MolNFT v1 · #50355 · protein
Crystal structure of cellobiohydrolase from melanocarpus albomyces
2RFW · Cellulose 1,4-beta-cellobiosidase: “Crystal structure of cellobiohydrolase from melanocarpus albomyces”. X-ray diffraction, 14 pockets (best druggability 0.86). MolNFT v1 #50355 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 2RFW
- Type
- protein
- Length
- 1,720 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cellulose 1,4-beta-cellobiosidase
- EC
- 3.2.1.91
- UniProt
- Q8J0K6
- Pockets
- 14 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 12% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Cellulose 1,4-beta-cellobiosidase (EC 3.2.1.91) | protein | 430 | 12% helix, 33% strand | Q8J0K6 |
Pockets
14 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1027 | 0.86 | 0.87 | 104 | empty |
| 2 | 840 | 0.83 | 0.86 | 87 | empty |
| 3 | 806 | 0.83 | 0.86 | 80 | empty |
| 4 | 806 | 0.83 | 0.85 | 83 | empty |
| 5 | 97 | 0.74 | 0.96 | 22 | empty |
Interfaces
4 interfaces between chains.
- B–C · 902 Ų buried · 17 hydrogen bonds · protein-protein
- A–D · 897 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 357 Ų buried · 7 hydrogen bonds · protein-protein
- C–D · 319 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 35 disulfide, 4 modified (disulfide, cyclization).
Compared structures
- 2RFW · Crystal Structure of Cellobiohydrolase from Melanocarpus albomyces · the same entry in another collection · chain D against D, 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 Q8J0K6
- Elsewhere: RCSB PDB 2RFW · PDBe 2RFW · UniProt Q8J0K6
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