MolNFT v1 · #105053 · protein
Crystal structure of a putative glucoamylase (BACCAC_03554) from bacteroides caccae atcc 43185 at 2.05 a resolution
4QT9: “Crystal structure of a putative glucoamylase (BACCAC_03554) from bacteroides caccae atcc 43185 at 2.05 a…”. X-ray diffraction, 3 pockets (best druggability 0.54). MolNFT v1 #105053 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4QT9
- Type
- protein
- Length
- 827 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative glucoamylase
- UniProt
- A5ZKV7
- Pockets
- 3 · best druggability 0.54
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative glucoamylase | protein | 414 | 44% helix, 15% strand | A5ZKV7 |
| B | Putative glucoamylase | protein | 413 | 45% helix, 15% strand | A5ZKV7 |
Ligands and binding sites
- ACT · Acetate ion · additive · 4 copies · chains A, B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 230 | 0.54 | 0.77 | 38 | ACT, TRS |
| 2 | 237 | 0.53 | 0.76 | 34 | ACT |
| 3 | 162 | 0.51 | 0.79 | 31 | empty |
Interfaces
1 interface between chains.
- A–B · 449 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 24 modified (engineered).
Compared structures
- 4QT9 · Crystal structure of a putative glucoamylase (BACCAC_03554) from Bacteroides caccae ATCC… · 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 A5ZKV7
- Elsewhere: RCSB PDB 4QT9 · PDBe 4QT9 · UniProt A5ZKV7
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