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Crystal structure of nicotinic acid mononucleotide adenylyltransferase from bacillus anthracis
Analyse Crystal structure of nicotinic acid mononucleotide adenylyltransferase from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3DV2
- Type
- protein
- Length
- 751 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nicotinate (nicotinamide) nucleotide adenylyltransferase
- EC
- 2.7.7.18
- UniProt
- Q6HT60
- Ligands
- SO4
- Pockets
- 8 · best druggability 0.79
Structure
x-ray diffraction · 3 distinct chains · 39% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Nicotinate (nicotinamide) nucleotide adenylyltransferase (EC 2.7.7.18) | protein | 187 | 41% helix, 20% strand | Q6HT60 |
| B | Nicotinate (nicotinamide) nucleotide adenylyltransferase (EC 2.7.7.18) | protein | 188 | 36% helix, 17% strand | Q6HT60 |
| D | Nicotinate (nicotinamide) nucleotide adenylyltransferase (EC 2.7.7.18) | protein | 189 | 40% helix, 18% strand | Q6HT60 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 8 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 1158 | 0.79 | 0.80 | 120 | SO4 |
| 2 | 570 | 0.72 | 0.80 | 67 | SO4 |
| 3 | 310 | 0.65 | 0.80 | 43 | SO4 |
| 4 | 224 | 0.55 | 0.77 | 28 | empty |
| 5 | 234 | 0.54 | 0.77 | 32 | empty |
Interfaces
6 interfaces between chains.
- C–D · 944 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 939 Ų buried · 17 hydrogen bonds · protein-protein
- A–C · 532 Ų buried · 13 hydrogen bonds · protein-protein
- A–D · 306 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 263 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 3DV2 · Crystal Structure of nicotinic acid mononucleotide adenylyltransferase from Bacillus… · 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 Q6HT60
- Elsewhere: RCSB PDB 3DV2 · PDBe 3DV2 · UniProt Q6HT60
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