MolNFT v1 · #47852 · protein
Exo-B-(1,3)-glucanase from candida albicans in complex with unhydrolysed and covalently linked 2,4-dinitrophenyl-2-deoxy-2- fluoro-B-D-glucopyranoside at 1.9 a
2PB1 · Hypothetical protein XOG1: “Exo-B-(1,3)-glucanase from candida albicans in complex with unhydrolysed and covalently linked…”. X-ray diffraction, 2 ligands (G2F, NFG), 3 pockets (best druggability 0.64). MolNFT v1 #47852 on…
- PDB
- 2PB1
- Type
- protein
- Length
- 394 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein XOG1
- EC
- 3.2.1.58
- UniProt
- Q5AIZ3
- Ligands
- G2F, NFG
- Pockets
- 3 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypothetical protein XOG1 (EC 3.2.1.58) | protein | 394 | 39% helix, 12% strand | Q5AIZ3 |
Ligands and binding sites
- G2F · 2-deoxy-2-fluoro-alpha-D-glucopyranose · ligand · chains A
- NFG · 2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucopyranoside · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 361 | 0.64 | 0.79 | 38 | G2F, NFG |
| 2 | 56 | 0.34 | 0.77 | 13 | empty |
| 3 | 53 | 0.28 | 0.75 | 18 | empty |
Modifications
Observed in the structure: 2 disulfide, 1 covalent (disulfide, covalent ligand).
Compared structures
- 2PB1 · Exo-B-(1,3)-Glucanase from Candida Albicans in complex with unhydrolysed and covalently… · 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 Q5AIZ3
- Elsewhere: RCSB PDB 2PB1 · PDBe 2PB1 · UniProt Q5AIZ3
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