MolNFT v1 · #102392 · protein
Crystal structure of chlamydomonas reinhardtii isoamylase 1 (ISA1) in complex with maltoheptaose
4OKD: “Crystal structure of chlamydomonas reinhardtii isoamylase 1 (ISA1) in complex with maltoheptaose”. X-ray diffraction, 1 ligand (GLC), 16 pockets (best druggability 0.71). MolNFT v1 #102392 on GenesisL1: 3D structure, binding sites…
- PDB
- 4OKD
- Type
- protein
- Length
- 1,593 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Isoamylase
- EC
- 3.2.1.68
- UniProt
- Q7X8Q2
- Ligands
- GLC
- Pockets
- 16 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Isoamylase (EC 3.2.1.68) | protein | 801 | 25% helix, 19% strand | Q7X8Q2 |
| B | Isoamylase (EC 3.2.1.68) | protein | 792 | 25% helix, 20% strand | Q7X8Q2 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 24 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 51 | 0.71 | 0.99 | 19 | empty |
| 2 | 54 | 0.69 | 0.97 | 22 | empty |
| 3 | 448 | 0.64 | 0.77 | 49 | GLC |
| 4 | 361 | 0.61 | 0.77 | 39 | GLC |
| 5 | 255 | 0.52 | 0.76 | 29 | empty |
Interfaces
1 interface between chains.
- A–B · 1940 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 glycan (glycosylation).
Compared structures
- 4OKD · Crystal Structure of Chlamydomonas reinhardtii Isoamylase 1 (ISA1) in complex with… · 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 Q7X8Q2
- Elsewhere: RCSB PDB 4OKD · PDBe 4OKD · UniProt Q7X8Q2
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