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MolNFT v1 · #94383 · protein

Structure of mntr H77A mutant in apo- and mn-bound forms

4HV6 · Transcriptional regulator mntr: “Structure of mntr H77A mutant in apo- and mn-bound forms”. X-ray diffraction, 2 ligands (MN, MG), 2 pockets (best druggability 0.34). MolNFT v1 #94383 on GenesisL1: 3D structure, binding sites and…

PDB
4HV6
Type
protein
Length
266 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transcriptional regulator mntr
UniProt
P54512
Ligands
MN, MG
Pockets
2 · best druggability 0.34

Structure

x-ray diffraction · 2 distinct chains · 74% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATranscriptional regulator mntrprotein13376% helix, 5% strandP54512
BTranscriptional regulator mntrprotein13373% helix, 3% strandP54512

Ligands and binding sites

  • MN · Manganese (II) ion · metal · 2 copies · chains A
  • MG · Magnesium ion · metal · chains B

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1730.340.7614MN
2790.320.7416MG

Compared structures

  • 4HV6 · Structure of MNTR H77A mutant in apo- and mn-bound forms · the same entry in another collection · chain A against A, TM-score 1.00
  • P54512 · AlphaFold monomer V2.0 prediction for hth-type transcriptional regulator mntr (P54512) · a predicted model of the same protein · chain A against A, TM-score 0.96

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