MolNFT v1 · #185600 · protein
Mycolic acid methyltransferase hma (MMAA4) from mycobac-terium tuberculosis in complex with ZT275
7Q2H · Hydroxymycolate synthase MMAA4: “Mycolic acid methyltransferase hma (MMAA4) from mycobac-terium tuberculosis in complex with ZT275”. X-ray diffraction, 1 ligand (IEJ), 3 pockets (best druggability 0.80). MolNFT v1 #185600 on…
- PDB
- 7Q2H
- Type
- protein
- Length
- 283 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hydroxymycolate synthase MMAA4
- EC
- 2.1.1.-
- UniProt
- Q79FX8
- Ligands
- IEJ
- Pockets
- 3 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hydroxymycolate synthase MMAA4 (EC 2.1.1.-) | protein | 283 | 49% helix, 14% strand | Q79FX8 |
Ligands and binding sites
- IEJ · O-toluenesulfonamide · ligand · chains A
- DMS · Dimethyl sulfoxide · additive · 3 copies · 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
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 540 | 0.80 | 0.86 | 60 | IEJ, DMS, EDO |
| 2 | 51 | 0.30 | 0.76 | 12 | empty |
| 3 | 57 | 0.26 | 0.73 | 15 | empty |
Compared structures
- 7Q2H · mycolic acid methyltransferase Hma (MmaA4) from Mycobac-terium tuberculosis in complex… · the same entry in another collection · chain A against A, TM-score 1.00
- Q79FX8 · AlphaFold monomer V2.0 prediction for hydroxymycolate synthase MMAA4 (Q79FX8) · a predicted model of the same protein · chain A against A, TM-score 0.94
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 Q79FX8
- Elsewhere: RCSB PDB 7Q2H · PDBe 7Q2H · UniProt Q79FX8
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