MolNFT v1 · #93913 · protein
Dark-state structure of appa C20S without the cys-rich region from rb. sphaeroides
4HH0 · Appa protein: “Dark-state structure of appa C20S without the cys-rich region from rb. sphaeroides”. X-ray diffraction, 2 ligands (FMN, CL), 13 pockets (best druggability 0.79). MolNFT v1 #93913 on GenesisL1: 3D structure, binding…
- PDB
- 4HH0
- Type
- protein
- Length
- 765 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Appa protein
- UniProt
- Q53119
- Ligands
- FMN, CL
- Pockets
- 13 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 52% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Appa protein | protein | 383 | 52% helix, 17% strand | Q53119 |
| B | Appa protein | protein | 382 | 52% helix, 16% strand | Q53119 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · 18 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 639 | 0.79 | 0.84 | 68 | CL |
| 2 | 562 | 0.76 | 0.83 | 63 | CL |
| 3 | 125 | 0.63 | 0.87 | 28 | CL |
| 4 | 197 | 0.62 | 0.83 | 28 | empty |
| 5 | 97 | 0.62 | 0.88 | 23 | CL |
Interfaces
1 interface between chains.
- A–B · 1164 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4HH0 · Dark-state structure of AppA C20S without the Cys-rich region from Rb. sphaeroides · 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 Q53119
- Elsewhere: RCSB PDB 4HH0 · PDBe 4HH0 · UniProt Q53119
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