MolNFT v1 · #16204 · protein
Crystal structure of the iibsor domain of the sorbose permease from klebsiella pneumoniae solved to 1.75A resolution
1NRZ · Pts system, sorbose-specific iib component: “Crystal structure of the iibsor domain of the sorbose permease from klebsiella pneumoniae solved to 1.75A…”. X-ray diffraction, 1 ligand (SO4), 5 pockets (best druggability 0.82). MolNFT…
- PDB
- 1NRZ
- Type
- protein
- Length
- 652 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pts system, sorbose-specific iib component
- EC
- 2.7.1.69
- UniProt
- P37081
- Ligands
- SO4
- Pockets
- 5 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Pts system, sorbose-specific iib component (EC 2.7.1.69) | protein | 163 | 37% helix, 26% strand | P37081 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1065 | 0.82 | 0.83 | 103 | SO4 |
| 2 | 779 | 0.76 | 0.80 | 80 | SO4 |
| 3 | 51 | 0.35 | 0.79 | 14 | empty |
| 4 | 51 | 0.27 | 0.74 | 11 | empty |
| 5 | 50 | 0.25 | 0.73 | 13 | empty |
Interfaces
5 interfaces between chains.
- A–B · 804 Ų buried · 9 hydrogen bonds · protein-protein
- C–D · 749 Ų buried · 6 hydrogen bonds · protein-protein
- B–D · 274 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 271 Ų buried · 1 hydrogen bond · protein-protein
- A–D · 71 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1NRZ · Crystal structure of the IIBSor domain of the sorbose permease from Klebsiella pneumoniae… · the same entry in another collection · chain A against A, TM-score 1.00
- P37081 · AlphaFold monomer V2.0 prediction for pts system sorbose-specific eiib component (P37081) · 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 P37081
- Elsewhere: RCSB PDB 1NRZ · PDBe 1NRZ · UniProt P37081
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