MolNFT v1 · #156448 · protein
X-ray crystal structure of the E249Q mutant of alpha-amylase I from eisenia fetida
6M4L: “X-ray crystal structure of the E249Q mutant of alpha-amylase I from eisenia fetida”. X-ray diffraction, 3 ligands (CA, SO4, CL), 2 pockets (best druggability 0.59). MolNFT v1 #156448 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6M4L
- Type
- protein
- Length
- 496 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-amylase
- EC
- 3.2.1.1
- UniProt
- A0A173N065
- Ligands
- CA, SO4, CL
- Pockets
- 2 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 27% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-amylase (EC 3.2.1.1) | protein | 496 | 27% helix, 20% strand | A0A173N065 |
Ligands and binding sites
- CA · Calcium ion · metal · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A
- CL · Chloride ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 3 copies · chains A
- ACT · Acetate ion · additive · 2 copies · chains A
- PG4 · Tetraethylene glycol · additive · 2 copies · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
- PGE · Triethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 280 | 0.59 | 0.78 | 30 | ACT, PGE |
| 2 | 66 | 0.33 | 0.76 | 16 | empty |
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 6M4L · X-ray crystal structure of the E249Q mutant of alpha-amylase I from Eisenia fetida · 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 A0A173N065
- Elsewhere: RCSB PDB 6M4L · PDBe 6M4L · UniProt A0A173N065
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