MolNFT v1 · #59507 · protein
Crystal structure of the escu C-terminal domain with P263A mutation, space group P 1 21 1
3C03: “Crystal structure of the escu C-terminal domain with P263A mutation, space group P 1 21 1”. X-ray diffraction, 2 ligands (SNN, PRO), 1 pocket (best druggability 0.63). MolNFT v1 #59507 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3C03
- Type
- protein
- Length
- 194 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Escu
- UniProt
- Q9AJ26
- Ligands
- SNN, PRO
- Pockets
- 1 · best druggability 0.63
Structure
x-ray diffraction · 3 distinct chains · 47% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Escu | protein | 97 | 46% helix, 23% strand | Q9AJ26 |
| B | Escu | protein | 17 | 59% helix, 18% strand | Q9AJ26 |
| C | Escu | protein | 80 | 46% helix, 20% strand | Q9AJ26 |
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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 335 | 0.63 | 0.79 | 34 | SNN, PRO |
Interfaces
3 interfaces between chains.
- B–C · 1088 Ų buried · 15 hydrogen bonds · protein-protein
- A–C · 256 Ų buried · 3 hydrogen bonds · protein-protein
- A–B · 18 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 3C03 · Crystal structure of the EscU C-terminal domain with P263A mutation,space group P 1 21 1 · 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 Q9AJ26
- Elsewhere: RCSB PDB 3C03 · PDBe 3C03 · UniProt Q9AJ26
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