Research workbench
AFGH61B wild-type copper loaded
Analyse AFGH61B wild-type copper loaded in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6HAQ
- Type
- protein
- Length
- 456 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endoglucanase, putative
- EC
- 3.2.1.-
- UniProt
- Q4WP32
- Ligands
- NAG, CU
- Pockets
- 4 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 10% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Endoglucanase, putative (EC 3.2.1.-) | protein | 228 | 10% helix, 34% strand | Q4WP32 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
- CU · Copper (II) ion · metal · 2 copies · chains A, B
- ACT · Acetate ion · additive · chains 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 406 | 0.58 | 0.75 | 41 | empty |
| 2 | 71 | 0.38 | 0.78 | 16 | empty |
| 3 | 66 | 0.37 | 0.78 | 16 | empty |
| 4 | 61 | 0.30 | 0.75 | 19 | ACT |
Interfaces
1 interface between chains.
- A–B · 88 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 4 disulfide, 2 modified, 1 glycan (disulfide, methylation, N-glycosylation).
Compared structures
- 6HAQ · AFGH61B wild-type copper loaded · 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 Q4WP32
- Elsewhere: RCSB PDB 6HAQ · PDBe 6HAQ · UniProt Q4WP32
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