Research workbench
Crystal structure of hasap with fe-5,15-bisethynyl-10,20- diphenylporphyrin
Analyse Crystal structure of hasap with fe-5,15-bisethynyl-10,20- diphenylporphyrin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5XKB
- Type
- protein
- Length
- 366 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heme acquisition protein hasap
- UniProt
- G3XD33
- Ligands
- WVP
- Pockets
- 3 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Heme acquisition protein hasap | protein | 184 | 29% helix, 37% strand | G3XD33 |
| B | Heme acquisition protein hasap | protein | 182 | 32% helix, 37% strand | G3XD33 |
Ligands and binding sites
- WVP · 5,15-Bisethynyl-10,20-diphenylporphyrin containing FE · ligand · 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 132 | 0.75 | 0.94 | 29 | empty |
| 2 | 314 | 0.62 | 0.79 | 30 | WVP |
| 3 | 139 | 0.52 | 0.80 | 22 | WVP |
Interfaces
1 interface between chains.
- A–B · 689 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 5XKB · Crystal Structure of HasAp with Fe-5,15-bisethynyl-10,20-diphenylporphyrin · 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 G3XD33
- Elsewhere: RCSB PDB 5XKB · PDBe 5XKB · UniProt G3XD33
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