MolNFT v1 · #102821 · protein
Crystal structure of vibrio cholerae adenylation domain alme in complex with glycyl-adenosine-5'-phosphate
4OXI · Enterobactin synthetase component F-related protein: “Crystal structure of vibrio cholerae adenylation domain alme in complex with glycyl-adenosine-5'-phosphate”. X-ray diffraction, 1 ligand (GAP), 2 pockets (best druggability…
- PDB
- 4OXI
- Type
- protein
- Length
- 526 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enterobactin synthetase component F-related protein
- UniProt
- Q9KRQ7
- Ligands
- GAP
- Pockets
- 2 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enterobactin synthetase component F-related protein | protein | 526 | 33% helix, 25% strand | Q9KRQ7 |
Ligands and binding sites
- GAP · Glycyl-adenosine-5'-phosphate · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 976 | 0.81 | 0.83 | 97 | GAP |
| 2 | 81 | 0.38 | 0.77 | 19 | empty |
Compared structures
- 4OXI · Crystal structure of Vibrio cholerae adenylation domain AlmE in complex with… · 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 Q9KRQ7
- Elsewhere: RCSB PDB 4OXI · PDBe 4OXI · UniProt Q9KRQ7
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