Research workbench
Crystal structure of the C-C bond hydrolase mhpc
Analyse Crystal structure of the C-C bond hydrolase mhpc in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1U2E
- Type
- protein
- Length
- 1,143 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2-hydroxy-6-ketonona-2,4-dienedioic acid hydrolase
- EC
- 3.7.1.-
- UniProt
- P77044
- Ligands
- CL
- Pockets
- 9 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | 2-hydroxy-6-ketonona-2,4-dienedioic acid hydrolase (EC 3.7.1.-) | protein | 286 | 42% helix, 18% strand | P77044 |
| D | 2-hydroxy-6-ketonona-2,4-dienedioic acid hydrolase (EC 3.7.1.-) | protein | 285 | 44% helix, 18% strand | P77044 |
Ligands and binding sites
- CL · Chloride ion · ion · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1026 | 0.81 | 0.82 | 106 | CL |
| 2 | 511 | 0.76 | 0.83 | 59 | CL |
| 3 | 506 | 0.74 | 0.82 | 54 | CL |
| 4 | 132 | 0.46 | 0.78 | 32 | empty |
| 5 | 74 | 0.41 | 0.80 | 26 | empty |
Interfaces
6 interfaces between chains.
- A–C · 996 Ų buried · 24 hydrogen bonds · protein-protein
- B–D · 992 Ų buried · 22 hydrogen bonds · protein-protein
- A–B · 845 Ų buried · 14 hydrogen bonds · protein-protein
- C–D · 838 Ų buried · 14 hydrogen bonds · protein-protein
- A–D · 553 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 1U2E · Crystal Structure of the C-C bond hydrolase MhpC · the same entry in another collection · chain A against A, TM-score 1.00
- P77044 · AlphaFold monomer V2.0 prediction for 2-hydroxy-6-OXONONADIENEDIOATE/2-hydroxy-6-oxononatr… · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P77044
- Elsewhere: RCSB PDB 1U2E · PDBe 1U2E · UniProt P77044
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