MolNFT v1 · #95735 · protein
Crystal structure of dmdd E121A in complex with mta-CoA
4IZC · Enoyl-CoA HYDRATASE/ISOMERASE family protein: “Crystal structure of dmdd E121A in complex with mta-CoA”. X-ray diffraction, 1 ligand (1GZ), 5 pockets (best druggability 0.79). MolNFT v1 #95735 on GenesisL1: 3D structure, binding…
- PDB
- 4IZC
- Type
- protein
- Length
- 517 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enoyl-CoA HYDRATASE/ISOMERASE family protein
- UniProt
- Q5LLW6
- Ligands
- 1GZ
- Pockets
- 5 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 52% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enoyl-CoA HYDRATASE/ISOMERASE family protein | protein | 251 | 52% helix, 15% strand | Q5LLW6 |
| B | Enoyl-CoA HYDRATASE/ISOMERASE family protein | protein | 266 | 51% helix, 14% strand | Q5LLW6 |
Ligands and binding sites
- 1GZ · methylthioacryloyl-CoA · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 904 | 0.79 | 0.81 | 77 | empty |
| 2 | 101 | 0.58 | 0.85 | 20 | empty |
| 3 | 84 | 0.53 | 0.84 | 20 | empty |
| 4 | 171 | 0.47 | 0.76 | 28 | empty |
| 5 | 167 | 0.47 | 0.76 | 28 | empty |
Interfaces
1 interface between chains.
- A–B · 681 Ų buried · 4 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 Q5LLW6
- Elsewhere: RCSB PDB 4IZC · PDBe 4IZC · UniProt Q5LLW6
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