Browse entries in the PDBbind-CN Database

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Related entries of code: 6i78
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1kjrRCSB PDB    PDBbind146aa, >1KJR_1|Chain... at 99%
2nn8RCSB PDB    PDBbind138aa, >2NN8_1|Chain... at 100%
2xg3RCSB PDB    PDBbind138aa, >2XG3_1|Chain... at 99%
3ayaRCSB PDB    PDBbind135aa, >3AYA_1|Chains... at 99%
3aycRCSB PDB    PDBbind135aa, >3AYC_1|Chains... at 99%
3aydRCSB PDB    PDBbind135aa, >3AYD_1|Chain... at 99%
3t1lRCSB PDB    PDBbind143aa, >3T1L_1|Chain... at 100%
3t1mRCSB PDB    PDBbind143aa, >3T1M_1|Chain... at 100%
4jc1RCSB PDB    PDBbind143aa, >4JC1_1|Chain... at 100%
4jckRCSB PDB    PDBbind143aa, >4JCK_1|Chain... at 100%
4lblRCSB PDB    PDBbind138aa, >4LBL_1|Chain... at 98%
4lboRCSB PDB    PDBbind138aa, >4LBO_1|Chain... at 100%
5e88RCSB PDB    PDBbind139aa, >5E88_1|Chain... at 100%
5e89RCSB PDB    PDBbind139aa, >5E89_1|Chain... at 100%
5e8aRCSB PDB    PDBbind139aa, >5E8A_1|Chain... at 100%
5nf9RCSB PDB    PDBbind147aa, >5NF9_1|Chain... at 100%
5nfaRCSB PDB    PDBbind147aa, >5NFA_1|Chain... at 100%
5nfbRCSB PDB    PDBbind176aa, >5NFB_1|Chain... *
5oaxRCSB PDB    PDBbind138aa, >5OAX_1|Chain... at 99%
5odyRCSB PDB    PDBbind138aa, >5ODY_1|Chain... at 100%
6eogRCSB PDB    PDBbind138aa, >6EOG_1|Chain... at 99%
6eolRCSB PDB    PDBbind138aa, >6EOL_1|Chain... at 99%
6g0vRCSB PDB    PDBbind138aa, >6G0V_1|Chain... at 99%
6qluRCSB PDB    PDBbind138aa, >6QLU_1|Chain... at 100%
6qltRCSB PDB    PDBbind138aa, >6QLT_1|Chain... at 100%
6qlsRCSB PDB    PDBbind138aa, >6QLS_1|Chain... at 100%
6qlrRCSB PDB    PDBbind138aa, >6QLR_1|Chain... at 100%
6qlqRCSB PDB    PDBbind138aa, >6QLQ_1|Chain... at 100%
6qlpRCSB PDB    PDBbind138aa, >6QLP_1|Chain... at 100%
6qloRCSB PDB    PDBbind138aa, >6QLO_1|Chain... at 100%
6qlnRCSB PDB    PDBbind138aa, >6QLN_1|Chain... at 100%
6qgeRCSB PDB    PDBbind138aa, >6QGE_1|Chain... at 100%
6qgfRCSB PDB    PDBbind138aa, >6QGF_1|Chain... at 100%
6i77RCSB PDB    PDBbind138aa, >6I77_1|Chain... at 100%
6i76RCSB PDB    PDBbind138aa, >6I76_1|Chain... at 100%
6i75RCSB PDB    PDBbind138aa, >6I75_1|Chain... at 100%
6i74RCSB PDB    PDBbind138aa, >6I74_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6i78
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameGalectin-3
Ligand NameH5H
EC.Number E.C.-.-.-.-
Resolution 1.15(Å)
Affinity (Kd/Ki/IC50)Kd=18uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Org. Biomol. Chem. Vol. 17: pp. 1081-1089
Ligand Properties
Formula C22H22F4N4O4S
Molecular Weight 514.493
Exact Mass 514.130
No. of atoms 57
No. of bonds 60
Polar Surface Area 137.96
LOGP Value 2.76      (Computed with XLOGP3)
2.70      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 4
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): P17931  
Entrez Gene IDNCBI Entrez Gene ID: 3958  
ASDInformation of known allosteric effects of PDB entries
 
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