MolNFT v1 · #79696 · protein
Crystal structure of a putative guanylate monophosphaste kinase from listeria monocytogenes egd-E
3TAU · Guanylate kinase: “Crystal structure of a putative guanylate monophosphaste kinase from listeria monocytogenes egd-E”. X-ray diffraction, 2 ligands (NA, SO4), 4 pockets (best druggability 0.57). MolNFT v1 #79696 on GenesisL1: 3D…
- PDB
- 3TAU
- Type
- protein
- Length
- 376 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Guanylate kinase
- EC
- 2.7.4.8
- UniProt
- Q8Y672
- Ligands
- NA, SO4
- Pockets
- 4 · best druggability 0.57
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Guanylate kinase (EC 2.7.4.8) | protein | 193 | 44% helix, 21% strand | Q8Y672 |
| B | Guanylate kinase (EC 2.7.4.8) | protein | 183 | 45% helix, 22% strand | Q8Y672 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 373 | 0.57 | 0.75 | 52 | empty |
| 2 | 128 | 0.43 | 0.76 | 23 | SO4 |
| 3 | 99 | 0.34 | 0.73 | 18 | empty |
| 4 | 56 | 0.31 | 0.76 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1357 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 17 modified (engineered).
Compared structures
- 3TAU · Crystal Structure of a Putative Guanylate Monophosphaste Kinase from Listeria… · the same entry in another collection · chain A against A, TM-score 1.00
- Q8Y672 · AlphaFold monomer V2.0 prediction for guanylate kinase (Q8Y672) · a predicted model of the same protein · chain B against A, TM-score 0.92
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 Q8Y672
- Elsewhere: RCSB PDB 3TAU · PDBe 3TAU · UniProt Q8Y672
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