MolNFT v1 · #101427 · protein
The reduced form of MJ0499
4NQY · ISOPROPYLMALATE/CITRAMALATE isomerase large subunit: “The reduced form of MJ0499”. X-ray diffraction, 1 ligand (ZN), 11 pockets (best druggability 0.77). MolNFT v1 #101427 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4NQY
- Type
- protein
- Length
- 818 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ISOPROPYLMALATE/CITRAMALATE isomerase large subunit
- EC
- 4.2.1.33, 4.2.1.35, 4.2.1.31
- UniProt
- P81291
- Ligands
- ZN
- Pockets
- 11 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | ISOPROPYLMALATE/CITRAMALATE isomerase large subunit (EC 4.2.1.33, 4.2.1.35, 4.2.1.31) | protein | 409 | 36% helix, 19% strand | P81291 |
Ligands and binding sites
- ZN · Zinc ion · metal · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 975 | 0.77 | 0.79 | 94 | empty |
| 2 | 328 | 0.53 | 0.74 | 35 | empty |
| 3 | 152 | 0.46 | 0.76 | 20 | empty |
| 4 | 150 | 0.46 | 0.77 | 21 | empty |
| 5 | 68 | 0.36 | 0.78 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 607 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
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 P81291
- Elsewhere: RCSB PDB 4NQY · PDBe 4NQY · UniProt P81291
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.