MolNFT v1 · #113148 · protein
Determining the specificities of the catalytic site from the very high resolution structure of the thermostable glucuronoxylan endo-beta-1, 4-xylanase, CTXYN30A, from clostridium thermocellum with a xylotetraose bound
5A6M · Carbohydrate binding family 6: “Determining the specificities of the catalytic site from the very high resolution structure of the…”. X-ray diffraction, 3 ligands (XYP, XYS, PO4), 2 pockets (best druggability 0.35). MolNFT v1…
- PDB
- 5A6M
- Type
- protein
- Length
- 389 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbohydrate binding family 6
- EC
- 3.2.1.8
- UniProt
- A3DJS9
- Ligands
- XYP, XYS, PO4
- Pockets
- 2 · best druggability 0.35
Structure
x-ray diffraction · 1 distinct chain · 27% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carbohydrate binding family 6 (EC 3.2.1.8) | protein | 389 | 27% helix, 33% strand | A3DJS9 |
Ligands and binding sites
- XYP · beta-D-xylopyranose · sugar · 4 copies · chains A
- XYS · alpha-D-xylopyranose · sugar · chains A
- PO4 · Phosphate ion · ion · 5 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 86 | 0.35 | 0.74 | 17 | XYS, XYP |
| 2 | 57 | 0.28 | 0.74 | 18 | empty |
Compared structures
- 5A6M · Determining the specificities of the catalytic site from the very high resolution… · 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 A3DJS9
- Elsewhere: RCSB PDB 5A6M · PDBe 5A6M · UniProt A3DJS9
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