Research workbench
Crystal structure of protein cite from mycobacterium tuberculosis in complex with magnesium and acetoacetate
Analyse Crystal structure of protein cite from mycobacterium tuberculosis in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6CJ4
- 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
- AAE, MG
- Pockets
- 3 · best druggability 0.48
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Citrate lyase subunit beta-like protein (EC 4.1.-.-) | protein | 239 | 46% helix, 17% strand | P9WPE0 |
Ligands and binding sites
- AAE · Acetoacetic acid · ligand · chains A
- MG · Magnesium ion · metal · chains A
- ACT · Acetate ion · additive · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 121 | 0.48 | 0.79 | 21 | MG, ACT, AAE |
| 2 | 58 | 0.28 | 0.74 | 15 | empty |
| 3 | 57 | 0.27 | 0.74 | 12 | empty |
Compared structures
- 6CJ4 · 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 6CJ4 · PDBe 6CJ4 · UniProt P9WPE0
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