MolNFT v1 · #60400 · protein
Crystal structure of L-xylulose-5-phosphate 3-epimerase ulae (form B) complex with ZN2+ and sulfate
3CQK · L-ribulose-5-phosphate 3-epimerase ulae: “Crystal structure of L-xylulose-5-phosphate 3-epimerase ulae (form B) complex with ZN2+ and sulfate”. X-ray diffraction, 2 ligands (ZN, SO4), 7 pockets (best druggability 0.70). MolNFT v1…
- PDB
- 3CQK
- Type
- protein
- Length
- 552 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- L-ribulose-5-phosphate 3-epimerase ulae
- EC
- 5.1.3.22
- UniProt
- Q8XDI5
- Ligands
- ZN, SO4
- Pockets
- 7 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | L-ribulose-5-phosphate 3-epimerase ulae (EC 5.1.3.22) | protein | 276 | 51% helix, 14% strand | Q8XDI5 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 483 | 0.70 | 0.80 | 64 | empty |
| 2 | 119 | 0.59 | 0.86 | 24 | empty |
| 3 | 104 | 0.58 | 0.86 | 23 | SO4 |
| 4 | 119 | 0.46 | 0.79 | 18 | ZN |
| 5 | 124 | 0.44 | 0.77 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1712 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 3CQK · Crystal Structure of L-xylulose-5-phosphate 3-epimerase UlaE (form B) complex with Zn2+… · the same entry in another collection · chain A against A, TM-score 1.00
- Q8XDI5 · AlphaFold monomer V2.0 prediction for L-ribulose-5-phosphate 3-epimerase ulae (Q8XDI5) · a predicted model of the same protein · 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 Q8XDI5
- Elsewhere: RCSB PDB 3CQK · PDBe 3CQK · UniProt Q8XDI5
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