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Related entries of code: 1qf0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1os0RCSB PDB    PDBbind316aa, >1OS0:A|PDBID|CHAIN|... *
1qf1RCSB PDB    PDBbind316aa, >1QF1:A|PDBID|CHAIN|... at 100%
1qf2RCSB PDB    PDBbind316aa, >1QF2:A|PDBID|CHAIN|... at 100%
1thlRCSB PDB    PDBbind316aa, >1THL:A|PDBID|CHAIN|... at 100%
1tlpRCSB PDB    PDBbind316aa, >1TLP:E|PDBID|CHAIN|... at 100%
1tmnRCSB PDB    PDBbind316aa, >1TMN:E|PDBID|CHAIN|... at 100%
1y3gRCSB PDB    PDBbind316aa, >1Y3G:E|PDBID|CHAIN|... at 99%
1z9gRCSB PDB    PDBbind316aa, >1Z9G:E|PDBID|CHAIN|... at 100%
1zdpRCSB PDB    PDBbind316aa, >1ZDP:E|PDBID|CHAIN|... at 100%
2tmnRCSB PDB    PDBbind316aa, >2TMN:E|PDBID|CHAIN|... at 100%
3fcqRCSB PDB    PDBbind316aa, >3FCQ:A|PDBID|CHAIN|... at 100%
4tlnRCSB PDB    PDBbind316aa, >4TLN:A|PDBID|CHAIN|... at 100%
4tmnRCSB PDB    PDBbind316aa, >4TMN:E|PDBID|CHAIN|... at 100%
5lifRCSB PDB    PDBbind316aa, >5LIF:E|PDBID|CHAIN|... at 99%
5js3RCSB PDB    PDBbind316aa, >5JS3:E|PDBID|CHAIN|... at 99%
5jssRCSB PDB    PDBbind316aa, >5JSS:E|PDBID|CHAIN|... at 99%
5jt9RCSB PDB    PDBbind316aa, >5JT9:E|PDBID|CHAIN|... at 99%
5jviRCSB PDB    PDBbind316aa, >5JVI:E|PDBID|CHAIN|... at 99%
5jxnRCSB PDB    PDBbind316aa, >5JXN:E|PDBID|CHAIN|... at 99%
5lwdRCSB PDB    PDBbind316aa, >5LWD:E|PDBID|CHAIN|... at 99%
5tlnRCSB PDB    PDBbind316aa, >5TLN:A|PDBID|CHAIN|... at 100%
5tmnRCSB PDB    PDBbind316aa, >5TMN:E|PDBID|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 ID1qf0
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namethermolysin
Ligand NameTI2
EC.Number E.C.
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Ki=42nM
Release Year1999
Protein/NA SequenceCheck fasta file
Primary ReferenceBiochemistry v38 pp. 12569-76, 1999
Ligand Properties
Formula C27H28N2O5S
Molecular Weight 492.587
Exact Mass 492.172
No. of atoms 63
No. of bonds 65
Polar Surface Area 154.53
LOGP Value 5.30      (Computed with XLOGP3)
3.55      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
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): P00800  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

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