MolNFT v1 · #184357 · protein
Crystal structure of PBP3 transpeptidase domain from E. COLI
7ONO · Peptidoglycan D,D-transpeptidase ftsi: “Crystal structure of PBP3 transpeptidase domain from E. COLI”. X-ray diffraction, 1 ligand (TMO), 2 pockets (best druggability 0.52). MolNFT v1 #184357 on GenesisL1: 3D structure, binding…
- PDB
- 7ONO
- Type
- protein
- Length
- 406 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peptidoglycan D,D-transpeptidase ftsi
- EC
- 3.4.16.4
- UniProt
- P0AD68
- Ligands
- TMO
- Pockets
- 2 · best druggability 0.52
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peptidoglycan D,D-transpeptidase ftsi (EC 3.4.16.4) | protein | 406 | 32% helix, 23% strand | P0AD68 |
Ligands and binding sites
- TMO · trimethylamine oxide · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 278 | 0.52 | 0.75 | 35 | empty |
| 2 | 121 | 0.51 | 0.81 | 21 | empty |
Compared structures
- 7ONO · Crystal structure of PBP3 transpeptidase domain from E. coli · the same entry in another collection · chain A against A, TM-score 1.00
- P0AD68 · AlphaFold monomer V2.0 prediction for peptidoglycan D,D-transpeptidase ftsi (P0AD68) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P0AD68
- Elsewhere: RCSB PDB 7ONO · PDBe 7ONO · UniProt P0AD68
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