MolNFT v1 · #12745 · protein
Solution structure of a linked shortened gramicidin a in BENZENE/ACETONE 10:1
1KQE · Mini-gramicidin a: “Solution structure of a linked shortened gramicidin a in BENZENE/ACETONE 10:1”. Solution nmr, 1 ligand (ETA). MolNFT v1 #12745 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1KQE
- Type
- protein
- Length
- 44 residues
- Chains
- 4
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mini-gramicidin a
- Ligands
- ETA
Structure
solution nmr · 1 distinct chain · 0% helix, 82% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D, E | Mini-gramicidin a | protein | 11 | 0% helix, 82% strand | — |
Ligands and binding sites
- ETA · Ethanolamine · ligand · 4 copies · chains A, E, B, D
- SIN · Succinic acid · additive · 2 copies · chains A, B, D, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Interfaces
3 interfaces between chains.
- A–E · 974 Ų buried · 31 hydrogen bonds · protein-protein
- B–D · 967 Ų buried · 24 hydrogen bonds · protein-protein
- A–D · 24 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 20 d-amino, 8 covalent (D-amino acid, additive adduct, covalent ligand).
Compared structures
- 1KQE · Solution structure of a linked shortened gramicidin A in benzene/acetone 10:1 · 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 1KQE · PDBe 1KQE
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