MolNFT v1 · #30045 · protein
Crystal structure of the reaction intermediate of L-2-haloacid dehalogenase with 2-chloro-N-butyrate
1ZRM: “Crystal structure of the reaction intermediate of L-2-haloacid dehalogenase with 2-chloro-N-butyrate”. X-ray diffraction, 1 ligand (BUA), 1 pocket (best druggability 0.44). MolNFT v1 #30045 on GenesisL1: 3D structure, binding sites…
- PDB
- 1ZRM
- Type
- protein
- Length
- 220 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- L-2-haloacid dehalogenase
- EC
- 3.8.1.2
- UniProt
- Q53464
- Ligands
- BUA
- Pockets
- 1 · best druggability 0.44
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | L-2-haloacid dehalogenase (EC 3.8.1.2) | protein | 220 | 51% helix, 14% strand | Q53464 |
Ligands and binding sites
- BUA · butanoic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 169 | 0.44 | 0.75 | 27 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 1ZRM · Crystal structure of the reaction intermediate of L-2-haloacid dehalogenase with… · the same entry in another collection · chain A against A, TM-score 1.00
- Q53464 · AlphaFold monomer V2.0 prediction for (S)-2-haloacid dehalogenase (Q53464) · a predicted model of the same protein · 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 Q53464
- Elsewhere: RCSB PDB 1ZRM · PDBe 1ZRM · UniProt Q53464
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