MolNFT v1 · #185594 · protein
Mycolic acid methyltransferase hma (MMAA4) from mycobac-terium tuberculosis in complex with ZT218
7Q2B · Hydroxymycolate synthase MMAA4: “Mycolic acid methyltransferase hma (MMAA4) from mycobac-terium tuberculosis in complex with ZT218”. X-ray diffraction, 2 ligands (M6H, MG), 2 pockets (best druggability 0.76). MolNFT v1 #185594 on…
- PDB
- 7Q2B
- 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
- M6H, MG
- Pockets
- 2 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hydroxymycolate synthase MMAA4 (EC 2.1.1.-) | protein | 283 | 50% helix, 14% strand | Q79FX8 |
Ligands and binding sites
- M6H · 2-(phenylmethyl)imidazolidine · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
- DMS · Dimethyl sulfoxide · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 633 | 0.76 | 0.82 | 58 | M6H, DMS |
| 2 | 79 | 0.32 | 0.73 | 16 | empty |
Compared structures
- 7Q2B · 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 0.96
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 7Q2B · PDBe 7Q2B · UniProt Q79FX8
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