MolNFT v1 · #12441 · protein
Three dimensional structure analysis of the R337Q variant of human pancreatic alpha-mylase
1KGW · Alpha-amylase, pancreatic: “Three dimensional structure analysis of the R337Q variant of human pancreatic alpha-mylase”. X-ray diffraction, 2 ligands (NAG, CA), 3 pockets (best druggability 0.57). MolNFT v1 #12441 on GenesisL1: 3D…
- PDB
- 1KGW
- Type
- protein
- Length
- 496 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-amylase, pancreatic
- EC
- 3.2.1.1
- UniProt
- P04746
- Ligands
- NAG, CA
- Pockets
- 3 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 27% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-amylase, pancreatic (EC 3.2.1.1) | protein | 496 | 27% helix, 23% strand | P04746 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
- CA · Calcium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 228 | 0.57 | 0.79 | 24 | empty |
| 2 | 69 | 0.35 | 0.77 | 16 | empty |
| 3 | 90 | 0.34 | 0.75 | 18 | empty |
Modifications
Observed in the structure: 5 disulfide, 1 glycan, 1 modified (disulfide, N-glycosylation, cyclization).
Compared structures
- 1KGW · Three dimensional structure analysis of the R337Q variant of human pancreatic alpha-mylase · the same entry in another collection · chain A against A, TM-score 1.00
- P04746 · AlphaFold monomer V2.0 prediction for pancreatic alpha-amylase (P04746) · 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 P04746
- Elsewhere: RCSB PDB 1KGW · PDBe 1KGW · UniProt P04746
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