MolNFT v1 · #70251 · protein
Crystal structure of the ATP bound mycobacterium tuberculosis nitrogen regulatory pii protein
3LF0 · Nitrogen regulatory protein P-II: “Crystal structure of the ATP bound mycobacterium tuberculosis nitrogen regulatory pii protein”. X-ray diffraction, 1 ligand (ATP), 5 pockets (best druggability 0.75). MolNFT v1 #70251 on GenesisL1…
- PDB
- 3LF0
- Type
- protein
- Length
- 312 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nitrogen regulatory protein P-II
- UniProt
- P64249
- Ligands
- ATP
- Pockets
- 5 · best druggability 0.75
Structure
x-ray diffraction · 3 distinct chains · 30% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nitrogen regulatory protein P-II | protein | 99 | 32% helix, 40% strand | P64249 |
| B | Nitrogen regulatory protein P-II | protein | 112 | 28% helix, 46% strand | P64249 |
| C | Nitrogen regulatory protein P-II | protein | 101 | 30% helix, 40% strand | P64249 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 277 | 0.75 | 0.88 | 37 | ATP |
| 2 | 77 | 0.75 | 0.98 | 23 | empty |
| 3 | 263 | 0.74 | 0.88 | 36 | ATP |
| 4 | 239 | 0.72 | 0.87 | 34 | ATP |
| 5 | 107 | 0.38 | 0.75 | 21 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1246 Ų buried · 20 hydrogen bonds · protein-protein
- B–C · 1141 Ų buried · 20 hydrogen bonds · protein-protein
- A–B · 1095 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 3LF0 · Crystal structure of the ATP bound Mycobacterium tuberculosis nitrogen regulatory PII… · 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 P64249
- Elsewhere: RCSB PDB 3LF0 · PDBe 3LF0 · UniProt P64249
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