MolNFT v1 · #146471 · protein
Crystal structure of bothropstoxin I (bthtx-I) complexed to chicoric acid
6DIK: “Crystal structure of bothropstoxin I (bthtx-I) complexed to chicoric acid”. X-ray diffraction, 3 ligands (GKP, BCT, SO4). MolNFT v1 #146471 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6DIK
- Type
- protein
- Length
- 242 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- Q90249
- Ligands
- GKP, BCT, SO4
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | — | protein | 121 | — | Q90249 |
Ligands and binding sites
- GKP · (2R,3R)-2,3-bis{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid · ligand · chains A, B
- BCT · Bicarbonate ion · ligand · chains B
- SO4 · Sulfate ion · ion · 5 copies · chains A, B
- EOH · Ethanol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6DIK · Crystal structure of Bothropstoxin I (BthTX-I) complexed to Chicoric acid · the same entry in another collection · chain A against A, TM-score 1.00
- Q90249 · AlphaFold monomer V2.0 prediction for basic phospholipase A2 homolog bothropstoxin-I… · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q90249
- Elsewhere: RCSB PDB 6DIK · PDBe 6DIK · UniProt Q90249
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