Browse entries in the PDBbind-CN Database

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Related entries of code: 5n31
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1os0RCSB PDB    PDBbind316aa, >1OS0_1|Chain... *
1qf0RCSB PDB    PDBbind316aa, >1QF0_1|Chain... at 100%
1qf1RCSB PDB    PDBbind316aa, >1QF1_1|Chain... at 100%
1qf2RCSB PDB    PDBbind316aa, >1QF2_1|Chain... at 100%
1thlRCSB PDB    PDBbind316aa, >1THL_1|Chain... at 100%
1tlpRCSB PDB    PDBbind316aa, >1TLP_1|Chain... at 100%
1tmnRCSB PDB    PDBbind316aa, >1TMN_1|Chain... at 100%
1y3gRCSB PDB    PDBbind316aa, >1Y3G_1|Chain... at 99%
1z9gRCSB PDB    PDBbind316aa, >1Z9G_1|Chain... at 100%
1zdpRCSB PDB    PDBbind316aa, >1ZDP_1|Chain... at 100%
2tmnRCSB PDB    PDBbind316aa, >2TMN_1|Chain... at 100%
3fcqRCSB PDB    PDBbind316aa, >3FCQ_1|Chain... at 100%
4tlnRCSB PDB    PDBbind316aa, >4TLN_1|Chain... at 100%
4tmnRCSB PDB    PDBbind316aa, >4TMN_1|Chain... at 100%
5js3RCSB PDB    PDBbind316aa, >5JS3_1|Chain... at 99%
5jssRCSB PDB    PDBbind316aa, >5JSS_1|Chain... at 99%
5jt9RCSB PDB    PDBbind316aa, >5JT9_1|Chain... at 99%
5jviRCSB PDB    PDBbind316aa, >5JVI_1|Chain... at 99%
5jxnRCSB PDB    PDBbind316aa, >5JXN_1|Chain... at 99%
5lifRCSB PDB    PDBbind316aa, >5LIF_1|Chain... at 99%
5lvdRCSB PDB    PDBbind316aa, >5LVD_1|Chain... at 99%
5lwdRCSB PDB    PDBbind316aa, >5LWD_1|Chain... at 99%
5m9wRCSB PDB    PDBbind316aa, >5M9W_1|Chain... at 99%
5ma7RCSB PDB    PDBbind316aa, >5MA7_1|Chain... at 99%
5mnrRCSB PDB    PDBbind316aa, >5MNR_1|Chain... at 99%
5n2tRCSB PDB    PDBbind316aa, >5N2T_1|Chain... at 99%
5n2xRCSB PDB    PDBbind316aa, >5N2X_1|Chain... at 99%
5n2zRCSB PDB    PDBbind316aa, >5N2Z_1|Chain... at 99%
5n34RCSB PDB    PDBbind316aa, >5N34_1|Chain... at 99%
5n3vRCSB PDB    PDBbind316aa, >5N3V_1|Chain... at 99%
5n3yRCSB PDB    PDBbind316aa, >5N3Y_1|Chain... at 99%
5tlnRCSB PDB    PDBbind316aa, >5TLN_1|Chain... at 100%
5tmnRCSB PDB    PDBbind316aa, >5TMN_1|Chain... at 100%
6fhpRCSB PDB    PDBbind62aa, >6FHP_2|Chains... 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 ID5n31
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameThermolysin
Ligand Name8LB
EC.Number E.C.3.4.24.27
Resolution 1.37(Å)
Affinity (Kd/Ki/IC50)Kd=1.61uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) J. Med. Chem. Vol. 60: pp. 5791-5799
Ligand Properties
Formula C21H35N3O7P
Molecular Weight 472.492
Exact Mass 472.221
No. of atoms 67
No. of bonds 67
Polar Surface Area 170.81
LOGP Value 3.26      (Computed with XLOGP3)
3.55      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 16
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 1
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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