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The structure of mbti from mycobacterium tuberculosis, the first enzyme in the synthesis of mycobactin, reveals it to be a salicylate synthase
Analyse The structure of mbti from mycobacterium tuberculosis, the first enzyme in the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2G5F
- Type
- protein
- Length
- 1,735 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- COG0147: ANTHRANILATE/PARA-aminobenzoate synthases component I
- UniProt
- Q7D785
- Ligands
- PYR
- Pockets
- 18 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D | COG0147: ANTHRANILATE/PARA-aminobenzoate synthases component I | protein | 435 | 32% helix, 35% strand | Q7D785 |
| B | COG0147: ANTHRANILATE/PARA-aminobenzoate synthases component I | protein | 430 | 32% helix, 35% strand | Q7D785 |
Ligands and binding sites
- PYR · Pyruvic acid · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · 6 copies · chains A, B, C, D
- IMD · Imidazole · additive · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 829 | 0.84 | 0.87 | 117 | empty |
| 2 | 1078 | 0.80 | 0.82 | 99 | IMD |
| 3 | 483 | 0.79 | 0.87 | 54 | GOL |
| 4 | 527 | 0.79 | 0.86 | 49 | PYR |
| 5 | 512 | 0.78 | 0.85 | 48 | PYR |
Interfaces
4 interfaces between chains.
- A–B · 633 Ų buried · 8 hydrogen bonds · protein-protein
- A–D · 578 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 537 Ų buried · 8 hydrogen bonds · protein-protein
- B–D · 104 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2G5F · The structure of MbtI from Mycobacterium Tuberculosis, the first enzyme in the synthesis… · the same entry in another collection · chain A against A, TM-score 1.00
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 Q7D785
- Elsewhere: RCSB PDB 2G5F · PDBe 2G5F · UniProt Q7D785
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