MolNFT v1 · #152539 · protein
Native crystal structure of fructuronate-tagaturonate epimerase uxae from cohnella laeviribosi
6ILB: “Native crystal structure of fructuronate-tagaturonate epimerase uxae from cohnella laeviribosi”. X-ray diffraction, 1 ligand (MN), 9 pockets (best druggability 0.72). MolNFT v1 #152539 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6ILB
- Type
- protein
- Length
- 978 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fructuronate-tagaturonate epimerase uxae
- EC
- 5.1.2.7
- Ligands
- MN
- Pockets
- 9 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Fructuronate-tagaturonate epimerase uxae (EC 5.1.2.7) | protein | 489 | 51% helix, 16% strand | — |
Ligands and binding sites
- MN · Manganese (II) ion · metal · 2 copies · chains A, D
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, 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, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 399 | 0.72 | 0.83 | 39 | EDO |
| 2 | 367 | 0.71 | 0.83 | 39 | EDO |
| 3 | 639 | 0.67 | 0.77 | 71 | empty |
| 4 | 385 | 0.66 | 0.79 | 32 | empty |
| 5 | 355 | 0.65 | 0.80 | 32 | empty |
Interfaces
1 interface between chains.
- A–D · 478 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 6ILB · Native crystal structure of fructuronate-tagaturonate epimerase UxaE from Cohnella… · the same entry in another collection · chain D against D, 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 6ILB · PDBe 6ILB
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