Research workbench
Crystal structure of the hasap L85A mutant capturing iron tetraphenylporphyrin
Analyse Crystal structure of the hasap L85A mutant capturing iron tetraphenylporphyrin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7EMS
- Type
- protein
- Length
- 549 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heme acquisition protein hasap
- UniProt
- G3XD33
- Ligands
- MQP
- Pockets
- 6 · best druggability 0.61
Structure
x-ray diffraction · 2 distinct chains · 29% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Heme acquisition protein hasap | protein | 182 | 30% helix, 36% strand | G3XD33 |
| C | Heme acquisition protein hasap | protein | 185 | 28% helix, 36% strand | G3XD33 |
Ligands and binding sites
- MQP · [5,10,15,20-tetraphenylporphyrinato(2-)-kappa~4~n~21~, n~22~,n~23~,n~24~]iron · ligand · 3 copies · chains A, B, C
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 159 | 0.61 | 0.83 | 28 | MQP |
| 2 | 159 | 0.59 | 0.82 | 28 | MQP |
| 3 | 158 | 0.58 | 0.82 | 28 | MQP |
| 4 | 210 | 0.49 | 0.76 | 31 | empty |
| 5 | 59 | 0.45 | 0.83 | 12 | empty |
Interfaces
3 interfaces between chains.
- B–C · 272 Ų buried · 3 hydrogen bonds · protein-protein
- A–B · 268 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 223 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7EMS · Crystal Structure of the HasAp L85A Mutant Capturing Iron Tetraphenylporphyrin · 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 7EMS · PDBe 7EMS · UniProt G3XD33
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