Research workbench
Crystal structure of the isc domain of vibb in complex with isochorismate
Analyse Crystal structure of the isc domain of vibb in complex with isochorismate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3TG2
- Type
- protein
- Length
- 205 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Vibriobactin-specific isochorismatase
- EC
- 3.3.2.1
- UniProt
- P0C6D3
- Ligands
- ISC
- Pockets
- 1 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Vibriobactin-specific isochorismatase (EC 3.3.2.1) | protein | 205 | 38% helix, 19% strand | P0C6D3 |
Ligands and binding sites
- ISC · (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid · ligand · chains A
- PGE · Triethylene glycol · additive · 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 | 92 | 0.70 | 0.93 | 21 | ISC |
Compared structures
- 3TG2 · Crystal structure of the ISC domain of VibB in complex with isochorismate · the same entry in another collection · chain A against A, TM-score 1.00
- P0C6D3 · AlphaFold monomer V2.0 prediction for vibriobactin-specific isochorismatase (P0C6D3) · 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 P0C6D3
- Elsewhere: RCSB PDB 3TG2 · PDBe 3TG2 · UniProt P0C6D3
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