MolNFT v1 · #80545 · protein
Crystal structure of peptide deformylase from ehrlichia chaffeensis in complex with actinonin
3U04 · Peptide deformylase 1: “Crystal structure of peptide deformylase from ehrlichia chaffeensis in complex with actinonin”. X-ray diffraction, 3 ligands (BB2, ZN, CL), 2 pockets (best druggability 0.51). MolNFT v1 #80545 on GenesisL1…
- PDB
- 3U04
- Type
- protein
- Length
- 172 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peptide deformylase 1
- EC
- 3.5.1.88
- UniProt
- Q2GI30
- Ligands
- BB2, ZN, CL
- Pockets
- 2 · best druggability 0.51
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peptide deformylase 1 (EC 3.5.1.88) | protein | 172 | 33% helix, 29% strand | Q2GI30 |
Ligands and binding sites
- BB2 · Actinonin · ligand · chains A
- ZN · Zinc ion · metal · chains A
- CL · Chloride ion · ion · 2 copies · 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 | 119 | 0.51 | 0.81 | 21 | BB2 |
| 2 | 55 | 0.32 | 0.76 | 13 | empty |
Compared structures
- 3U04 · Crystal structure of peptide deformylase from ehrlichia chaffeensis 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 Q2GI30
- Elsewhere: RCSB PDB 3U04 · PDBe 3U04 · UniProt Q2GI30
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