MolNFT v1 · #49701 · protein
Crystal structure of a putative sugar phosphate ISOMERASE/EPIMERASE (AVA4194) from anabaena variabilis atcc 29413 at 1.78 a resolution
2QW5 · Xylose isomerase-like tim barrel: “Crystal structure of a putative sugar phosphate ISOMERASE/EPIMERASE (AVA4194) from anabaena variabilis atcc…”. X-ray diffraction, 3 ligands (XLS, ZN, CL), 8 pockets (best druggability 0.59). MolNFT…
- PDB
- 2QW5
- Type
- protein
- Length
- 652 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Xylose isomerase-like tim barrel
- UniProt
- Q3M5E3
- Ligands
- XLS, ZN, CL
- Pockets
- 8 · best druggability 0.59
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Xylose isomerase-like tim barrel | protein | 327 | 46% helix, 13% strand | Q3M5E3 |
| B | Xylose isomerase-like tim barrel | protein | 325 | 47% helix, 13% strand | Q3M5E3 |
Ligands and binding sites
- XLS · D-xylose · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · 5 copies · chains A, B
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 198 | 0.59 | 0.81 | 27 | XLS |
| 2 | 201 | 0.59 | 0.81 | 29 | XLS |
| 3 | 77 | 0.38 | 0.77 | 15 | empty |
| 4 | 64 | 0.33 | 0.76 | 15 | empty |
| 5 | 86 | 0.32 | 0.73 | 21 | empty |
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 2QW5 · Crystal structure of a putative sugar phosphate ISOMERASE/EPIMERASE (AVA4194) from… · 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 Q3M5E3
- Elsewhere: RCSB PDB 2QW5 · PDBe 2QW5 · UniProt Q3M5E3
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