Research workbench
High-resolution crystal structure streptococcus pyogenes beta-NAD+ glycohydrolase in complex with its endogenous inhibitor ifs reveals a water-rich interface
Analyse High-resolution crystal structure streptococcus pyogenes beta-NAD+… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4KT6
- Type
- protein
- Length
- 830 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nicotine adenine dinucleotide glycohydrolase; Putative uncharacterized protein
- UniProt
- Q7CFI6, Q8K8S5
- Pockets
- 13 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Nicotine adenine dinucleotide glycohydrolase | protein | 254 | 43% helix, 18% strand | Q7CFI6 |
| B, D | Putative uncharacterized protein | protein | 161 | 62% helix, 0% strand | Q8K8S5 |
Pockets
13 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 385 | 0.86 | 0.94 | 47 | empty |
| 2 | 607 | 0.84 | 0.89 | 62 | empty |
| 3 | 71 | 0.74 | 0.98 | 24 | empty |
| 4 | 585 | 0.73 | 0.81 | 62 | empty |
| 5 | 71 | 0.72 | 0.97 | 24 | empty |
Interfaces
4 interfaces between chains.
- C–D · 1737 Ų buried · 31 hydrogen bonds · protein-protein
- A–B · 1700 Ų buried · 26 hydrogen bonds · protein-protein
- B–C · 666 Ų buried · 12 hydrogen bonds · protein-protein
- A–C · 183 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 4KT6 · High-resolution crystal structure Streptococcus pyogenes beta-NAD+ glycohydrolase in… · 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 Q7CFI6
- Every structure of UniProt Q8K8S5
- Elsewhere: RCSB PDB 4KT6 · PDBe 4KT6 · UniProt Q7CFI6 · UniProt Q8K8S5
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