MolNFT v1 · #67758 · protein
Metal-free form of pseudomonas stutzeri L-rhamnose isomerase
3ITY: “Metal-free form of pseudomonas stutzeri L-rhamnose isomerase”. X-ray diffraction, 20 pockets (best druggability 0.83). MolNFT v1 #67758 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3ITY
- Type
- protein
- Length
- 1,689 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- L-rhamnose isomerase
- EC
- 5.3.1.14
- UniProt
- Q75WH8
- Pockets
- 20 · best druggability 0.83
Structure
x-ray diffraction · 3 distinct chains · 50% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | L-rhamnose isomerase (EC 5.3.1.14) | protein | 421 | 50% helix, 10% strand | Q75WH8 |
| C | L-rhamnose isomerase (EC 5.3.1.14) | protein | 428 | 49% helix, 10% strand | Q75WH8 |
| D | L-rhamnose isomerase (EC 5.3.1.14) | protein | 419 | 50% helix, 10% strand | Q75WH8 |
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 | 1001 | 0.83 | 0.84 | 98 | empty |
| 2 | 1055 | 0.82 | 0.83 | 108 | empty |
| 3 | 141 | 0.81 | 0.98 | 34 | empty |
| 4 | 175 | 0.80 | 0.96 | 44 | empty |
| 5 | 137 | 0.80 | 0.98 | 32 | empty |
Interfaces
6 interfaces between chains.
- B–D · 2456 Ų buried · 23 hydrogen bonds · protein-protein
- A–C · 2439 Ų buried · 24 hydrogen bonds · protein-protein
- C–D · 2216 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 1971 Ų buried · 16 hydrogen bonds · protein-protein
- A–D · 1725 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 3ITY · Metal-free form of Pseudomonas stutzeri L-rhamnose isomerase · 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 Q75WH8
- Elsewhere: RCSB PDB 3ITY · PDBe 3ITY · UniProt Q75WH8
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