MolNFT v1 · #122137 · protein
Crystal structure of a marine metagenome trap solute binding protein specific for aromatic acid ligands (sorcerer II global ocean sampling expedition, unidentified microbe, locus tag GOS_1523157, triple surface mutant K158A_K223A_K313A) in complex with co-purified parahydroxybenzoate
5IGA · Trap transporter solute binding protein: “Crystal structure of a marine metagenome trap solute binding protein specific for aromatic acid ligands…”. X-ray diffraction, 1 ligand (PHB), 2 pockets (best druggability 0.52). MolNFT v1…
- PDB
- 5IGA
- Type
- protein
- Length
- 320 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Trap transporter solute binding protein
- Ligands
- PHB
- Pockets
- 2 · best druggability 0.52
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Trap transporter solute binding protein | protein | 320 | 52% helix, 18% strand | — |
Ligands and binding sites
- PHB · P-hydroxybenzoic acid · ligand · chains A
- PEG · Di(hydroxyethyl)ether · additive · 5 copies · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 88 | 0.52 | 0.84 | 23 | empty |
| 2 | 71 | 0.28 | 0.72 | 20 | PEG |
Modifications
Observed in the structure: 13 modified (engineered).
Compared structures
- 5IGA · Crystal structure of a marine metagenome TRAP solute binding protein specific for… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 5IGA · PDBe 5IGA
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.