MolNFT v1 · #128118 · protein
Bartonella henselae bepa fic domain in complex with its antitoxin homologue biaa
5NH2 · Adenosine monophosphate-protein transferase: “Bartonella henselae bepa fic domain in complex with its antitoxin homologue biaa”. X-ray diffraction, 1 ligand (MG), 5 pockets (best druggability 0.68). MolNFT v1 #128118 on GenesisL1…
- PDB
- 5NH2
- Type
- protein
- Length
- 345 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenosine monophosphate-protein transferase; Uncharacterized protein
- EC
- 2.7.7.-
- UniProt
- Q6G2A9, A0A0H3LZG7
- Ligands
- MG
- Pockets
- 5 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenosine monophosphate-protein transferase (EC 2.7.7.-) | protein | 289 | 47% helix, 13% strand | Q6G2A9 |
| B | Uncharacterized protein | protein | 56 | 71% helix, 0% strand | A0A0H3LZG7 |
Ligands and binding sites
- MG · Magnesium ion · metal · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 470 | 0.68 | 0.79 | 50 | MG |
| 2 | 451 | 0.67 | 0.79 | 45 | empty |
| 3 | 51 | 0.42 | 0.83 | 16 | empty |
| 4 | 52 | 0.37 | 0.81 | 14 | empty |
| 5 | 51 | 0.34 | 0.78 | 9 | empty |
Interfaces
1 interface between chains.
- A–B · 1251 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 5NH2 · Bartonella henselae BepA Fic domain in complex with its antitoxin homologue BiaA · the same entry in another collection · chain A against A, TM-score 1.00
- Q6G2A9 · AlphaFold monomer V2.0 prediction for protein adenylyltransferase (Q6G2A9) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 Q6G2A9
- Every structure of UniProt A0A0H3LZG7
- Elsewhere: RCSB PDB 5NH2 · PDBe 5NH2 · UniProt Q6G2A9 · UniProt A0A0H3LZG7
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