MolNFT v1 · #59035 · protein
Crystal structure of the catalytic domain of licms in complexed with pyruvate and acetyl-CoA
3BLI · Citramalate synthase from leptospira interrogans: “Crystal structure of the catalytic domain of licms in complexed with pyruvate and acetyl-CoA”. X-ray diffraction, 3 ligands (ACO, PYR, ZN), 2 pockets (best druggability 0.47).…
- PDB
- 3BLI
- Type
- protein
- Length
- 311 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
- ACO, PYR, ZN
- Pockets
- 2 · best druggability 0.47
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Citramalate synthase from leptospira interrogans (EC 2.3.3.13) | protein | 311 | 46% helix, 15% strand | Q8F3Q1 |
Ligands and binding sites
- ACO · Acetyl coenzyme *A · ligand · chains A
- PYR · Pyruvic acid · ligand · chains A
- ZN · Zinc ion · metal · chains A
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 | 97 | 0.47 | 0.81 | 16 | ZN, PYR |
| 2 | 50 | 0.26 | 0.74 | 17 | empty |
Compared structures
- 3BLI · Crystal structure of the catalytic domain of LiCMS in complexed with pyruvate and… · 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 3BLI · PDBe 3BLI · UniProt Q8F3Q1
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