MolNFT v1 · #5266 · protein
Atomic structure of the buried catalytic pocket of escherichia COLI chorismate mutase
1ECM · Endo-oxabicyclic transition state analogue: “Atomic structure of the buried catalytic pocket of escherichia COLI chorismate mutase”. X-ray diffraction, 1 ligand (TSA), 2 pockets (best druggability 0.75). MolNFT v1 #5266 on…
- PDB
- 1ECM
- Type
- protein
- Length
- 186 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endo-oxabicyclic transition state analogue
- UniProt
- P07022
- Ligands
- TSA
- Pockets
- 2 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 87% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endo-oxabicyclic transition state analogue | protein | 91 | 86% helix, 0% strand | P07022 |
| B | Endo-oxabicyclic transition state analogue | protein | 95 | 87% helix, 0% strand | P07022 |
Ligands and binding sites
- TSA · 8-hydroxy-2-oxa-bicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 84 | 0.75 | 0.97 | 17 | TSA |
| 2 | 78 | 0.72 | 0.96 | 17 | TSA |
Interfaces
1 interface between chains.
- A–B · 2580 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 1ECM · Atomic structure of the buried catalytic pocket of escherichia COLI chorismate mutase · the same entry in another collection · 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 P07022
- Elsewhere: RCSB PDB 1ECM · PDBe 1ECM · UniProt P07022
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