MolNFT v1 · #145094 · protein
High-resolution crystal structure of fluoropropylated cystine knot, binding to alpha-5 beta-6 integrin
6CDX · Cystine knot (fluoropropylated): “High-resolution crystal structure of fluoropropylated cystine knot, binding to alpha-5 beta-6 integrin”. X-ray diffraction, 1 ligand (4LT). MolNFT v1 #145094 on GenesisL1: 3D structure, binding…
- PDB
- 6CDX
- Type
- protein
- Length
- 72 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cystine knot (fluoropropylated)
- UniProt
- P82408
- Ligands
- 4LT
Structure
x-ray diffraction · 1 distinct chain · 19% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Cystine knot (fluoropropylated) | protein | 36 | 19% helix, 14% strand | P82408 |
Ligands and binding sites
- 4LT · (2R)-2-fluoropropanoic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Interfaces
1 interface between chains.
- A–B · 303 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide, 1 covalent (disulfide, covalent ligand).
Compared structures
- 6CDX · High-resolution crystal structure of fluoropropylated cystine knot, binding to alpha-5… · the same entry in another collection · chain A against A, TM-score 1.00
- P82408 · AlphaFold monomer V2.0 prediction for trypsin inhibitor 1 (P82408) · a predicted model of the same protein · chain A against A, TM-score 0.64
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 P82408
- Elsewhere: RCSB PDB 6CDX · PDBe 6CDX · UniProt P82408
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