MolNFT v1 · #72524 · protein
Crystal structure of aquifex aeolicus peptidoglycan glycosyltransferase in complex with decarboxylated neryl moenomycin
3NB7 · Penicillin-binding protein 1A: “Crystal structure of aquifex aeolicus peptidoglycan glycosyltransferase in complex with decarboxylated neryl…”. X-ray diffraction, 2 pockets (best druggability 0.54). MolNFT v1 #72524 on GenesisL1: 3D…
- PDB
- 3NB7
- Type
- protein
- Length
- 177 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Penicillin-binding protein 1A
- EC
- 2.4.2.-
- UniProt
- O66874
- Pockets
- 2 · best druggability 0.54
Structure
x-ray diffraction · 1 distinct chain · 60% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Penicillin-binding protein 1A (EC 2.4.2.-) | protein | 177 | 60% helix, 1% strand | O66874 |
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 | 250 | 0.54 | 0.77 | 35 | empty |
| 2 | 60 | 0.27 | 0.73 | 11 | empty |
Compared structures
- 3NB7 · Crystal structure of Aquifex Aeolicus Peptidoglycan Glycosyltransferase in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- O66874 · AlphaFold monomer V2.0 prediction for penicillin-binding protein 1A (O66874) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 O66874
- Elsewhere: RCSB PDB 3NB7 · PDBe 3NB7 · UniProt O66874
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