MolNFT v1 · #64035 · protein
The 2.25 a crystal structure of LIPL32, the major surface antigen of leptospira interrogans serovar copenhageni
3FRL: “The 2.25 a crystal structure of LIPL32, the major surface antigen of leptospira interrogans serovar…”. X-ray diffraction, 3 ligands (OXL, 211, CL), 6 pockets (best druggability 0.79). MolNFT v1 #64035 on GenesisL1: 3D structure…
- PDB
- 3FRL
- Type
- protein
- Length
- 463 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- LIPL32
- UniProt
- Q72SM7
- Ligands
- OXL, 211, CL
- Pockets
- 6 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 17% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | LIPL32 | protein | 231 | 17% helix, 39% strand | Q72SM7 |
| B | LIPL32 | protein | 232 | 16% helix, 38% strand | Q72SM7 |
Ligands and binding sites
- OXL · Oxalate ion · ligand · 2 copies · chains A, B
- 211 · 2,2',2''-nitrilotriethanol · ligand · chains A
- CL · Chloride ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 123 | 0.79 | 0.97 | 25 | empty |
| 2 | 755 | 0.68 | 0.75 | 68 | empty |
| 3 | 92 | 0.48 | 0.81 | 18 | OXL |
| 4 | 55 | 0.37 | 0.80 | 15 | OXL |
| 5 | 52 | 0.37 | 0.80 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1173 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 3FRL · The 2.25 A crystal structure of LipL32, the major surface antigen of Leptospira… · 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 Q72SM7
- Elsewhere: RCSB PDB 3FRL · PDBe 3FRL · UniProt Q72SM7
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