MolNFT v1 · #100309 · protein
Ni-bound GLOA2
4MTQ · Lactoylglutathione lyase: “Ni-bound GLOA2”. X-ray diffraction, 1 ligand (NI), 3 pockets (best druggability 0.47). MolNFT v1 #100309 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4MTQ
- Type
- protein
- Length
- 246 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lactoylglutathione lyase
- EC
- 4.4.1.5
- UniProt
- Q9I5L8
- Ligands
- NI
- Pockets
- 3 · best druggability 0.47
Structure
x-ray diffraction · 2 distinct chains · 17% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lactoylglutathione lyase (EC 4.4.1.5) | protein | 118 | 19% helix, 42% strand | Q9I5L8 |
| B | Lactoylglutathione lyase (EC 4.4.1.5) | protein | 128 | 16% helix, 41% strand | Q9I5L8 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 68 | 0.47 | 0.83 | 22 | empty |
| 2 | 124 | 0.41 | 0.75 | 28 | empty |
| 3 | 89 | 0.35 | 0.75 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1687 Ų buried · 44 hydrogen bonds · protein-protein
Compared structures
- 4MTQ · Ni-bound GloA2 · 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 Q9I5L8
- Elsewhere: RCSB PDB 4MTQ · PDBe 4MTQ · UniProt Q9I5L8
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