Research workbench
Crystal structure of the lectin domain of papg from E. COLI BI47 in complex with 4-methoxyphenyl beta-D-galabiose in space group P212121
Analyse Crystal structure of the lectin domain of papg from E. COLI BI47 in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4Z3G
- Type
- protein
- Length
- 396 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Papg, lectin domain
- UniProt
- T7DCJ2
- Ligands
- 4KS, GAL, GLA
- Pockets
- 1 · best druggability 0.50
Structure
x-ray diffraction · 1 distinct chain · 2% helix, 58% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Papg, lectin domain | protein | 198 | 2% helix, 58% strand | T7DCJ2 |
Ligands and binding sites
- 4KS · 4-methoxyphenol · ligand · 2 copies · chains A, B
- GAL · beta-D-galactopyranose · sugar · 2 copies · chains A, B
- GLA · alpha-D-galactopyranose · sugar · 2 copies · chains A, B
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 2 copies · chains A, B
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 | 202 | 0.50 | 0.76 | 30 | empty |
Interfaces
1 interface between chains.
- A–B · 365 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4Z3G · Crystal structure of the lectin domain of PapG from E. coli BI47 in complex with… · 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
- Every structure of UniProt T7DCJ2
- Elsewhere: RCSB PDB 4Z3G · PDBe 4Z3G · UniProt T7DCJ2
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