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Crystal structure of MutM from Neisseria meningitidis

Analyse Crystal structure of MutM from Neisseria meningitidis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6TC9
Type
protein + DNA
Length
570 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.175
Source
Neisseria meningitidis alpha522; SYNTHETIC CONSTRUCT
Molecule
DNA containing abasic site analogue; Formamidopyrimidine-DNA glycosylase; DNA
EC
3.2.2.23, 4.2.99.18
UniProt
I4E596
Ligands
ZN, MG
Pockets
5 · best druggability 0.71

Structure

x-ray diffraction · resolution 2.175 · 4 distinct chains · 28% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
D, GDNA containing abasic site analoguedna12——
AFormamidopyrimidine-DNA glycosylase (EC 3.2.2.23, 4.2.99.18)protein25928% helix, 23% strandI4E596
B, FDNAdna14——
CFormamidopyrimidine-DNA glycosylase (EC 3.2.2.23, 4.2.99.18)protein25927% helix, 24% strandI4E596

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains A, C
  • MG · Magnesium ion · metal · chains A, C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16830.710.7845empty
26660.710.7846empty
34390.690.8044MG
42660.460.7230empty
51750.410.7320empty

Interfaces

7 interfaces between chains.

  • G–C · 744 Ų buried · 22 hydrogen bonds · protein-nucleic
  • D–A · 741 Ų buried · 21 hydrogen bonds · protein-nucleic
  • A–C · 733 Ų buried · 4 hydrogen bonds · protein-protein
  • D–B · 529 Ų buried · 50 hydrogen bonds · nucleic-nucleic
  • G–F · 528 Ų buried · 46 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 2 modified (nucleotide modification).

Compared structures

  • 6TC9 · Crystal structure of mutm from neisseria meningitidis · the same entry in another collection · chain A against A, TM-score 1.00

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