MolNFT v1 · #70694 · protein
Crystal structure of an S-formylglutathione hydrolase from pseudoalteromonas haloplanktis TAC125
3LS2: “Crystal structure of an S-formylglutathione hydrolase from pseudoalteromonas haloplanktis TAC125”. X-ray diffraction, 1 ligand (CL), 3 pockets (best druggability 0.64). MolNFT v1 #70694 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3LS2
- Type
- protein
- Length
- 1,112 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- S-formylglutathione hydrolase
- EC
- 3.1.1.-
- UniProt
- Q3IL66
- Ligands
- CL
- Pockets
- 3 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | S-formylglutathione hydrolase (EC 3.1.1.-) | protein | 278 | 38% helix, 24% strand | Q3IL66 |
Ligands and binding sites
- CL · Chloride 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
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 332 | 0.64 | 0.80 | 64 | empty |
| 2 | 305 | 0.64 | 0.80 | 63 | empty |
| 3 | 487 | 0.61 | 0.75 | 50 | empty |
Interfaces
4 interfaces between chains.
- A–B · 920 Ų buried · 10 hydrogen bonds · protein-protein
- C–D · 911 Ų buried · 9 hydrogen bonds · protein-protein
- B–D · 150 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 95 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 3LS2 · Crystal structure of an S-formylglutathione hydrolase from Pseudoalteromonas haloplanktis… · 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 Q3IL66
- Elsewhere: RCSB PDB 3LS2 · PDBe 3LS2 · UniProt Q3IL66
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