MolNFT v1 · #100312 · protein
Ni- and zn-bound GLOA2 at low resolution
4MTT · Lactoylglutathione lyase: “Ni- and zn-bound GLOA2 at low resolution”. X-ray diffraction, 4 ligands (TAM, ZN, NI), 5 pockets (best druggability 0.62). MolNFT v1 #100312 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4MTT
- Type
- protein
- Length
- 255 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
- TAM, ZN, NI, CL
- Pockets
- 5 · best druggability 0.62
Structure
x-ray diffraction · 2 distinct chains · 18% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lactoylglutathione lyase (EC 4.4.1.5) | protein | 128 | 16% helix, 45% strand | Q9I5L8 |
| B | Lactoylglutathione lyase (EC 4.4.1.5) | protein | 127 | 19% helix, 42% strand | Q9I5L8 |
Ligands and binding sites
- TAM · Tris(hydroxyethyl)aminomethane · ligand · chains A
- ZN · Zinc ion · metal · 2 copies · chains A, B
- NI · Nickel (II) ion · metal · chains A, B
- CL · Chloride ion · ion · chains A
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 311 | 0.62 | 0.79 | 35 | GOL |
| 2 | 50 | 0.41 | 0.83 | 21 | TAM |
| 3 | 52 | 0.41 | 0.82 | 18 | empty |
| 4 | 97 | 0.40 | 0.76 | 17 | empty |
| 5 | 98 | 0.40 | 0.77 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1911 Ų buried · 38 hydrogen bonds · protein-protein
Compared structures
- 4MTT · Ni- and Zn-bound GloA2 at low resolution · 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 4MTT · PDBe 4MTT · UniProt Q9I5L8
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