MolNFT v1 · #67563 · protein
Crystal structure of aminobenzoyl-glutamate utilization protein from klebsiella pneumoniae
3IO1: “Crystal structure of aminobenzoyl-glutamate utilization protein from klebsiella pneumoniae”. X-ray diffraction, 2 ligands (NA, YT3), 7 pockets (best druggability 0.68). MolNFT v1 #67563 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3IO1
- Type
- protein
- Length
- 790 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aminobenzoyl-glutamate utilization protein
- UniProt
- A6T8P4
- Ligands
- NA, YT3
- Pockets
- 7 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aminobenzoyl-glutamate utilization protein | protein | 397 | 38% helix, 24% strand | A6T8P4 |
| B | Aminobenzoyl-glutamate utilization protein | protein | 393 | 38% helix, 24% strand | A6T8P4 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 533 | 0.68 | 0.78 | 54 | empty |
| 2 | 107 | 0.51 | 0.82 | 28 | empty |
| 3 | 153 | 0.45 | 0.76 | 27 | empty |
| 4 | 130 | 0.43 | 0.76 | 24 | empty |
| 5 | 165 | 0.40 | 0.73 | 29 | empty |
Interfaces
1 interface between chains.
- A–B · 1318 Ų buried · 23 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 26 modified (engineered).
Compared structures
- 3IO1 · Crystal Structure of Aminobenzoyl-glutamate utilization protein from Klebsiella pneumoniae · 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 A6T8P4
- Elsewhere: RCSB PDB 3IO1 · PDBe 3IO1 · UniProt A6T8P4
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