MolNFT v1 · #94394 · protein
Crystal structure of a putative uncharacterized protein from mycobacterium tuberculosis in complex with AMP
4HVJ: “Crystal structure of a putative uncharacterized protein from mycobacterium tuberculosis in complex with AMP”. X-ray diffraction, 2 ligands (AMP, MG), 2 pockets (best druggability 0.56). MolNFT v1 #94394 on GenesisL1: 3D structure…
- PDB
- 4HVJ
- Type
- protein
- Length
- 319 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative uncharacterized protein
- UniProt
- O53513
- Ligands
- AMP, MG
- Pockets
- 2 · best druggability 0.56
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative uncharacterized protein | protein | 156 | 37% helix, 24% strand | O53513 |
| B | Putative uncharacterized protein | protein | 163 | 36% helix, 23% strand | O53513 |
Ligands and binding sites
- AMP · Adenosine monophosphate · ligand · chains A, B
- MG · Magnesium ion · metal · 2 copies · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 283 | 0.56 | 0.77 | 30 | AMP, MG |
| 2 | 295 | 0.54 | 0.75 | 36 | MG |
Interfaces
1 interface between chains.
- A–B · 1244 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 4HVJ · Crystal structure of a putative uncharacterized protein from Mycobacterium tuberculosis… · 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 O53513
- Elsewhere: RCSB PDB 4HVJ · PDBe 4HVJ · UniProt O53513
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