MolNFT v1 · #8998 · protein
Deglucobalhimycin in complex with D-ala-D-ala
1HHY: “Deglucobalhimycin in complex with D-ala-D-ala”. X-ray diffraction, 2 ligands (DVC, NA). MolNFT v1 #8998 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1HHY
- Type
- protein
- Length
- 18 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Deglucobalhimycin
- Ligands
- DVC, NA
Structure
x-ray diffraction · 1 distinct chain · 0% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Deglucobalhimycin | protein | 9 | 0% helix, 11% strand | — |
Ligands and binding sites
- DVC · (2R,4S,6S)-4-azanyl-4,6-dimethyl-oxane-2,5,5-triol · ligand · 2 copies · chains A, B
- NA · Sodium ion · metal · 2 copies · chains A, B
- PGO · S-1,2-propanediol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Interfaces
1 interface between chains.
- A–B · 194 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified, 4 d-amino, 2 covalent (nonstandard, D-amino acid, covalent ligand).
Compared structures
- 1HHY · Deglucobalhimycin in complex with D-Ala-D-Ala · 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 1HHY · PDBe 1HHY
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