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Crystal structure of cobt complexed with 4-methylcatechol and nicotinate mononucleotide

Analyse Crystal structure of cobt complexed with 4-methylcatechol and nicotinate… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1L4G
Type
protein
Length
346 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase
EC
2.4.2.21
UniProt
Q05603
Ligands
MCT, NCN
Pockets
1 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase (EC 2.4.2.21)protein34651% helix, 11% strandQ05603

Ligands and binding sites

  • MCT · 4-methylcatechol · ligand · chains A
  • NCN · Nicotinate mononucleotide · ligand · 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
11800.660.8632MCT, NCN

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 1L4G · Crystal Structure of CobT complexed with 4-methylcatechol and nicotinate mononucleotide · the same entry in another collection · chain A against A, TM-score 1.00
  • Q05603 · AlphaFold monomer V2.0 prediction for nicotinate-nucleotide-- dimethylbenzimidazole… · a predicted model of the same protein · chain A against A, TM-score 1.00

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