MolNFT v1 · #156837 · protein
Crystal structure of alpha-amino-beta-carboxymuconate-epsilon- semialdehyde-decarboxylase with space group of C2221
6MGS · 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase: “Crystal structure of alpha-amino-beta-carboxymuconate-epsilon- semialdehyde-decarboxylase with space group of…”. X-ray diffraction, 1 ligand (CO), 8 pockets (best druggability…
- PDB
- 6MGS
- Type
- protein
- Length
- 992 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase
- UniProt
- Q83V25
- Ligands
- CO
- Pockets
- 8 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase | protein | 331 | 44% helix, 15% strand | Q83V25 |
| C | 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase | protein | 330 | 44% helix, 15% strand | Q83V25 |
Ligands and binding sites
- CO · Cobalt (II) ion · metal · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 482 | 0.67 | 0.79 | 53 | empty |
| 2 | 351 | 0.63 | 0.78 | 44 | empty |
| 3 | 251 | 0.58 | 0.78 | 36 | empty |
| 4 | 253 | 0.57 | 0.78 | 38 | empty |
| 5 | 110 | 0.44 | 0.78 | 17 | empty |
Interfaces
2 interfaces between chains.
- B–C · 2696 Ų buried · 25 hydrogen bonds · protein-protein
- A–B · 370 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 6MGS · Crystal structure of alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde-Decarboxylase… · 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 Q83V25
- Elsewhere: RCSB PDB 6MGS · PDBe 6MGS · UniProt Q83V25
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