MolNFT v1 · #21625 · protein
Crystal structure of citrate lyase beta subunit
1SGJ · Citrate lyase, beta subunit: “Crystal structure of citrate lyase beta subunit”. X-ray diffraction, 2 ligands (OAA, MG), 7 pockets (best druggability 0.55). MolNFT v1 #21625 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 1SGJ
- Type
- protein
- Length
- 693 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Citrate lyase, beta subunit
- UniProt
- Q9RUZ0
- Ligands
- OAA, MG
- Pockets
- 7 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Citrate lyase, beta subunit | protein | 231 | 45% helix, 17% strand | Q9RUZ0 |
Ligands and binding sites
- OAA · Oxaloacetate ion · ligand · 3 copies · chains A, B, C
- MG · Magnesium ion · metal · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 230 | 0.55 | 0.78 | 25 | empty |
| 2 | 173 | 0.51 | 0.78 | 26 | OAA, MG |
| 3 | 156 | 0.50 | 0.78 | 28 | OAA, MG |
| 4 | 128 | 0.48 | 0.78 | 19 | OAA, MG |
| 5 | 65 | 0.30 | 0.74 | 18 | empty |
Interfaces
3 interfaces between chains.
- A–C · 748 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 741 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 723 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
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 Q9RUZ0
- Elsewhere: RCSB PDB 1SGJ · PDBe 1SGJ · UniProt Q9RUZ0
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