MolNFT v1 · #164895 · protein
Crystal structure of bacteroides thetaiotamicron endobt-3987 in complex with MAN9GLCNAC2ASN substrate
6TCV · Endo-beta-N-acetylglucosaminidase F1: “Crystal structure of bacteroides thetaiotamicron endobt-3987 in complex with MAN9GLCNAC2ASN substrate”. X-ray diffraction, 4 ligands (ASN, MAN, NAG), 2 pockets (best druggability 0.77). MolNFT…
- PDB
- 6TCV
- Type
- protein
- Length
- 397 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endo-beta-N-acetylglucosaminidase F1
- UniProt
- Q8A0N4
- Ligands
- ASN, MAN, NAG, BMA
- Pockets
- 2 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 26% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Endo-beta-N-acetylglucosaminidase F1 | protein | 397 | 26% helix, 29% strand | Q8A0N4 |
Ligands and binding sites
- ASN · Asparagine · ligand · chains B
- MAN · alpha-D-mannopyranose · sugar · 8 copies · chains B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains B
- BMA · beta-D-mannopyranose · sugar · chains B
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 752 | 0.77 | 0.81 | 77 | empty |
| 2 | 251 | 0.55 | 0.77 | 30 | empty |
Compared structures
- 6TCV · Crystal structure of Bacteroides thetaiotamicron EndoBT-3987 in complex with… · the same entry in another collection · chain B against B, 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 Q8A0N4
- Elsewhere: RCSB PDB 6TCV · PDBe 6TCV · UniProt Q8A0N4
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