MolNFT v1 · #124397 · protein
Structure of a C-terminal fragment of the ICSA/VIRG passenger-domain
5KE1 · Outer membrane protein icsa autotransporter: “Structure of a C-terminal fragment of the ICSA/VIRG passenger-domain”. X-ray diffraction, 1 ligand (NI), 1 pocket (best druggability 0.57). MolNFT v1 #124397 on GenesisL1: 3D structure…
- PDB
- 5KE1
- Type
- protein
- Length
- 641 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Outer membrane protein icsa autotransporter
- UniProt
- Q7BCK4
- Ligands
- NI
- Pockets
- 1 · best druggability 0.57
Structure
x-ray diffraction · 2 distinct chains · 3% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Outer membrane protein icsa autotransporter | protein | 322 | 3% helix, 48% strand | Q7BCK4 |
| B | Outer membrane protein icsa autotransporter | protein | 319 | 3% helix, 47% strand | Q7BCK4 |
Ligands and binding sites
- NI · Nickel (II) ion · metal · chains 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 | 376 | 0.57 | 0.75 | 56 | empty |
Interfaces
1 interface between chains.
- A–B · 342 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 5KE1 · Structure of a C-terminal fragment of the IcsA/VirG passenger-domain · the same entry in another collection · chain A against A, TM-score 1.00
- Q7BCK4 · AlphaFold monomer V2.0 prediction for outer membrane protein icsa autotransporter (Q7BCK4) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 Q7BCK4
- Elsewhere: RCSB PDB 5KE1 · PDBe 5KE1 · UniProt Q7BCK4
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