Research workbench
1.6A resolution apo structure of the hemophore hasa from yersinia pestis (hexagonal form)
Analyse 1.6A resolution apo structure of the hemophore hasa from yersinia pestis… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4JES
- Type
- protein
- Length
- 356 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemophore hasa
- UniProt
- Q7CL15
- Ligands
- TAM, NA
- Pockets
- 3 · best druggability 0.50
Structure
x-ray diffraction · 2 distinct chains · 27% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemophore hasa | protein | 177 | 27% helix, 34% strand | Q7CL15 |
| B | Hemophore hasa | protein | 179 | 28% helix, 37% strand | Q7CL15 |
Ligands and binding sites
- TAM · Tris(hydroxyethyl)aminomethane · ligand · chains B
- NA · Sodium ion · metal · chains B
- P6G · Hexaethylene glycol · additive · 3 copies · chains A, B
- MLI · Malonate ion · additive · 2 copies · chains A, B
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 | 127 | 0.50 | 0.80 | 19 | P6G |
| 2 | 134 | 0.48 | 0.78 | 19 | P6G |
| 3 | 178 | 0.44 | 0.74 | 38 | NA, P6G |
Interfaces
1 interface between chains.
- A–B · 583 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 4JES · 1.6A resolution Apo structure of the hemophore HasA from Yersinia pestis (Hexagonal Form) · 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 Q7CL15
- Elsewhere: RCSB PDB 4JES · PDBe 4JES · UniProt Q7CL15
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