MolNFT v1 · #155777 · protein
Crystal structure of apo-mcr-1-S
6LI5 · Probable phosphatidylethanolamine transferase mcr-1: “Crystal structure of apo-mcr-1-S”. X-ray diffraction, 4 pockets (best druggability 0.66). MolNFT v1 #155777 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6LI5
- Type
- protein
- Length
- 646 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable phosphatidylethanolamine transferase mcr-1
- EC
- 2.7.-.-
- UniProt
- A0A0R6L508
- Pockets
- 4 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Probable phosphatidylethanolamine transferase mcr-1 (EC 2.7.-.-) | protein | 323 | 32% helix, 17% strand | A0A0R6L508 |
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 649 | 0.66 | 0.76 | 77 | empty |
| 2 | 51 | 0.56 | 0.91 | 22 | empty |
| 3 | 52 | 0.56 | 0.90 | 22 | empty |
| 4 | 75 | 0.32 | 0.75 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 425 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide, 2 modified (disulfide, phosphorylation).
Compared structures
- 6LI5 · Crystal structure of apo-MCR-1-S · 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 6LI5 · PDBe 6LI5 · UniProt A0A0R6L508
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