Research workbench
Ceue in complex with mecam
Analyse Ceue in complex with mecam in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2CHU
- Type
- protein
- Length
- 566 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enterochelin uptake periplasmic binding protein
- UniProt
- Q9PMU4
- Ligands
- ECA, ZN, FE
- Pockets
- 4 · best druggability 0.53
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enterochelin uptake periplasmic binding protein | protein | 283 | 41% helix, 21% strand | Q9PMU4 |
| B | Enterochelin uptake periplasmic binding protein | protein | 283 | 42% helix, 21% strand | Q9PMU4 |
Ligands and binding sites
- ECA · N,N',N''-[benzene-1,3,5-triyltris(methylene)]tris(2,3-dihydroxybenzamide) · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- FE · Fe (III) ion · metal · 2 copies · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 143 | 0.53 | 0.81 | 30 | empty |
| 2 | 110 | 0.50 | 0.81 | 22 | empty |
| 3 | 97 | 0.34 | 0.74 | 18 | empty |
| 4 | 68 | 0.30 | 0.74 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 151 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 2CHU · CeuE in complex with mecam · 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 Q9PMU4
- Elsewhere: RCSB PDB 2CHU · PDBe 2CHU · UniProt Q9PMU4
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