MolNFT v1 · #88861 · protein
The structure of the catalytic domain of NCLPMO9C from the filamentous fungus neurospora crassa
4D7V · Endoglucanase II: “The structure of the catalytic domain of NCLPMO9C from the filamentous fungus neurospora crassa”. X-ray diffraction, 1 ligand (ZN), 3 pockets (best druggability 0.54). MolNFT v1 #88861 on GenesisL1: 3D structure…
- PDB
- 4D7V
- Type
- protein
- Length
- 451 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endoglucanase II
- UniProt
- Q7SHI8
- Ligands
- ZN
- Pockets
- 3 · best druggability 0.54
Structure
x-ray diffraction · 2 distinct chains · 8% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endoglucanase II | protein | 227 | 8% helix, 36% strand | Q7SHI8 |
| B | Endoglucanase II | protein | 224 | 8% helix, 35% strand | Q7SHI8 |
Ligands and binding sites
- ZN · Zinc ion · metal · 6 copies · chains A, B
- ACT · Acetate ion · additive · 8 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · 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 | 254 | 0.54 | 0.77 | 32 | empty |
| 2 | 51 | 0.33 | 0.78 | 15 | ACT |
| 3 | 70 | 0.32 | 0.75 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 289 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 4D7V · The structure of the catalytic domain of NcLPMO9C from the filamentous fungus Neurospora… · 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 Q7SHI8
- Elsewhere: RCSB PDB 4D7V · PDBe 4D7V · UniProt Q7SHI8
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