MolNFT v1 · #143184 · protein
Crystal structure of mycobacterium tuberculosis malate synthase in complex with 3-prop-6-me-phenyldiketoacid
6AS6 · Malate synthase G: “Crystal structure of mycobacterium tuberculosis malate synthase in complex with 3-prop-6-me-phenyldiketoacid”. X-ray diffraction, 2 ligands (BSV, MG), 6 pockets (best druggability 0.71). MolNFT v1 #143184 on…
- PDB
- 6AS6
- Type
- protein
- Length
- 712 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
- BSV, MG
- Pockets
- 6 · 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 | 712 | 47% helix, 17% strand | A5U3K4 |
Ligands and binding sites
- BSV · (2Z)-4-(5-cyclopropyl-2-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 279 | 0.71 | 0.85 | 53 | MG, BSV |
| 2 | 341 | 0.60 | 0.77 | 37 | empty |
| 3 | 114 | 0.51 | 0.81 | 28 | empty |
| 4 | 64 | 0.40 | 0.81 | 19 | empty |
| 5 | 66 | 0.39 | 0.80 | 16 | empty |
Compared structures
- 6AS6 · 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 0.99
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 6AS6 · PDBe 6AS6 · UniProt A5U3K4
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