Research workbench
mycolic acid methyltransferase Hma (MmaA4) from Mycobac-terium tuberculosis in complex with ZT320
Analyse mycolic acid methyltransferase Hma (MmaA4) from Mycobac-terium tuberculosis in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7Q2D
- Type
- protein
- Length
- 286 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.89
- Source
- Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
- Molecule
- Hydroxymycolate synthase MmaA4
- EC
- 2.1.1.-
- UniProt
- Q79FX8
- Ligands
- ZZT
- Pockets
- 3 · best druggability 0.79
Structure
x-ray diffraction · resolution 1.89 · 1 distinct chain · 50% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hydroxymycolate synthase MmaA4 (EC 2.1.1.-) | protein | 286 | 50% helix, 15% strand | Q79FX8 |
Ligands and binding sites
- ZZT · 2-methoxy-5-methylaniline · ligand · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · chains A
- DMS · Dimethyl sulfoxide · 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 | 618 | 0.79 | 0.84 | 61 | ZZT, EDO, DMS |
| 2 | 56 | 0.30 | 0.75 | 12 | ZZT |
| 3 | 58 | 0.27 | 0.73 | 15 | empty |
Compared structures
- 7Q2D · 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 7Q2D · PDBe 7Q2D · UniProt Q79FX8
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