MolNFT v1 · #90714 · protein
Evidence for a dual role of an active site histidine in alpha-amino- beta-carboxymuconate-epsilon-semialdehyde decarboxylase
4ERI · 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase: “Evidence for a dual role of an active site histidine in alpha-amino…”. X-ray diffraction, 2 ligands (ZN, MG), 6 pockets (best druggability 0.69). MolNFT v1 #90714 on…
- PDB
- 4ERI
- Type
- protein
- Length
- 661 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase
- UniProt
- Q83V25
- Ligands
- ZN, MG
- Pockets
- 6 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase | protein | 331 | 46% helix, 16% strand | Q83V25 |
| B | 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase | protein | 330 | 46% helix, 15% strand | Q83V25 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 99 | 0.69 | 0.92 | 29 | empty |
| 2 | 371 | 0.67 | 0.80 | 33 | empty |
| 3 | 354 | 0.61 | 0.77 | 32 | empty |
| 4 | 125 | 0.42 | 0.76 | 26 | empty |
| 5 | 86 | 0.39 | 0.77 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 2572 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 4ERI · Evidence for a Dual Role of an Active Site Histidine in… · 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 4ERI · PDBe 4ERI · UniProt Q83V25
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