MolNFT v1 · #58670 · protein
Human pancreatic alpha amylase with bound nitrate
3BAI · Pancreatic alpha-amylase: “Human pancreatic alpha amylase with bound nitrate”. X-ray diffraction, 3 ligands (NAG, CA, NO3), 3 pockets (best druggability 0.56). MolNFT v1 #58670 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 3BAI
- Type
- protein
- Length
- 496 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pancreatic alpha-amylase
- EC
- 3.2.1.1
- UniProt
- P04746
- Ligands
- NAG, CA, NO3
- Pockets
- 3 · best druggability 0.56
Structure
x-ray diffraction · 1 distinct chain · 28% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pancreatic alpha-amylase (EC 3.2.1.1) | protein | 496 | 28% helix, 24% strand | P04746 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
- CA · Calcium ion · metal · chains A
- NO3 · Nitrate ion · ion · 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 | 248 | 0.56 | 0.78 | 26 | empty |
| 2 | 77 | 0.35 | 0.76 | 18 | empty |
| 3 | 86 | 0.33 | 0.75 | 20 | empty |
Modifications
Observed in the structure: 5 disulfide, 1 glycan, 1 modified (disulfide, N-glycosylation, cyclization).
Compared structures
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 3BAI · PDBe 3BAI · UniProt P04746
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