MolNFT v1 · #190310 · protein
Human glyoxalase I (with C-ter his tag) in complex with TLSC702
7WT0 · Lactoylglutathione lyase: “Human glyoxalase I (with C-ter his tag) in complex with TLSC702”. X-ray diffraction, 2 ligands (5ZO, ZN), 4 pockets (best druggability 0.65). MolNFT v1 #190310 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7WT0
- Type
- protein
- Length
- 368 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lactoylglutathione lyase
- EC
- 4.4.1.5
- UniProt
- Q04760
- Ligands
- 5ZO, ZN
- Pockets
- 4 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 28% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lactoylglutathione lyase (EC 4.4.1.5) | protein | 185 | 29% helix, 26% strand | Q04760 |
| B | Lactoylglutathione lyase (EC 4.4.1.5) | protein | 183 | 28% helix, 27% strand | Q04760 |
Ligands and binding sites
- 5ZO · (~{E})-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl) but-3-enoic acid · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 317 | 0.65 | 0.80 | 34 | 5ZO |
| 2 | 290 | 0.64 | 0.80 | 32 | 5ZO |
| 3 | 203 | 0.47 | 0.74 | 35 | empty |
| 4 | 179 | 0.45 | 0.75 | 29 | empty |
Interfaces
1 interface between chains.
- A–B · 3787 Ų buried · 50 hydrogen bonds · protein-protein
Compared structures
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 Q04760
- Elsewhere: RCSB PDB 7WT0 · PDBe 7WT0 · UniProt Q04760
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