
  • Q97VW7 · AlphaFold monomer V2.0 prediction for methylated-DNA--protein- cysteine methyltransferase… · a predicted model of the same protein · chain B against A, TM-score 0.98

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