MolNFT v1 · #93230 · protein
Crystal structure of a GH7 family cellobiohydrolase from limnoria quadripunctata
4GWA · GH7 family protein: “Crystal structure of a GH7 family cellobiohydrolase from limnoria quadripunctata”. X-ray diffraction, 1 ligand (MG), 4 pockets (best druggability 0.81). MolNFT v1 #93230 on GenesisL1: 3D structure, binding sites…
- PDB
- 4GWA
- Type
- protein
- Length
- 862 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GH7 family protein
- EC
- 3.2.1.91
- UniProt
- D4HRL0
- Ligands
- MG
- Pockets
- 4 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 14% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | GH7 family protein (EC 3.2.1.91) | protein | 431 | 14% helix, 36% strand | D4HRL0 |
Ligands and binding sites
- MG · Magnesium ion · metal · 8 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1075 | 0.81 | 0.82 | 85 | empty |
| 2 | 1091 | 0.81 | 0.82 | 77 | empty |
| 3 | 938 | 0.74 | 0.78 | 76 | MG |
| 4 | 57 | 0.28 | 0.75 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 383 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 disulfide, 2 modified (disulfide, cyclization).
Compared structures
- 4GWA · Crystal Structure of a GH7 Family Cellobiohydrolase from Limnoria quadripunctata · the same entry in another collection · chain A against A, TM-score 1.00
- D4HRL0 · AlphaFold monomer V2.0 prediction for exoglucanase GH7B (D4HRL0) · a predicted model of the same protein · chain B 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 D4HRL0
- Elsewhere: RCSB PDB 4GWA · PDBe 4GWA · UniProt D4HRL0
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