MolNFT v1 · #11283 · protein
Crystal structure analysis of thermoactinomyces vulgaris R-47 alpha- amylase 1
1JI1 · Alpha-amylase I: “Crystal structure analysis of thermoactinomyces vulgaris R-47 alpha- amylase 1”. X-ray diffraction, 1 ligand (CA), 11 pockets (best druggability 0.69). MolNFT v1 #11283 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1JI1
- Type
- protein
- Length
- 1,274 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-amylase I
- EC
- 3.2.1.1
- UniProt
- Q60053
- Ligands
- CA
- Pockets
- 11 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 24% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Alpha-amylase I (EC 3.2.1.1) | protein | 637 | 24% helix, 27% strand | Q60053 |
Ligands and binding sites
- CA · Calcium ion · metal · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 278 | 0.69 | 0.84 | 43 | empty |
| 2 | 281 | 0.69 | 0.84 | 43 | empty |
| 3 | 260 | 0.54 | 0.76 | 35 | empty |
| 4 | 259 | 0.54 | 0.76 | 33 | empty |
| 5 | 52 | 0.37 | 0.80 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 434 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 1JI1 · Crystal Structure Analysis of Thermoactinomyces vulgaris R-47 alpha-Amylase 1 · the same entry in another collection · chain A against A, TM-score 1.00
- Q60053 · AlphaFold monomer V2.0 prediction for neopullulanase 1 (Q60053) · a predicted model of the same protein · 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 Q60053
- Elsewhere: RCSB PDB 1JI1 · PDBe 1JI1 · UniProt Q60053
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