MolNFT v1 · #23101 · protein
Structure of the cyclopropane synthase MMAA2 from mycobacterium tuberculosis
1TPY · Methoxy mycolic acid synthase 2: “Structure of the cyclopropane synthase MMAA2 from mycobacterium tuberculosis”. X-ray diffraction, 3 ligands (SAH, 16A, CO3), 1 pocket (best druggability 0.81). MolNFT v1 #23101 on GenesisL1: 3D…
- PDB
- 1TPY
- Type
- protein
- Length
- 285 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Methoxy mycolic acid synthase 2
- EC
- 2.1.1.79
- UniProt
- Q79FX6
- Ligands
- SAH, 16A, CO3
- Pockets
- 1 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Methoxy mycolic acid synthase 2 (EC 2.1.1.79) | protein | 285 | 51% helix, 16% strand | Q79FX6 |
Ligands and binding sites
- SAH · S-adenosyl-L-homocysteine · ligand · chains A
- 16A · Cetyl-trimethyl-ammonium · ligand · chains A
- CO3 · Carbonate 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 462 | 0.81 | 0.88 | 63 | SAH, 16A |
Compared structures
- 1TPY · Structure of the cyclopropane synthase MmaA2 from Mycobacterium tuberculosis · the same entry in another collection · chain A against A, TM-score 1.00
- Q79FX6 · AlphaFold monomer V2.0 prediction for cyclopropane mycolic acid synthase MMAA2 (Q79FX6) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q79FX6
- Elsewhere: RCSB PDB 1TPY · PDBe 1TPY · UniProt Q79FX6
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