MolNFT v1 · #182045 · protein
Crystal structure of trypanosoma cruzi cytosolic malic enzyme
7MF4: “Crystal structure of trypanosoma cruzi cytosolic malic enzyme”. X-ray diffraction, 8 pockets (best druggability 0.76). MolNFT v1 #182045 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7MF4
- Type
- protein
- Length
- 547 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Malic enzyme
- UniProt
- Q4DJ68
- Pockets
- 8 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Malic enzyme | protein | 547 | 50% helix, 10% strand | Q4DJ68 |
Ligands and binding sites
- CIT · Citric acid · additive · chains A
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 657 | 0.76 | 0.82 | 63 | empty |
| 2 | 91 | 0.75 | 0.96 | 23 | empty |
| 3 | 169 | 0.47 | 0.76 | 23 | empty |
| 4 | 57 | 0.40 | 0.82 | 18 | empty |
| 5 | 64 | 0.35 | 0.78 | 18 | empty |
Compared structures
- 7MF4 · Crystal structure of Trypanosoma cruzi cytosolic Malic Enzyme · 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 Q4DJ68
- Elsewhere: RCSB PDB 7MF4 · PDBe 7MF4 · UniProt Q4DJ68
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