MolNFT v1 · #101391 · protein
Crystal structure of the family 12 xyloglucanase from aspergillus niveus
4NPR · Xyloglucan-specific endo-beta-1,4-glucanase GH12: “Crystal structure of the family 12 xyloglucanase from aspergillus niveus”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.79). MolNFT v1 #101391 on GenesisL1: 3D…
- PDB
- 4NPR
- Type
- protein
- Length
- 440 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Xyloglucan-specific endo-beta-1,4-glucanase GH12
- EC
- 3.2.1.151
- UniProt
- H6TQN1
- Ligands
- SO4
- Pockets
- 1 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 8% helix, 58% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Xyloglucan-specific endo-beta-1,4-glucanase GH12 (EC 3.2.1.151) | protein | 221 | 7% helix, 57% strand | H6TQN1 |
| B | Xyloglucan-specific endo-beta-1,4-glucanase GH12 (EC 3.2.1.151) | protein | 219 | 8% helix, 58% strand | H6TQN1 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 861 | 0.79 | 0.82 | 102 | empty |
Interfaces
1 interface between chains.
- A–B · 887 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4NPR · Crystal Structure of the Family 12 Xyloglucanase from Aspergillus niveus · 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 H6TQN1
- Elsewhere: RCSB PDB 4NPR · PDBe 4NPR · UniProt H6TQN1
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