MolNFT v1 · #29773 · protein
Crystal structure analysis of the dienelactone hydrolase mutant (C123S) bound with the pms moiety of the protease inhibitor, phenylmethylsulfonyl fluoride (pmsf)- 1.9 a
1ZIY · Carboxymethylenebutenolidase: “Crystal structure analysis of the dienelactone hydrolase mutant (C123S) bound with the pms moiety of the…”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.32). MolNFT v1 #29773 on…
- PDB
- 1ZIY
- Type
- protein
- Length
- 233 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carboxymethylenebutenolidase
- EC
- 3.1.1.45
- UniProt
- P0A114
- Ligands
- SO4
- Pockets
- 1 · best druggability 0.32
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carboxymethylenebutenolidase (EC 3.1.1.45) | protein | 233 | 41% helix, 21% strand | P0A114 |
Ligands and binding sites
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 | 56 | 0.32 | 0.76 | 13 | empty |
Modifications
Observed in the structure: 1 modified (nonstandard).
Compared structures
- 1ZIY · Crystal Structure Analysis of the dienelactone hydrolase mutant (C123S) bound with the… · the same entry in another collection · chain A against A, TM-score 1.00
- P0A114 · AlphaFold monomer V2.0 prediction for carboxymethylenebutenolidase (P0A114) · 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 P0A114
- Elsewhere: RCSB PDB 1ZIY · PDBe 1ZIY · UniProt P0A114
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