MolNFT v1 · #154586 · protein
Crystal structure of nicotinic acid mononucleotide adenylyltransferase mutant P22K/Y84V/Y118D/C132Q/W176F from escherichia COLI
6KG3 · Probable nicotinate-nucleotide adenylyltransferase: “Crystal structure of nicotinic acid mononucleotide adenylyltransferase mutant P22K/Y84V/Y118D/C132Q/W176F…”. X-ray diffraction, 18 pockets (best druggability 0.69). MolNFT v1…
- PDB
- 6KG3
- Type
- protein
- Length
- 1,257 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
- 18 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Probable nicotinate-nucleotide adenylyltransferase (EC 2.7.7.18) | protein | 213 | 40% helix, 15% strand | A0A222QGJ8 |
| D, E, F | Probable nicotinate-nucleotide adenylyltransferase (EC 2.7.7.18) | protein | 206 | 36% helix, 17% strand | A0A222QGJ8 |
Pockets
18 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 659 | 0.69 | 0.77 | 54 | empty |
| 2 | 617 | 0.69 | 0.78 | 53 | empty |
| 3 | 683 | 0.69 | 0.77 | 60 | empty |
| 4 | 602 | 0.68 | 0.77 | 53 | empty |
| 5 | 690 | 0.68 | 0.76 | 61 | empty |
Interfaces
9 interfaces between chains.
- C–F · 519 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 518 Ų buried · 6 hydrogen bonds · protein-protein
- A–D · 515 Ų buried · 2 hydrogen bonds · protein-protein
- E–F · 501 Ų buried · 3 hydrogen bonds · protein-protein
- B–D · 495 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 6KG3 · Crystal structure of Nicotinic acid mononucleotide adenylyltransferase mutant… · the same entry in another collection · chain E against E, 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 6KG3 · PDBe 6KG3 · UniProt A0A222QGJ8
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