MolNFT v1 · #84165 · protein
Vbht fic protein from bartonella schoenbuchensis in complex with vbha antitoxin and ATP
3ZC7 · Adenosine monophosphate-protein transferase vbht: “Vbht fic protein from bartonella schoenbuchensis in complex with vbha antitoxin and ATP”. X-ray diffraction, 1 ligand (ATP), 2 pockets (best druggability 0.67). MolNFT v1 #84165 on…
- PDB
- 3ZC7
- Type
- protein
- Length
- 262 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenosine monophosphate-protein transferase vbht; Antitoxin vbha
- EC
- 2.7.7.-
- UniProt
- E6Z0R3, E6Z0R4
- Ligands
- ATP
- Pockets
- 2 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 57% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenosine monophosphate-protein transferase vbht (EC 2.7.7.-) | protein | 199 | 53% helix, 7% strand | E6Z0R3 |
| B | Antitoxin vbha | protein | 63 | 70% helix, 0% strand | E6Z0R4 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 283 | 0.67 | 0.83 | 35 | ATP |
| 2 | 96 | 0.33 | 0.74 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1631 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 3ZC7 · VbhT Fic protein from Bartonella schoenbuchensis in complex with VbhA antitoxin and ATP · the same entry in another collection · chain A against A, TM-score 1.00
- E6Z0R3 · AlphaFold monomer V2.0 prediction for protein adenylyltransferase vbht (E6Z0R3) · a predicted model of the same protein · chain A against A, TM-score 0.97
- E6Z0R4 · AlphaFold monomer V2.0 prediction for antitoxin vbha (E6Z0R4) · a predicted model of the same protein · chain B against A, TM-score 0.93
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 E6Z0R3
- Every structure of UniProt E6Z0R4
- Elsewhere: RCSB PDB 3ZC7 · PDBe 3ZC7 · UniProt E6Z0R3 · UniProt E6Z0R4
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