Research workbench
Crystal structure of kemp elimination catalyst 1A53-2 complexed with transition state analog 5-nitro benzotriazole
Analyse Crystal structure of kemp elimination catalyst 1A53-2 complexed with transition… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3NZ1
- Type
- protein
- Length
- 249 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Indole-3-glycerol phosphate synthase
- EC
- 4.1.1.48
- UniProt
- Q06121
- Ligands
- 3NY, SO4
- Pockets
- 1 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Indole-3-glycerol phosphate synthase (EC 4.1.1.48) | protein | 249 | 41% helix, 16% strand | Q06121 |
Ligands and binding sites
- 3NY · 5-nitro-1H-benzotriazole · ligand · chains A
- SO4 · Sulfate ion · ion · 6 copies · chains A
- TLA · L(+)-tartaric acid · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 155 | 0.73 | 0.91 | 37 | 3NY, SO4 |
Compared structures
- 3NZ1 · Crystal Structure of Kemp Elimination Catalyst 1A53-2 Complexed with Transition State… · the same entry in another collection · chain A against A, TM-score 1.00
- Q06121 · AlphaFold monomer V2.0 prediction for indole-3-glycerol phosphate synthase (Q06121) · 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 Q06121
- Elsewhere: RCSB PDB 3NZ1 · PDBe 3NZ1 · UniProt Q06121
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