MolNFT v1 · #115350 · protein
Crystal structure of galb, the 4-carboxy-2-hydroxymuconate hydratase, from pseuodomonas putida KT2440
5CGZ · 4-oxalmesaconate hydratase: “Crystal structure of galb, the 4-carboxy-2-hydroxymuconate hydratase, from pseuodomonas putida KT2440”. X-ray diffraction, 1 ligand (ZN), 2 pockets (best druggability 0.57). MolNFT v1 #115350 on…
- PDB
- 5CGZ
- Type
- protein
- Length
- 480 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 4-oxalmesaconate hydratase
- EC
- 4.2.1.83
- UniProt
- Q88JX8
- Ligands
- ZN
- Pockets
- 2 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 4-oxalmesaconate hydratase (EC 4.2.1.83) | protein | 240 | 42% helix, 14% strand | Q88JX8 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 392 | 0.57 | 0.75 | 55 | GOL |
| 2 | 179 | 0.49 | 0.77 | 35 | empty |
Interfaces
1 interface between chains.
- A–B · 146 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 5CGZ · Crystal structure of GalB, the 4-carboxy-2-hydroxymuconate hydratase, from Pseuodomonas… · the same entry in another collection · chain A against A, TM-score 1.00
- Q88JX8 · AlphaFold monomer V2.0 prediction for 4-oxalmesaconate hydratase (Q88JX8) · 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 Q88JX8
- Elsewhere: RCSB PDB 5CGZ · PDBe 5CGZ · UniProt Q88JX8
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