MolNFT v1 · #114302 · protein
Beta-amylase from bacillus cereus var. mycoides
5BCA · Protein (1,4-alpha-D-glucan maltohydrolase.): “Beta-amylase from bacillus cereus var. mycoides”. X-ray diffraction, 1 ligand (CA), 20 pockets (best druggability 0.77). MolNFT v1 #114302 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5BCA
- Type
- protein
- Length
- 2,064 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (1,4-alpha-D-glucan maltohydrolase.)
- EC
- 3.2.1.2
- UniProt
- Q9Z4N9
- Ligands
- CA
- Pockets
- 20 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Protein (1,4-alpha-D-glucan maltohydrolase.) (EC 3.2.1.2) | protein | 516 | 39% helix, 19% strand | Q9Z4N9 |
Ligands and binding sites
- CA · Calcium ion · metal · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 860 | 0.77 | 0.80 | 98 | empty |
| 2 | 1009 | 0.75 | 0.77 | 104 | empty |
| 3 | 405 | 0.66 | 0.79 | 45 | empty |
| 4 | 496 | 0.65 | 0.77 | 47 | empty |
| 5 | 472 | 0.64 | 0.77 | 49 | empty |
Interfaces
4 interfaces between chains.
- A–B · 680 Ų buried · 7 hydrogen bonds · protein-protein
- C–D · 668 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 525 Ų buried · 0 hydrogen bonds · protein-protein
- B–D · 483 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 5BCA · Beta-amylase from bacillus cereus var. mycoides · 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 Q9Z4N9
- Elsewhere: RCSB PDB 5BCA · PDBe 5BCA · UniProt Q9Z4N9
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