MolNFT v1 · #38222 · protein
Crystal structure of E. COLI leucine-responsive regulatory protein (lrp)
2GQQ: “Crystal structure of E. COLI leucine-responsive regulatory protein (lrp)”. X-ray diffraction, 8 pockets (best druggability 0.70). MolNFT v1 #38222 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2GQQ
- Type
- protein
- Length
- 614 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Leucine-responsive regulatory protein
- UniProt
- P0ACJ0
- Pockets
- 8 · best druggability 0.70
Structure
x-ray diffraction · 3 distinct chains · 28% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Leucine-responsive regulatory protein | protein | 153 | 24% helix, 27% strand | P0ACJ0 |
| B | Leucine-responsive regulatory protein | protein | 151 | 29% helix, 30% strand | P0ACJ0 |
| C | Leucine-responsive regulatory protein | protein | 157 | 32% helix, 27% strand | P0ACJ0 |
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 465 | 0.70 | 0.80 | 57 | empty |
| 2 | 428 | 0.68 | 0.80 | 65 | empty |
| 3 | 222 | 0.62 | 0.82 | 53 | empty |
| 4 | 162 | 0.52 | 0.79 | 27 | empty |
| 5 | 57 | 0.48 | 0.85 | 23 | empty |
Interfaces
6 interfaces between chains.
- C–D · 2766 Ų buried · 50 hydrogen bonds · protein-protein
- A–B · 2604 Ų buried · 43 hydrogen bonds · protein-protein
- A–C · 355 Ų buried · 2 hydrogen bonds · protein-protein
- A–D · 348 Ų buried · 0 hydrogen bonds · protein-protein
- B–D · 327 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 2GQQ · Crystal Structure of E. coli Leucine-responsive regulatory protein (Lrp) · the same entry in another collection · chain C against C, TM-score 1.00
- P0ACJ0 · AlphaFold monomer V2.0 prediction for leucine-responsive regulatory protein (P0ACJ0) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P0ACJ0
- Elsewhere: RCSB PDB 2GQQ · PDBe 2GQQ · UniProt P0ACJ0
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