MolNFT v1 · #46662 · protein
Pseudomonas aeruginosa 6-pyruvoyl tetrahydrobiopterin synthase
2OBA · Probable 6-pyruvoyl tetrahydrobiopterin synthase: “Pseudomonas aeruginosa 6-pyruvoyl tetrahydrobiopterin synthase”. X-ray diffraction, 1 ligand (ZN), 4 pockets (best druggability 0.80). MolNFT v1 #46662 on GenesisL1: 3D structure…
- PDB
- 2OBA
- Type
- protein
- Length
- 724 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable 6-pyruvoyl tetrahydrobiopterin synthase
- EC
- 4.2.3.12
- UniProt
- Q9I0H2
- Ligands
- ZN
- Pockets
- 4 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 29% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Probable 6-pyruvoyl tetrahydrobiopterin synthase (EC 4.2.3.12) | protein | 120 | 30% helix, 33% strand | Q9I0H2 |
| B, C, E, F | Probable 6-pyruvoyl tetrahydrobiopterin synthase (EC 4.2.3.12) | protein | 121 | 27% helix, 34% strand | Q9I0H2 |
Ligands and binding sites
- ZN · Zinc ion · metal · 6 copies · chains A, D, B, F, C, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 859 | 0.80 | 0.82 | 136 | ZN |
| 2 | 570 | 0.76 | 0.83 | 66 | empty |
| 3 | 483 | 0.73 | 0.83 | 51 | empty |
| 4 | 442 | 0.71 | 0.82 | 41 | empty |
Interfaces
9 interfaces between chains.
- D–F · 858 Ų buried · 15 hydrogen bonds · protein-protein
- B–C · 856 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 838 Ų buried · 15 hydrogen bonds · protein-protein
- D–E · 814 Ų buried · 12 hydrogen bonds · protein-protein
- A–C · 807 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 2OBA · Pseudomonas aeruginosa 6-pyruvoyl tetrahydrobiopterin synthase · 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 Q9I0H2
- Elsewhere: RCSB PDB 2OBA · PDBe 2OBA · UniProt Q9I0H2
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