Research workbench
The reaction mechanism of the N-isopropylammelide isopropylaminohydrolase atzc: insights from structural and mutagenesis studies
Analyse The reaction mechanism of the N-isopropylammelide isopropylaminohydrolase atzc… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4CQC
- Type
- protein
- Length
- 801 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- N-isopropylammelide isopropyl amidohydrolase
- EC
- 3.5.99.4
- UniProt
- O52063
- Ligands
- ZN, CL
- Pockets
- 6 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | N-isopropylammelide isopropyl amidohydrolase (EC 3.5.99.4) | protein | 401 | 37% helix, 25% strand | O52063 |
| B | N-isopropylammelide isopropyl amidohydrolase (EC 3.5.99.4) | protein | 400 | 37% helix, 24% strand | O52063 |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 438 | 0.64 | 0.78 | 35 | empty |
| 2 | 161 | 0.59 | 0.83 | 30 | empty |
| 3 | 157 | 0.57 | 0.82 | 35 | empty |
| 4 | 189 | 0.56 | 0.80 | 31 | empty |
| 5 | 176 | 0.55 | 0.80 | 31 | empty |
Interfaces
1 interface between chains.
- A–B · 1927 Ų buried · 24 hydrogen bonds · protein-protein
Compared structures
- 4CQC · The reaction mechanism of the N-isopropylammelide isopropylaminohydrolase AtzC: insights… · the same entry in another collection · chain A against A, TM-score 1.00
- O52063 · AlphaFold monomer V2.0 prediction for N-isopropylammelide isopropyl amidohydrolase… · a predicted model of the same protein · chain B 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 O52063
- Elsewhere: RCSB PDB 4CQC · PDBe 4CQC · UniProt O52063
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