MolNFT v1 · #107115 · protein
Structure of leptospira interrogans lrr protein LIC12759
4U09: “Structure of leptospira interrogans lrr protein LIC12759”. X-ray diffraction, 3 ligands (ZN, CL, SO4), 8 pockets (best druggability 0.80). MolNFT v1 #107115 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4U09
- Type
- protein
- Length
- 788 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- LIC12759
- UniProt
- Q72NS0
- Ligands
- ZN, CL, SO4
- Pockets
- 8 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 24% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | LIC12759 | protein | 392 | 24% helix, 13% strand | Q72NS0 |
| B | LIC12759 | protein | 396 | 24% helix, 13% strand | Q72NS0 |
Ligands and binding sites
- ZN · Zinc ion · metal · 6 copies · chains A, B
- CL · Chloride ion · ion · 4 copies · chains A, B
- SO4 · Sulfate ion · ion · chains A, B
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 3 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 371 | 0.80 | 0.89 | 47 | SO4, PEG, MES, CL |
| 2 | 191 | 0.74 | 0.91 | 38 | empty |
| 3 | 124 | 0.69 | 0.91 | 30 | empty |
| 4 | 410 | 0.67 | 0.80 | 54 | empty |
| 5 | 105 | 0.64 | 0.89 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 2504 Ų buried · 42 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (engineered).
Compared structures
- 4U09 · Structure of Leptospira interrogans LRR protein LIC12759 · 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 Q72NS0
- Elsewhere: RCSB PDB 4U09 · PDBe 4U09 · UniProt Q72NS0
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