Research workbench
Crystal structure of ipea-xxxg complex
Analyse Crystal structure of ipea-xxxg complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7EAP
- Type
- protein
- Length
- 755 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- FN3_LIKE domain-containing protein
- UniProt
- Q2U8V9
- Ligands
- NAG, BGC, XYS, CA
- Pockets
- 5 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | FN3_LIKE domain-containing protein | protein | 755 | 32% helix, 20% strand | Q2U8V9 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 8 copies · chains A
- BGC · beta-D-glucopyranose · sugar · 5 copies · chains A
- XYS · alpha-D-xylopyranose · sugar · 4 copies · chains A
- CA · Calcium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 460 | 0.72 | 0.82 | 54 | empty |
| 2 | 92 | 0.54 | 0.85 | 19 | empty |
| 3 | 200 | 0.54 | 0.78 | 35 | BGC, XYS |
| 4 | 61 | 0.33 | 0.77 | 23 | BGC, XYS |
| 5 | 52 | 0.24 | 0.72 | 10 | empty |
Modifications
Observed in the structure: 7 glycan, 1 disulfide (N-glycosylation, disulfide).
Compared structures
- 7EAP · Crystal structure of IpeA-XXXG complex · 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 Q2U8V9
- Elsewhere: RCSB PDB 7EAP · PDBe 7EAP · UniProt Q2U8V9
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