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MolNFT v1 · #9493 · protein

Crystal structure of an active site mutant of methanobacterium thermoautotrophicum nicotinamide mononucleotide adenylyltransferase

1HYB: “Crystal structure of an active site mutant of methanobacterium thermoautotrophicum nicotinamide…”. X-ray diffraction, 2 ligands (NMN, SO4), 1 pocket (best druggability 0.57). MolNFT v1 #9493 on GenesisL1: 3D structure, binding sites…

PDB
1HYB
Type
protein
Length
161 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nicotinamide mononucleotide adenylyltransferase
EC
2.7.7.1
UniProt
O26253
Ligands
NMN, SO4
Pockets
1 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANicotinamide mononucleotide adenylyltransferase (EC 2.7.7.1)protein16150% helix, 14% strandO26253

Ligands and binding sites

  • NMN · Beta-nicotinamide ribose monophosphate · ligand · chains A
  • SO4 · Sulfate ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12770.570.7732SO4, NMN

Compared structures

  • 1HYB · Crystal structure of an active site mutant of methanobacterium thermoautotrophicum… · the same entry in another collection · chain A against A, TM-score 1.00
  • O26253 · AlphaFold monomer V2.0 prediction for nicotinamide-nucleotide adenylyltransferase (O26253) · a predicted model of the same protein · chain A against A, TM-score 0.98

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