MolNFT v1 · #180753 · protein
Structure of human GGT1 in complex with LNT1-172 compound.
7LA5 · Glutathione hydrolase 1 heavy chain: “Structure of human GGT1 in complex with LNT1-172 compound.”. X-ray diffraction, 3 ligands (XSM, NAG, CL), 4 pockets (best druggability 0.76). MolNFT v1 #180753 on GenesisL1: 3D structure…
- PDB
- 7LA5
- Type
- protein
- Length
- 532 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione hydrolase 1 heavy chain; Glutathione hydrolase 1 light chain
- EC
- 3.4.19.13, 2.3.2.2, 3.4.19.14
- UniProt
- P19440
- Ligands
- XSM, NAG, CL
- Pockets
- 4 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione hydrolase 1 heavy chain (EC 3.4.19.13, 2.3.2.2, 3.4.19.14) | protein | 343 | 49% helix, 13% strand | P19440 |
| B | Glutathione hydrolase 1 light chain (EC 3.4.19.13, 2.3.2.2, 3.4.19.14) | protein | 189 | 19% helix, 29% strand | P19440 |
Ligands and binding sites
- XSM · (2R)-4-borono-2-{[(1H-imidazol-4-yl) methyl]amino}butanoic acid · ligand · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 5 copies · chains A, B
- CL · Chloride ion · ion · chains A, B
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 515 | 0.76 | 0.84 | 74 | EPE, XSM |
| 2 | 82 | 0.39 | 0.78 | 20 | empty |
| 3 | 75 | 0.35 | 0.76 | 18 | empty |
| 4 | 58 | 0.32 | 0.76 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 6201 Ų buried · 103 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 glycan, 2 disulfide, 1 covalent (N-glycosylation, disulfide, covalent ligand).
Compared structures
- 7LA5 · Structure of human GGT1 in complex with Lnt1-172 compound. · the same entry in another collection · chain A against A, TM-score 1.00
- P19440 · AlphaFold monomer V2.0 prediction for glutathione hydrolase 1 proenzyme (P19440) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P19440
- Elsewhere: RCSB PDB 7LA5 · PDBe 7LA5 · UniProt P19440
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