MolNFT v1 · #139318 · protein
Crystal structure of gh family 81 beta-1,3-glucanase from rhizomucr miehei complexed with laminarihexaose
5XC2 · Endo-beta-1,3-glucanase: “Crystal structure of gh family 81 beta-1,3-glucanase from rhizomucr miehei complexed with laminarihexaose”. X-ray diffraction, 1 ligand (BGC), 20 pockets (best druggability 0.77). MolNFT v1 #139318 on…
- PDB
- 5XC2
- Type
- protein
- Length
- 2,790 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endo-beta-1,3-glucanase
- EC
- 3.2.1.39
- UniProt
- A0A023I7E1
- Ligands
- BGC
- Pockets
- 20 · best druggability 0.77
Structure
x-ray diffraction · 4 distinct chains · 33% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endo-beta-1,3-glucanase (EC 3.2.1.39) | protein | 717 | 32% helix, 24% strand | A0A023I7E1 |
| B | Endo-beta-1,3-glucanase (EC 3.2.1.39) | protein | 720 | 32% helix, 24% strand | A0A023I7E1 |
| C | Endo-beta-1,3-glucanase (EC 3.2.1.39) | protein | 705 | 33% helix, 24% strand | A0A023I7E1 |
| D | Endo-beta-1,3-glucanase (EC 3.2.1.39) | protein | 648 | 35% helix, 21% strand | A0A023I7E1 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 52 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1025 | 0.77 | 0.79 | 100 | empty |
| 2 | 1052 | 0.77 | 0.79 | 81 | empty |
| 3 | 52 | 0.72 | 0.99 | 20 | empty |
| 4 | 53 | 0.72 | 0.99 | 19 | empty |
| 5 | 53 | 0.71 | 0.99 | 20 | empty |
Interfaces
4 interfaces between chains.
- A–B · 652 Ų buried · 7 hydrogen bonds · protein-protein
- C–D · 370 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 80 Ų buried · 0 hydrogen bonds · protein-protein
- B–D · 51 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 glycan (glycosylation).
Compared structures
- 5XC2 · Crystal structure of GH family 81 beta-1,3-glucanase from Rhizomucr miehei complexed with… · 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 A0A023I7E1
- Elsewhere: RCSB PDB 5XC2 · PDBe 5XC2 · UniProt A0A023I7E1
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