MolNFT v1 · #151914 · protein
Calcium structure of trichoderma reesei carbohydrate-active enzymes family AA12
6I1T · Soluble quino protein glucose dehydrogenase: “Calcium structure of trichoderma reesei carbohydrate-active enzymes family AA12”. X-ray diffraction, 2 ligands (NAG, CA), 4 pockets (best druggability 0.64). MolNFT v1 #151914 on…
- PDB
- 6I1T
- Type
- protein
- Length
- 405 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Soluble quino protein glucose dehydrogenase
- UniProt
- A0A024S820
- Ligands
- NAG, CA
- Pockets
- 4 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Soluble quino protein glucose dehydrogenase | protein | 405 | 7% helix, 39% strand | A0A024S820 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 7 copies · chains A
- CA · Calcium ion · metal · 2 copies · chains A
- PGE · Triethylene glycol · additive · 2 copies · chains A
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 | 381 | 0.64 | 0.79 | 52 | PGE |
| 2 | 165 | 0.47 | 0.77 | 25 | CA |
| 3 | 79 | 0.35 | 0.76 | 21 | empty |
| 4 | 60 | 0.28 | 0.74 | 20 | empty |
Modifications
Observed in the structure: 5 glycan, 3 disulfide (N-glycosylation, disulfide).
Compared structures
- 6I1T · Calcium structure of Trichoderma reesei Carbohydrate-Active Enzymes Family AA12 · 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 A0A024S820
- Elsewhere: RCSB PDB 6I1T · PDBe 6I1T · UniProt A0A024S820
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