MolNFT v1 · #105329 · protein
Crystal structure of thermophilic geobacillus kaustophilus L-arabinose isomerase
4R1O: “Crystal structure of thermophilic geobacillus kaustophilus L-arabinose isomerase”. X-ray diffraction, 20 pockets (best druggability 0.82). MolNFT v1 #105329 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4R1O
- Type
- protein
- Length
- 2,970 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- L-arabinose isomerase
- EC
- 5.3.1.4
- UniProt
- Q5KYP7
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 4 distinct chains · 41% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D | L-arabinose isomerase (EC 5.3.1.4) | protein | 496 | 40% helix, 22% strand | Q5KYP7 |
| B | L-arabinose isomerase (EC 5.3.1.4) | protein | 495 | 41% helix, 22% strand | Q5KYP7 |
| E | L-arabinose isomerase (EC 5.3.1.4) | protein | 494 | 41% helix, 23% strand | Q5KYP7 |
| F | L-arabinose isomerase (EC 5.3.1.4) | protein | 493 | 42% helix, 23% strand | Q5KYP7 |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 959 | 0.82 | 0.84 | 106 | empty |
| 2 | 561 | 0.82 | 0.88 | 73 | empty |
| 3 | 590 | 0.78 | 0.84 | 66 | empty |
| 4 | 298 | 0.76 | 0.88 | 40 | empty |
| 5 | 164 | 0.73 | 0.91 | 34 | empty |
Interfaces
12 interfaces between chains.
- D–F · 2403 Ų buried · 29 hydrogen bonds · protein-protein
- A–D · 2391 Ų buried · 32 hydrogen bonds · protein-protein
- C–E · 2378 Ų buried · 28 hydrogen bonds · protein-protein
- B–C · 2362 Ų buried · 31 hydrogen bonds · protein-protein
- A–F · 2350 Ų buried · 23 hydrogen bonds · protein-protein
Compared structures
- 4R1O · Crystal Structure of Thermophilic Geobacillus kaustophilus L-Arabinose isomerase · the same entry in another collection · chain F against F, TM-score 1.00
- Q5KYP7 · AlphaFold monomer V2.0 prediction for L-arabinose isomerase (Q5KYP7) · a predicted model of the same protein · chain C 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 Q5KYP7
- Elsewhere: RCSB PDB 4R1O · PDBe 4R1O · UniProt Q5KYP7
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