MolNFT v1 · #106051 · protein
The crystal structure of a possible galactose mutarotase from streptomyces platensis subsp. rosaceus
4RNL: “The crystal structure of a possible galactose mutarotase from streptomyces platensis subsp. rosaceus”. X-ray diffraction, 1 ligand (PO4), 9 pockets (best druggability 0.75). MolNFT v1 #106051 on GenesisL1: 3D structure, binding…
- PDB
- 4RNL
- Type
- protein
- Length
- 1,363 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Possible galactose mutarotase
- Ligands
- PO4
- Pockets
- 9 · best druggability 0.75
Structure
x-ray diffraction · 3 distinct chains · 6% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Possible galactose mutarotase | protein | 341 | 6% helix, 44% strand | — |
| B | Possible galactose mutarotase | protein | 342 | 6% helix, 45% strand | — |
| D | Possible galactose mutarotase | protein | 339 | 6% helix, 45% strand | — |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 11 copies · chains A, B, C, D
- GOL · Glycerol · additive · 6 copies · chains A, C, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 832 | 0.75 | 0.80 | 70 | GOL |
| 2 | 923 | 0.74 | 0.78 | 76 | GOL |
| 3 | 123 | 0.47 | 0.78 | 19 | empty |
| 4 | 130 | 0.43 | 0.76 | 18 | empty |
| 5 | 56 | 0.39 | 0.81 | 14 | GOL |
Interfaces
3 interfaces between chains.
- A–C · 591 Ų buried · 15 hydrogen bonds · protein-protein
- B–C · 558 Ų buried · 4 hydrogen bonds · protein-protein
- C–D · 395 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 7 modified (engineered).
Compared structures
- 4RNL · The crystal structure of a possible galactose mutarotase from Streptomyces platensis… · the same entry in another collection · chain C against C, 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
- Elsewhere: RCSB PDB 4RNL · PDBe 4RNL
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