MolNFT v1 · #12231 · protein
Structure of bacillus subtilis nicotinic acid mononucleotide adenylyl transferase
1KAM · Nicotinate-nucleotide adenylyltransferase: “Structure of bacillus subtilis nicotinic acid mononucleotide adenylyl transferase”. X-ray diffraction, 8 pockets (best druggability 0.82). MolNFT v1 #12231 on GenesisL1: 3D structure…
- PDB
- 1KAM
- Type
- protein
- Length
- 708 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nicotinate-nucleotide adenylyltransferase
- EC
- 2.7.7.18
- UniProt
- P54455
- Pockets
- 8 · best druggability 0.82
Structure
x-ray diffraction · 4 distinct chains · 34% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nicotinate-nucleotide adenylyltransferase (EC 2.7.7.18) | protein | 180 | 37% helix, 19% strand | P54455 |
| B | Nicotinate-nucleotide adenylyltransferase (EC 2.7.7.18) | protein | 175 | 31% helix, 22% strand | P54455 |
| C | Nicotinate-nucleotide adenylyltransferase (EC 2.7.7.18) | protein | 179 | 37% helix, 19% strand | P54455 |
| D | Nicotinate-nucleotide adenylyltransferase (EC 2.7.7.18) | protein | 174 | 31% helix, 22% strand | P54455 |
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 556 | 0.82 | 0.87 | 84 | empty |
| 2 | 409 | 0.81 | 0.90 | 48 | empty |
| 3 | 137 | 0.79 | 0.97 | 26 | empty |
| 4 | 309 | 0.58 | 0.77 | 30 | empty |
| 5 | 304 | 0.58 | 0.77 | 30 | empty |
Interfaces
5 interfaces between chains.
- A–D · 2043 Ų buried · 31 hydrogen bonds · protein-protein
- B–C · 1972 Ų buried · 31 hydrogen bonds · protein-protein
- C–D · 1012 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 970 Ų buried · 13 hydrogen bonds · protein-protein
- A–C · 34 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1KAM · Structure of Bacillus subtilis Nicotinic Acid Mononucleotide Adenylyl Transferase · the same entry in another collection · chain D against D, TM-score 1.00
- P54455 · AlphaFold monomer V2.0 prediction for nicotinate-nucleotide adenylyltransferase (P54455) · a predicted model of the same protein · chain A against A, TM-score 0.91
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 P54455
- Elsewhere: RCSB PDB 1KAM · PDBe 1KAM · UniProt P54455
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