MolNFT v1 · #2692 · protein
Gramicidin cscl complex
1C4D · Gramicidin a: “Gramicidin cscl complex”. X-ray diffraction, 3 ligands (ETA, CS, CL). MolNFT v1 #2692 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1C4D
- Type
- protein
- Length
- 60 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gramicidin a
- Ligands
- ETA, CS, CL
Structure
x-ray diffraction · 1 distinct chain · 0% helix, 67% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Gramicidin a | protein | 15 | 0% helix, 67% strand | — |
Ligands and binding sites
- ETA · Ethanolamine · ligand · 4 copies · chains A, B, C, D
- CS · Cesium ion · metal · 8 copies · chains A, B, C, D
- CL · Chloride ion · ion · 6 copies · chains A, B, C, D
- MOH · Methanol · additive · 13 copies · chains A, B, D, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Interfaces
6 interfaces between chains.
- C–D · 1213 Ų buried · 47 hydrogen bonds · protein-protein
- A–B · 1207 Ų buried · 42 hydrogen bonds · protein-protein
- A–C · 137 Ų buried · 0 hydrogen bonds · protein-protein
- B–D · 127 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 79 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 24 d-amino, 4 covalent, 4 modified (D-amino acid, covalent ligand, nonstandard).
Compared structures
- 1C4D · Gramicidin cscl complex · 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
- Elsewhere: RCSB PDB 1C4D · PDBe 1C4D
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