MolNFT v1 · #102220 · protein
2.0 ångströms X-ray crystal structure of human 2-amino-3- carboxymuconate-6-semialdehye decarboxylase
4OFC · 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase: “2.0 ångströms X-ray crystal structure of human 2-amino-3- carboxymuconate-6-semialdehye decarboxylase”. X-ray diffraction, 1 ligand (ZN), 20 pockets (best druggability 0.76).…
- PDB
- 4OFC
- Type
- protein
- Length
- 2,010 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase
- EC
- 4.1.1.45
- UniProt
- Q8TDX5
- Ligands
- ZN
- Pockets
- 20 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase (EC 4.1.1.45) | protein | 335 | 47% helix, 18% strand | Q8TDX5 |
Ligands and binding sites
- ZN · Zinc ion · metal · 6 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 948 | 0.76 | 0.79 | 53 | empty |
| 2 | 252 | 0.69 | 0.85 | 21 | empty |
| 3 | 231 | 0.69 | 0.85 | 20 | empty |
| 4 | 409 | 0.67 | 0.79 | 56 | empty |
| 5 | 256 | 0.66 | 0.83 | 25 | empty |
Interfaces
6 interfaces between chains.
- D–E · 2539 Ų buried · 35 hydrogen bonds · protein-protein
- B–C · 2523 Ų buried · 37 hydrogen bonds · protein-protein
- A–F · 2484 Ų buried · 36 hydrogen bonds · protein-protein
- A–B · 501 Ų buried · 1 hydrogen bond · protein-protein
- B–E · 181 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 4OFC · 2.0 Angstroms X-ray crystal structure of human 2-amino-3-carboxymuconate-6-semialdehye… · the same entry in another collection · chain F against F, TM-score 1.00
- Q8TDX5 · AlphaFold monomer V2.0 prediction for 2-amino-3-carboxymuconate-6-semialdehyde… · a predicted model of the same protein · chain E against A, TM-score 0.99
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 Q8TDX5
- Elsewhere: RCSB PDB 4OFC · PDBe 4OFC · UniProt Q8TDX5
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