MolNFT v1 · #129114 · protein
Crystal structure of malate synthase G from pseudomonas aeruginosa in apo form.
5OAS: “Crystal structure of malate synthase G from pseudomonas aeruginosa in apo form.”. X-ray diffraction, 1 ligand (MG), 9 pockets (best druggability 0.66). MolNFT v1 #129114 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5OAS
- Type
- protein
- Length
- 728 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
- Q9I636
- Ligands
- MG
- Pockets
- 9 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Malate synthase G (EC 2.3.3.9) | protein | 728 | 45% helix, 19% strand | Q9I636 |
Ligands and binding sites
- MG · Magnesium ion · metal · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · 15 copies · chains A
- GOL · Glycerol · additive · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 317 | 0.66 | 0.81 | 54 | EDO |
| 2 | 487 | 0.65 | 0.77 | 43 | EDO |
| 3 | 139 | 0.46 | 0.77 | 30 | EDO |
| 4 | 71 | 0.39 | 0.79 | 17 | EDO |
| 5 | 52 | 0.36 | 0.79 | 14 | empty |
Compared structures
- 5OAS · Crystal structure of malate synthase G from Pseudomonas aeruginosa in apo form. · the same entry in another collection · chain A against A, TM-score 1.00
- Q9I636 · AlphaFold monomer V2.0 prediction for malate synthase G (Q9I636) · 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 Q9I636
- Elsewhere: RCSB PDB 5OAS · PDBe 5OAS · UniProt Q9I636
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