MolNFT v1 · #2407 · protein
Pig pancreatic alpha-amylase in complex with the proteinaceous inhibitor tendamistat
1BVN · Protein (alpha-amylase): “Pig pancreatic alpha-amylase in complex with the proteinaceous inhibitor tendamistat”. X-ray diffraction, 2 ligands (CA, CL), 6 pockets (best druggability 0.44). MolNFT v1 #2407 on GenesisL1: 3D structure…
- PDB
- 1BVN
- Type
- protein
- Length
- 567 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (alpha-amylase); Protein (tendamistat)
- EC
- 3.2.1.1
- UniProt
- P00690, P01092
- Ligands
- CA, CL
- Pockets
- 6 · best druggability 0.44
Structure
x-ray diffraction · 2 distinct chains · 23% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| P | Protein (alpha-amylase) (EC 3.2.1.1) | protein | 496 | 27% helix, 23% strand | P00690 |
| T | Protein (tendamistat) | protein | 71 | 0% helix, 49% strand | P01092 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 131 | 0.44 | 0.77 | 21 | empty |
| 2 | 75 | 0.43 | 0.81 | 21 | empty |
| 3 | 63 | 0.37 | 0.79 | 18 | empty |
| 4 | 85 | 0.36 | 0.75 | 21 | empty |
| 5 | 84 | 0.31 | 0.73 | 20 | empty |
Interfaces
1 interface between chains.
- P–T · 1174 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 7 disulfide (disulfide).
Compared structures
- 1BVN · Pig pancreatic alpha-amylase in complex with the proteinaceous inhibitor tendamistat · the same entry in another collection · chain P against P, TM-score 1.00
- P00690 · AlphaFold monomer V2.0 prediction for pancreatic alpha-amylase (P00690) · a predicted model of the same protein · chain P against A, TM-score 0.99
- P01092 · AlphaFold monomer V2.0 prediction for alpha-amylase inhibitor hoe-467A (P01092) · a predicted model of the same protein · chain T against A, TM-score 0.98
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 P00690
- Every structure of UniProt P01092
- Elsewhere: RCSB PDB 1BVN · PDBe 1BVN · UniProt P00690 · UniProt P01092
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