MolNFT v1 · #154617 · protein
Crystal structure of nicotinic acid mononucleotide adenylyltransferase mutant P22K/Y84V/Y118D/C132L/W176Y from escherichia COLI
6KH2 · Probable nicotinate-nucleotide adenylyltransferase: “Crystal structure of nicotinic acid mononucleotide adenylyltransferase mutant P22K/Y84V/Y118D/C132L/W176Y…”. X-ray diffraction, 17 pockets (best druggability 0.77). MolNFT v1…
- PDB
- 6KH2
- Type
- protein
- Length
- 1,259 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable nicotinate-nucleotide adenylyltransferase
- EC
- 2.7.7.18
- UniProt
- A0A222QGJ8
- Pockets
- 17 · best druggability 0.77
Structure
x-ray diffraction · 4 distinct chains · 39% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Probable nicotinate-nucleotide adenylyltransferase (EC 2.7.7.18) | protein | 213 | 39% helix, 15% strand | A0A222QGJ8 |
| D | Probable nicotinate-nucleotide adenylyltransferase (EC 2.7.7.18) | protein | 206 | 38% helix, 15% strand | A0A222QGJ8 |
| E | Probable nicotinate-nucleotide adenylyltransferase (EC 2.7.7.18) | protein | 207 | 38% helix, 14% strand | A0A222QGJ8 |
| F | Probable nicotinate-nucleotide adenylyltransferase (EC 2.7.7.18) | protein | 207 | 39% helix, 16% strand | A0A222QGJ8 |
Pockets
17 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 974 | 0.77 | 0.79 | 60 | empty |
| 2 | 930 | 0.76 | 0.79 | 72 | empty |
| 3 | 616 | 0.74 | 0.81 | 59 | empty |
| 4 | 844 | 0.73 | 0.78 | 78 | empty |
| 5 | 644 | 0.63 | 0.73 | 57 | empty |
Interfaces
7 interfaces between chains.
- C–E · 948 Ų buried · 6 hydrogen bonds · protein-protein
- A–D · 940 Ų buried · 10 hydrogen bonds · protein-protein
- B–F · 934 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 543 Ų buried · 5 hydrogen bonds · protein-protein
- A–E · 509 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6KH2 · Crystal structure of Nicotinic acid mononucleotide adenylyltransferase mutant… · 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 A0A222QGJ8
- Elsewhere: RCSB PDB 6KH2 · PDBe 6KH2 · UniProt A0A222QGJ8
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