MolNFT v1 · #109425 · protein
Clostridium difficile fic PROTEIN_0569 mutant S31A, E35A in complex with ATP
4X2D · Fic family protein putative filamentation induced by camp…: “Clostridium difficile fic PROTEIN_0569 mutant S31A, E35A in complex with ATP”. X-ray diffraction, 2 ligands (ATP, MG), 12 pockets (best druggability 0.78). MolNFT v1…
- PDB
- 4X2D
- Type
- protein
- Length
- 831 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fic family protein putative filamentation induced by camp protein
- UniProt
- C9YJ22
- Ligands
- ATP, MG
- Pockets
- 12 · best druggability 0.78
Structure
x-ray diffraction · 4 distinct chains · 62% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fic family protein putative filamentation induced by camp protein | protein | 227 | 59% helix, 3% strand | C9YJ22 |
| B | Fic family protein putative filamentation induced by camp protein | protein | 204 | 64% helix, 1% strand | C9YJ22 |
| C | Fic family protein putative filamentation induced by camp protein | protein | 198 | 63% helix, 1% strand | C9YJ22 |
| D | Fic family protein putative filamentation induced by camp protein | protein | 202 | 63% helix, 2% strand | C9YJ22 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 571 | 0.78 | 0.85 | 60 | empty |
| 2 | 951 | 0.75 | 0.78 | 80 | empty |
| 3 | 60 | 0.63 | 0.93 | 13 | empty |
| 4 | 242 | 0.60 | 0.80 | 27 | ATP |
| 5 | 158 | 0.53 | 0.80 | 29 | empty |
Interfaces
3 interfaces between chains.
- B–C · 781 Ų buried · 13 hydrogen bonds · protein-protein
- A–D · 501 Ų buried · 3 hydrogen bonds · protein-protein
- A–B · 301 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 4X2D · Clostridium difficile Fic protein_0569 mutant S31A, E35A in complex with ATP · 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 C9YJ22
- Elsewhere: RCSB PDB 4X2D · PDBe 4X2D · UniProt C9YJ22
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