Research workbench
Crystal structure of mycobacterium tuberculosis malate synthase in complex with 2-br-6-me-phenyldiketoacid
Analyse Crystal structure of mycobacterium tuberculosis malate synthase in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6C2X
- Type
- protein
- Length
- 711 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
- A5U3K4
- Ligands
- EHV, MG
- Pockets
- 7 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Malate synthase G (EC 2.3.3.9) | protein | 711 | 47% helix, 17% strand | A5U3K4 |
Ligands and binding sites
- EHV · (2S)-4-(2-bromo-6-methylphenyl)-2-hydroxy-4-oxobutanoic acid · ligand · chains A
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 272 | 0.71 | 0.85 | 50 | MG, EHV |
| 2 | 379 | 0.62 | 0.77 | 36 | empty |
| 3 | 67 | 0.59 | 0.90 | 25 | empty |
| 4 | 119 | 0.50 | 0.81 | 28 | empty |
| 5 | 62 | 0.40 | 0.80 | 20 | empty |
Compared structures
- 6C2X · Crystal structure of Mycobacterium tuberculosis malate synthase in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- A5U3K4 · AlphaFold monomer V2.0 prediction for malate synthase G (A5U3K4) · 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 A5U3K4
- Elsewhere: RCSB PDB 6C2X · PDBe 6C2X · UniProt A5U3K4
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