Research workbench
Crystal structure of a malate synthase G from mycobacterium marinum bound to acetyl CoA
Analyse Crystal structure of a malate synthase G from mycobacterium marinum bound to… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6AXE
- Type
- protein
- Length
- 1,453 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Malate synthase G
- EC
- 2.3.3.9
- UniProt
- B2HSY2
- Ligands
- ACO, MG
- Pockets
- 14 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Malate synthase G (EC 2.3.3.9) | protein | 729 | 46% helix, 19% strand | B2HSY2 |
| B | Malate synthase G (EC 2.3.3.9) | protein | 724 | 47% helix, 19% strand | B2HSY2 |
Ligands and binding sites
- ACO · Acetyl coenzyme *A · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- ACT · Acetate ion · additive · chains A
- EDO · 1,2-ethanediol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 581 | 0.71 | 0.79 | 53 | MG |
| 2 | 563 | 0.70 | 0.79 | 37 | empty |
| 3 | 343 | 0.67 | 0.81 | 51 | ACO, MG |
| 4 | 211 | 0.56 | 0.79 | 32 | ACO |
| 5 | 206 | 0.52 | 0.77 | 34 | empty |
Compared structures
- 6AXE · Crystal structure of a malate synthase G from Mycobacterium marinum bound to acetyl CoA · the same entry in another collection · chain A against A, TM-score 1.00
- B2HSY2 · AlphaFold monomer V2.0 prediction for malate synthase G (B2HSY2) · 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 B2HSY2
- Elsewhere: RCSB PDB 6AXE · PDBe 6AXE · UniProt B2HSY2
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