MolNFT v1 · #145272 · protein
Crystal structure of protein cite from mycobacterium tuberculosis in complex with magnesium and pyruvate
6CJ3 · Citrate lyase subunit beta-like protein: “Crystal structure of protein cite from mycobacterium tuberculosis in complex with magnesium and pyruvate”. X-ray diffraction, 2 ligands (PYR, MG), 3 pockets (best druggability 0.51). MolNFT…
- PDB
- 6CJ3
- Type
- protein
- Length
- 239 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Citrate lyase subunit beta-like protein
- EC
- 4.1.-.-
- UniProt
- P9WPE0
- Ligands
- PYR, MG
- Pockets
- 3 · best druggability 0.51
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Citrate lyase subunit beta-like protein (EC 4.1.-.-) | protein | 239 | 47% helix, 17% strand | P9WPE0 |
Ligands and binding sites
- PYR · Pyruvic acid · ligand · 2 copies · chains A
- MG · Magnesium ion · metal · chains A
- ACT · Acetate ion · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 174 | 0.51 | 0.78 | 30 | MG, ACT, PYR |
| 2 | 72 | 0.28 | 0.72 | 11 | empty |
| 3 | 51 | 0.25 | 0.73 | 13 | empty |
Compared structures
- 6CJ3 · Crystal structure of protein cite from mycobacterium tuberculosis in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- P9WPE0 · AlphaFold monomer V2.0 prediction for citrate lyase subunit beta-like protein (P9WPE0) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P9WPE0
- Elsewhere: RCSB PDB 6CJ3 · PDBe 6CJ3 · UniProt P9WPE0
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