Research workbench
Crystal structure of the catalytic domain of licms in complexed with malonate
Analyse Crystal structure of the catalytic domain of licms in complexed with malonate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3BLE
- Type
- protein
- Length
- 307 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Citramalate synthase from leptospira interrogans
- EC
- 2.3.3.13
- UniProt
- Q8F3Q1
- Ligands
- ZN
- Pockets
- 2 · best druggability 0.46
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Citramalate synthase from leptospira interrogans (EC 2.3.3.13) | protein | 307 | 48% helix, 15% strand | Q8F3Q1 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 87 | 0.46 | 0.81 | 15 | ZN, MLI |
| 2 | 98 | 0.38 | 0.76 | 28 | empty |
Compared structures
- 3BLE · Crystal structure of the catalytic domain of LiCMS in complexed with malonate · the same entry in another collection · chain A against A, TM-score 1.00
- Q8F3Q1 · AlphaFold monomer V2.0 prediction for (R)-citramalate synthase cima (Q8F3Q1) · 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 Q8F3Q1
- Elsewhere: RCSB PDB 3BLE · PDBe 3BLE · UniProt Q8F3Q1
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