Research workbench
Crystal structure of mycobacterium tuberculosis malate synthase C619A, G459A mutant in complex with product malate
Analyse Crystal structure of mycobacterium tuberculosis malate synthase C619A, G459A… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5H8M
- Type
- protein
- Length
- 706 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Malate synthase G
- EC
- 2.3.3.9
- UniProt
- P9WK17
- Ligands
- LMR, MG
- Pockets
- 5 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Malate synthase G (EC 2.3.3.9) | protein | 706 | 43% helix, 18% strand | P9WK17 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 192 | 0.72 | 0.88 | 41 | MG, LMR |
| 2 | 428 | 0.66 | 0.79 | 39 | empty |
| 3 | 136 | 0.54 | 0.81 | 29 | empty |
| 4 | 50 | 0.41 | 0.83 | 17 | empty |
| 5 | 53 | 0.36 | 0.79 | 13 | empty |
Compared structures
- 5H8M · Crystal structure of Mycobacterium tuberculosis malate synthase C619A, G459A mutant in… · the same entry in another collection · chain A against A, TM-score 1.00
- P9WK17 · AlphaFold monomer V2.0 prediction for malate synthase G (P9WK17) · a predicted model of the same protein · 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 P9WK17
- Elsewhere: RCSB PDB 5H8M · PDBe 5H8M · UniProt P9WK17
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