MolNFT v1 · #71922 · protein
Crystal structure of citrate synthase from francisella tularensis
3MSU: “Crystal structure of citrate synthase from francisella tularensis”. X-ray diffraction, 4 ligands (OAA, ZN, SO4), 10 pockets (best druggability 0.73). MolNFT v1 #71922 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3MSU
- Type
- protein
- Length
- 841 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Citrate synthase
- UniProt
- Q5NIJ6
- Ligands
- OAA, ZN, SO4, CL
- Pockets
- 10 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 55% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Citrate synthase | protein | 415 | 55% helix, 11% strand | Q5NIJ6 |
| B | Citrate synthase | protein | 426 | 56% helix, 10% strand | Q5NIJ6 |
Ligands and binding sites
- OAA · Oxaloacetate ion · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 3 copies · chains A, B
- CL · Chloride ion · ion · chains A
- ACY · Acetic acid · additive · chains B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 91 | 0.73 | 0.95 | 22 | empty |
| 2 | 504 | 0.73 | 0.81 | 53 | SO4 |
| 3 | 430 | 0.65 | 0.78 | 51 | empty |
| 4 | 126 | 0.55 | 0.82 | 30 | OAA |
| 5 | 154 | 0.52 | 0.79 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 5800 Ų buried · 92 hydrogen bonds · protein-protein
Compared structures
- 3MSU · Crystal Structure of Citrate Synthase from Francisella tularensis · 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 Q5NIJ6
- Elsewhere: RCSB PDB 3MSU · PDBe 3MSU · UniProt Q5NIJ6
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.