Research workbench
Crystal structure of hasap with co-9,10,19,20-tetraphenylporphycene
Analyse Crystal structure of hasap with co-9,10,19,20-tetraphenylporphycene in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6JLG
- Type
- protein
- Length
- 1,444 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heme acquisition protein hasa
- UniProt
- A0A069Q9Z5
- Ligands
- BWU, PO4
- Pockets
- 12 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D, E, F, G, H | Heme acquisition protein hasa | protein | 181 | 32% helix, 38% strand | A0A069Q9Z5 |
| C | Heme acquisition protein hasa | protein | 177 | 29% helix, 38% strand | A0A069Q9Z5 |
Ligands and binding sites
- BWU · Tetraphenylporphycene contating cobalt · ligand · 8 copies · chains A, C, E, B, D, G, H, F
- PO4 · Phosphate ion · ion · 2 copies · chains D, E, C, G
- GOL · Glycerol · additive · 9 copies · chains A, B, D, E, G, C, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 923 | 0.86 | 0.88 | 94 | BWU, PO4, GOL |
| 2 | 867 | 0.85 | 0.87 | 93 | BWU, GOL |
| 3 | 585 | 0.85 | 0.90 | 72 | BWU, GOL |
| 4 | 449 | 0.83 | 0.90 | 63 | GOL, BWU |
| 5 | 108 | 0.65 | 0.89 | 24 | BWU |
Interfaces
16 interfaces between chains.
- B–G · 487 Ų buried · 16 hydrogen bonds · protein-protein
- A–E · 479 Ų buried · 16 hydrogen bonds · protein-protein
- C–F · 472 Ų buried · 14 hydrogen bonds · protein-protein
- D–H · 469 Ų buried · 13 hydrogen bonds · protein-protein
- B–E · 418 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6JLG · Crystal Structure of HasAp with Co-9,10,19,20-Tetraphenylporphycene · 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 A0A069Q9Z5
- Elsewhere: RCSB PDB 6JLG · PDBe 6JLG · UniProt A0A069Q9Z5
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