MolNFT v1 · #120000 · protein
Crystal structure of fi-cmcase from aspergillus aculeatus F-50
5GM3 · Endoglucanase-1: “Crystal structure of fi-cmcase from aspergillus aculeatus F-50”. X-ray diffraction, 1 ligand (ZN), 3 pockets (best druggability 0.68). MolNFT v1 #120000 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5GM3
- Type
- protein
- Length
- 437 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endoglucanase-1
- EC
- 3.2.1.4
- UniProt
- P22669
- Ligands
- ZN
- Pockets
- 3 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 9% helix, 56% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endoglucanase-1 (EC 3.2.1.4) | protein | 219 | 9% helix, 56% strand | P22669 |
| B | Endoglucanase-1 (EC 3.2.1.4) | protein | 218 | 9% helix, 56% strand | P22669 |
Ligands and binding sites
- ZN · Zinc ion · metal · 8 copies · chains A, B
- CAC · Cacodylate ion · additive · 4 copies · chains A, B
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 | 340 | 0.68 | 0.82 | 56 | empty |
| 2 | 224 | 0.49 | 0.75 | 37 | empty |
| 3 | 64 | 0.36 | 0.78 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 604 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
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 P22669
- Elsewhere: RCSB PDB 5GM3 · PDBe 5GM3 · UniProt P22669
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