MolNFT v1 · #79870 · protein
Crystal structure of the isc domain of vibb in complex with isochorismate
3TG2 · Vibriobactin-specific isochorismatase: “Crystal structure of the isc domain of vibb in complex with isochorismate”. X-ray diffraction, 1 ligand (ISC), 1 pocket (best druggability 0.70). MolNFT v1 #79870 on GenesisL1: 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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