Research workbench
Crystal structure of hma (MMAA4) from mycobacterium tuberculosis complexed with S-adenosyl-N-decyl-aminoethyl (sadae)
Analyse Crystal structure of hma (MMAA4) from mycobacterium tuberculosis complexed with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3HA7
- Type
- protein
- Length
- 270 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Methoxy mycolic acid synthase 4
- EC
- 2.1.1.-
- UniProt
- Q79FX8
- Ligands
- B32
- Pockets
- 2 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Methoxy mycolic acid synthase 4 (EC 2.1.1.-) | protein | 270 | 48% helix, 16% strand | Q79FX8 |
Ligands and binding sites
- B32 · 5'-S-[2-(decylamino)ethyl]-5'-thioadenosine · ligand · 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 | 506 | 0.76 | 0.83 | 58 | B32 |
| 2 | 133 | 0.43 | 0.76 | 22 | empty |
Compared structures
- 3HA7 · Crystal structure of HMA (MMAA4) from mycobacterium tuberculosis complexed with… · 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 0.97
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 3HA7 · PDBe 3HA7 · UniProt Q79FX8
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