MolNFT v2 · #153514 · protein
Crystal structure of YfiB(W55L)
6IKI: “Crystal structure of YfiB(W55L)”. X-ray diffraction at 2.204, 1 ligand (SO4), 3 pockets (best druggability 0.60). MolNFT v2 #153514 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6IKI
- Type
- protein
- Length
- 269 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.204
- Source
- Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847…
- Molecule
- YfiB
- UniProt
- Q9I4L6
- Ligands
- SO4
- Pockets
- 3 · best druggability 0.60
Structure
x-ray diffraction · resolution 2.204 · 2 distinct chains · 46% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | YfiB | protein | 134 | 46% helix, 20% strand | Q9I4L6 |
| B | YfiB | protein | 135 | 46% helix, 22% strand | Q9I4L6 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 111 | 0.60 | 0.86 | 22 | empty |
| 2 | 126 | 0.40 | 0.75 | 17 | empty |
| 3 | 102 | 0.36 | 0.74 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 625 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 6IKI · Crystal structure of YFIB(W55L) · 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 Q9I4L6
- Elsewhere: RCSB PDB 6IKI · PDBe 6IKI · UniProt Q9I4L6
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