MolNFT v1 · #47169 · protein
Crystal structure of an isomerase from streptomyces coelicolor A3(2)
2OQH · Putative isomerase: “Crystal structure of an isomerase from streptomyces coelicolor A3(2)”. X-ray diffraction, 1 ligand (SO4), 11 pockets (best druggability 0.81). MolNFT v1 #47169 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2OQH
- Type
- protein
- Length
- 1,473 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative isomerase
- UniProt
- Q9F3A5
- Ligands
- SO4
- Pockets
- 11 · best druggability 0.81
Structure
x-ray diffraction · 4 distinct chains · 45% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative isomerase | protein | 360 | 45% helix, 20% strand | Q9F3A5 |
| B | Putative isomerase | protein | 374 | 44% helix, 20% strand | Q9F3A5 |
| C | Putative isomerase | protein | 368 | 44% helix, 20% strand | Q9F3A5 |
| D | Putative isomerase | protein | 371 | 45% helix, 20% strand | Q9F3A5 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 963 | 0.81 | 0.82 | 79 | empty |
| 2 | 877 | 0.80 | 0.82 | 75 | empty |
| 3 | 525 | 0.65 | 0.76 | 51 | empty |
| 4 | 208 | 0.64 | 0.84 | 37 | empty |
| 5 | 458 | 0.64 | 0.77 | 48 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1082 Ų buried · 11 hydrogen bonds · protein-protein
- B–D · 1074 Ų buried · 10 hydrogen bonds · protein-protein
- C–D · 706 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 40 modified (engineered).
Compared structures
- 2OQH · Crystal structure of an isomerase from Streptomyces coelicolor A3(2) · 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 Q9F3A5
- Elsewhere: RCSB PDB 2OQH · PDBe 2OQH · UniProt Q9F3A5
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