Research workbench
Isopropylmalate synthase binding with ketoisovalerate
Analyse Isopropylmalate synthase binding with ketoisovalerate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4OV4
- Type
- protein
- Length
- 379 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2-isopropylmalate synthase
- EC
- 2.3.3.13
- UniProt
- B0SN40
- Ligands
- KIV, ZN
- Pockets
- 4 · best druggability 0.51
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 2-isopropylmalate synthase (EC 2.3.3.13) | protein | 379 | 50% helix, 14% strand | B0SN40 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 137 | 0.51 | 0.80 | 23 | ZN, KIV |
| 2 | 145 | 0.40 | 0.74 | 27 | empty |
| 3 | 68 | 0.35 | 0.77 | 20 | empty |
| 4 | 50 | 0.25 | 0.72 | 13 | empty |
Compared structures
- 4OV4 · Isopropylmalate synthase binding with ketoisovalerate · the same entry in another collection · chain A against A, TM-score 1.00
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 B0SN40
- Elsewhere: RCSB PDB 4OV4 · PDBe 4OV4 · UniProt B0SN40
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