MolNFT v1 · #140773 · protein
Mcr-1 complex with ethanolamine (eta)
5YLE · Probable phosphatidylethanolamine transferase mcr-1: “Mcr-1 complex with ethanolamine (eta)”. X-ray diffraction, 2 ligands (ETA, ZN), 2 pockets (best druggability 0.55). MolNFT v1 #140773 on GenesisL1: 3D structure, binding sites…
- PDB
- 5YLE
- Type
- protein
- Length
- 331 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable phosphatidylethanolamine transferase mcr-1
- EC
- 2.7.-.-
- UniProt
- A0A0R6L508
- Ligands
- ETA, ZN
- Pockets
- 2 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable phosphatidylethanolamine transferase mcr-1 (EC 2.7.-.-) | protein | 331 | 31% helix, 17% strand | A0A0R6L508 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 68 | 0.55 | 0.87 | 22 | empty |
| 2 | 67 | 0.31 | 0.75 | 15 | empty |
Modifications
Observed in the structure: 2 disulfide, 1 modified (disulfide, phosphorylation).
Compared structures
- 5YLE · MCR-1 complex with ethanolamine (ETA) · 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 A0A0R6L508
- Elsewhere: RCSB PDB 5YLE · PDBe 5YLE · UniProt A0A0R6L508
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