MolNFT v1 · #112181 · protein
Crystal structure of the M. tuberculosis CTP synthase pyrg in complex with two UTP molecules
4ZDJ: “Crystal structure of the M. tuberculosis CTP synthase pyrg in complex with two UTP molecules”. X-ray diffraction, 2 ligands (UTP, MG), 5 pockets (best druggability 0.75). MolNFT v1 #112181 on GenesisL1: 3D structure, binding sites…
- PDB
- 4ZDJ
- Type
- protein
- Length
- 535 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CTP synthase
- EC
- 6.3.4.2
- UniProt
- P9WHK7
- Ligands
- UTP, MG
- Pockets
- 5 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CTP synthase (EC 6.3.4.2) | protein | 535 | 41% helix, 22% strand | P9WHK7 |
Ligands and binding sites
- UTP · Uridine 5'-triphosphate · ligand · 2 copies · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 131 | 0.75 | 0.94 | 23 | GOL |
| 2 | 55 | 0.49 | 0.86 | 15 | empty |
| 3 | 202 | 0.47 | 0.75 | 25 | UTP, MG |
| 4 | 69 | 0.39 | 0.79 | 15 | empty |
| 5 | 67 | 0.30 | 0.74 | 19 | empty |
Compared structures
- 4ZDJ · Crystal structure of the M. tuberculosis CTP synthase PyrG in complex with two UTP… · the same entry in another collection · chain A against A, TM-score 1.00
- P9WHK7 · AlphaFold monomer V2.0 prediction for CTP synthase (P9WHK7) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P9WHK7
- Elsewhere: RCSB PDB 4ZDJ · PDBe 4ZDJ · UniProt P9WHK7
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.