MolNFT v1 · #152250 · protein
CRH5 transglycosylase in complex with nag
6IBW · Probable glycosidase CRF1: “CRH5 transglycosylase in complex with nag”. X-ray diffraction, 1 ligand (NAG), 4 pockets (best druggability 0.42). MolNFT v1 #152250 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6IBW
- Type
- protein
- Length
- 484 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable glycosidase CRF1
- EC
- 3.2.-.-
- UniProt
- Q8J0P4
- Ligands
- NAG
- Pockets
- 4 · best druggability 0.42
Structure
x-ray diffraction · 2 distinct chains · 6% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable glycosidase CRF1 (EC 3.2.-.-) | protein | 243 | 5% helix, 47% strand | Q8J0P4 |
| B | Probable glycosidase CRF1 (EC 3.2.-.-) | protein | 241 | 7% helix, 46% strand | Q8J0P4 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 12 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 160 | 0.42 | 0.74 | 24 | NAG |
| 2 | 132 | 0.39 | 0.73 | 23 | NAG |
| 3 | 94 | 0.35 | 0.74 | 17 | empty |
| 4 | 99 | 0.34 | 0.73 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 475 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide, 2 glycan (disulfide, glycosylation).
Compared structures
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 Q8J0P4
- Elsewhere: RCSB PDB 6IBW · PDBe 6IBW · UniProt Q8J0P4
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