MolNFT v1 · #180744 · protein
Crystal structure of S-adenosylmethionine-dependent methyltransferase umaa from mycobacterium tuberculosis in complex with a 12-mer peg
7L9U: “Crystal structure of S-adenosylmethionine-dependent methyltransferase umaa from mycobacterium tuberculosis in…”. X-ray diffraction, 2 ligands (NO3, CL), 1 pocket (best druggability 0.76). MolNFT v1 #180744 on GenesisL1: 3D…
- PDB
- 7L9U
- Type
- protein
- Length
- 282 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- S-adenosylmethionine-dependent methyltransferase umaa
- EC
- 2.1.1.-
- UniProt
- Q6MX39
- Ligands
- NO3, CL
- Pockets
- 1 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | S-adenosylmethionine-dependent methyltransferase umaa (EC 2.1.1.-) | protein | 282 | 48% helix, 17% strand | Q6MX39 |
Ligands and binding sites
- NO3 · Nitrate ion · ion · 2 copies · chains A
- CL · Chloride ion · ion · chains A
- 12P · Dodecaethylene glycol · additive · chains A
- EDO · 1,2-ethanediol · additive · 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 720 | 0.76 | 0.81 | 70 | 12P |
Compared structures
- 7L9U · Crystal Structure of S-adenosylmethionine-dependent methyltransferase UmaA from… · the same entry in another collection · chain A against A, TM-score 1.00
- Q6MX39 · AlphaFold monomer V2.0 prediction for S-adenosylmethionine-dependent methyltransferase… · a predicted model of the same protein · chain A against A, TM-score 0.95
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q6MX39
- Elsewhere: RCSB PDB 7L9U · PDBe 7L9U · UniProt Q6MX39
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