Research workbench
Crystal structure of mcr-1-S
Analyse Crystal structure of mcr-1-S in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6LI4
- Type
- protein
- Length
- 651 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
- Ligands
- ZN
- Pockets
- 3 · best druggability 0.61
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable phosphatidylethanolamine transferase mcr-1 (EC 2.7.-.-) | protein | 325 | 32% helix, 18% strand | A0A0R6L508 |
| B | Probable phosphatidylethanolamine transferase mcr-1 (EC 2.7.-.-) | protein | 326 | 30% helix, 17% strand | A0A0R6L508 |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 431 | 0.61 | 0.76 | 60 | empty |
| 2 | 59 | 0.58 | 0.90 | 21 | empty |
| 3 | 62 | 0.28 | 0.73 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 414 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide, 2 modified (disulfide, phosphorylation).
Compared structures
- 6LI4 · Crystal structure of 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 6LI4 · PDBe 6LI4 · UniProt A0A0R6L508
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