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Biochemical and structural studies of malate synthase from mycobacterium tuberculosis
Analyse Biochemical and structural studies of malate synthase from mycobacterium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1N8W
- Type
- protein
- Length
- 1,433 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable malate synthase G
- EC
- 4.1.3.2
- UniProt
- P0A5J4
- Ligands
- MLT, COA, GLV, MG, SO4
- Pockets
- 15 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable malate synthase G (EC 4.1.3.2) | protein | 718 | 47% helix, 17% strand | P0A5J4 |
| B | Probable malate synthase G (EC 4.1.3.2) | protein | 715 | 46% helix, 18% strand | P0A5J4 |
Ligands and binding sites
- MLT · D-malate · ligand · 3 copies · chains A, B
- COA · Coenzyme A · ligand · chains A
- GLV · Glyoxylic acid · ligand · chains B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 65 | 0.73 | 0.98 | 20 | MG, GLV |
| 2 | 537 | 0.69 | 0.78 | 72 | MG, MLT, COA |
| 3 | 506 | 0.68 | 0.79 | 38 | empty |
| 4 | 496 | 0.67 | 0.78 | 36 | empty |
| 5 | 242 | 0.54 | 0.77 | 32 | MLT |
Interfaces
1 interface between chains.
- A–B · 508 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 1N8W · Biochemical and Structural Studies of Malate Synthase from Mycobacterium tuberculosis · 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 P0A5J4
- Elsewhere: RCSB PDB 1N8W · PDBe 1N8W · UniProt P0A5J4
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