MolNFT v1 · #31057 · protein
S.PNEUMONIAE polypeptide deformylase complexed with sb- 485345
2AI7: “S.PNEUMONIAE polypeptide deformylase complexed with sb- 485345”. X-ray diffraction, 3 ligands (SB7, NI, SO4), 1 pocket (best druggability 0.54). MolNFT v1 #31057 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2AI7
- Type
- protein
- Length
- 194 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peptide deformylase
- EC
- 3.5.1.88
- UniProt
- Q8DP79
- Ligands
- SB7, NI, SO4
- Pockets
- 1 · best druggability 0.54
Structure
x-ray diffraction · 1 distinct chain · 29% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peptide deformylase (EC 3.5.1.88) | protein | 194 | 29% helix, 26% strand | Q8DP79 |
Ligands and binding sites
- SB7 · [hydroxy(3-phenylpropyl)amino]methanol · ligand · chains A
- NI · Nickel (II) ion · metal · chains A
- SO4 · Sulfate ion · ion · chains A
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 | 189 | 0.54 | 0.79 | 23 | SB7 |
Compared structures
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 Q8DP79
- Elsewhere: RCSB PDB 2AI7 · PDBe 2AI7 · UniProt Q8DP79
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