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MolNFT v1 · #152294 · protein

Crystal structure of RV0731C from mycobacterium tuberculosis at 1.63 ångströms.

6ID6 · Putative S-adenosyl-L-methionine-dependent…: “Crystal structure of RV0731C from mycobacterium tuberculosis at 1.63 ångströms.”. X-ray diffraction, 1 ligand (MG), 3 pockets (best druggability 0.83). MolNFT v1 #152294 on GenesisL1: 3D…

PDB
6ID6
Type
protein
Length
302 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative S-adenosyl-L-methionine-dependent methyltransferase RV0731C
EC
2.1.1.-
UniProt
P9WFI5
Ligands
MG
Pockets
3 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative S-adenosyl-L-methionine-dependent methyltransferase RV0731C (EC 2.1.1.-)protein30248% helix, 14% strandP9WFI5

Ligands and binding sites

  • MG · Magnesium ion · metal · 2 copies · chains A
  • PGE · Triethylene glycol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16320.830.8777PGE
2650.480.8417empty
3540.290.7514empty

Compared structures

  • 6ID6 · Crystal structure of Rv0731c from Mycobacterium tuberculosis at 1.63 Angstroms. · the same entry in another collection · chain A against A, TM-score 1.00
  • P9WFI5 · AlphaFold monomer V2.0 prediction for putative S-adenosyl-L- methionine-dependent… · a predicted model of the same protein · chain A against A, TM-score 0.98

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