MolNFT v1 · #106991 · protein
The structure of the molybdopterin biosynthesis mog protein from mycobacterium ulcerans
4TWG: “The structure of the molybdopterin biosynthesis mog protein from mycobacterium ulcerans”. X-ray diffraction, 12 pockets (best druggability 0.76). MolNFT v1 #106991 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4TWG
- Type
- protein
- Length
- 921 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Molybdopterin biosynthesis mog protein
- UniProt
- A0PL01
- Pockets
- 12 · best druggability 0.76
Structure
x-ray diffraction · 6 distinct chains · 43% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Molybdopterin biosynthesis mog protein | protein | 152 | 45% helix, 19% strand | A0PL01 |
| B | Molybdopterin biosynthesis mog protein | protein | 153 | 46% helix, 19% strand | A0PL01 |
| C | Molybdopterin biosynthesis mog protein | protein | 157 | 42% helix, 18% strand | A0PL01 |
| D | Molybdopterin biosynthesis mog protein | protein | 155 | 41% helix, 20% strand | A0PL01 |
| E | Molybdopterin biosynthesis mog protein | protein | 151 | 44% helix, 19% strand | A0PL01 |
| F | Molybdopterin biosynthesis mog protein | protein | 153 | 41% helix, 19% strand | A0PL01 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 3 copies · chains B, F, E
- CIT · Citric acid · additive · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1108 | 0.76 | 0.79 | 93 | empty |
| 2 | 358 | 0.66 | 0.80 | 49 | CIT |
| 3 | 494 | 0.65 | 0.77 | 45 | empty |
| 4 | 211 | 0.50 | 0.76 | 41 | empty |
| 5 | 183 | 0.49 | 0.77 | 40 | empty |
Interfaces
9 interfaces between chains.
- A–C · 862 Ų buried · 15 hydrogen bonds · protein-protein
- A–D · 649 Ų buried · 2 hydrogen bonds · protein-protein
- B–F · 646 Ų buried · 3 hydrogen bonds · protein-protein
- C–D · 639 Ų buried · 3 hydrogen bonds · protein-protein
- E–F · 629 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 4TWG · The structure of the Molybdopterin biosynthesis Mog protein from Mycobacterium ulcerans · the same entry in another collection · 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 A0PL01
- Elsewhere: RCSB PDB 4TWG · PDBe 4TWG · UniProt A0PL01
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