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Related entries of code: 3si3
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1a2cRCSB PDB    PDBbind12aa, >1A2C_3|Chain... at 91%
1a46RCSB PDB    PDBbind12aa, >1A46_3|Chain... at 91%
1a4wRCSB PDB    PDBbind12aa, >1A4W_3|Chain... at 91%
1a5gRCSB PDB    PDBbind12aa, >1A5G_3|Chain... at 91%
1a61RCSB PDB    PDBbind12aa, >1A61_3|Chain... at 91%
1b5gRCSB PDB    PDBbind12aa, >1B5G_3|Chain... at 91%
1ba8RCSB PDB    PDBbind13aa, >1BA8_3|Chain... at 92%
1bb0RCSB PDB    PDBbind13aa, >1BB0_3|Chain... at 92%
1bcuRCSB PDB    PDBbind12aa, >1BCU_3|Chain... at 100%
1bmmRCSB PDB    PDBbind12aa, >1BMM_3|Chain... at 100%
1bmnRCSB PDB    PDBbind12aa, >1BMN_3|Chain... at 100%
1ca8RCSB PDB    PDBbind13aa, >1CA8_3|Chain... at 92%
1d3dRCSB PDB    PDBbind12aa, >1D3D_3|Chain... at 100%
1d3pRCSB PDB    PDBbind12aa, >1D3P_3|Chain... at 100%
1d3qRCSB PDB    PDBbind12aa, >1D3Q_3|Chain... at 100%
1d4pRCSB PDB    PDBbind12aa, >1D4P_3|Chain... at 100%
1fpcRCSB PDB    PDBbind12aa, >1FPC_3|Chain... at 91%
1hdtRCSB PDB    PDBbind12aa, >1HDT_3|Chain... at 100%
1k21RCSB PDB    PDBbind12aa, >1K21_3|Chain... at 91%
1k22RCSB PDB    PDBbind12aa, >1K22_3|Chain... at 91%
1lhcRCSB PDB    PDBbind12aa, >1LHC_3|Chain... at 100%
1lhdRCSB PDB    PDBbind12aa, >1LHD_3|Chain... at 100%
1lheRCSB PDB    PDBbind12aa, >1LHE_3|Chain... at 100%
1lhfRCSB PDB    PDBbind12aa, >1LHF_3|Chain... at 100%
1lhgRCSB PDB    PDBbind12aa, >1LHG_3|Chain... at 100%
1oytRCSB PDB    PDBbind11aa, >1OYT_3|Chain... at 90%
1tbzRCSB PDB    PDBbind12aa, >1TBZ_3|Chain... at 91%
2bvrRCSB PDB    PDBbind11aa, >2BVR_2|Chain... at 90%
2c8wRCSB PDB    PDBbind12aa, >2C8W_3|Chain... at 100%
2c8xRCSB PDB    PDBbind12aa, >2C8X_3|Chain... at 100%
2c8yRCSB PDB    PDBbind12aa, >2C8Y_3|Chain... at 100%
2c90RCSB PDB    PDBbind12aa, >2C90_3|Chain... at 100%
2c93RCSB PDB    PDBbind12aa, >2C93_3|Chain... at 100%
2cf8RCSB PDB    PDBbind11aa, >2CF8_2|Chain... at 90%
2cf9RCSB PDB    PDBbind11aa, >2CF9_2|Chain... at 90%
2cn0RCSB PDB    PDBbind11aa, >2CN0_2|Chain... at 90%
2pw8RCSB PDB    PDBbind65aa, >2PW8_3|Chain... at 96%
3p17RCSB PDB    PDBbind12aa, >3P17_3|Chain... at 91%
3qtoRCSB PDB    PDBbind13aa, >3QTO_3|Chain... at 92%
3qtvRCSB PDB    PDBbind13aa, >3QTV_3|Chain... at 92%
3qwcRCSB PDB    PDBbind13aa, >3QWC_3|Chain... at 92%
3qx5RCSB PDB    PDBbind13aa, >3QX5_3|Chain... at 92%
3shaRCSB PDB    PDBbind13aa, >3SHA_3|Chain... at 92%
3shcRCSB PDB    PDBbind13aa, >3SHC_3|Chain... at 92%
3si4RCSB PDB    PDBbind13aa, >3SI4_3|Chain... at 92%
3sv2RCSB PDB    PDBbind13aa, >3SV2_3|Chain... at 92%
3tu7RCSB PDB    PDBbind12aa, >3TU7_3|Chain... at 100%
4bamRCSB PDB    PDBbind12aa, >4BAM_3|Chain... at 100%
4banRCSB PDB    PDBbind12aa, >4BAN_3|Chain... at 100%
4baqRCSB PDB    PDBbind12aa, >4BAQ_3|Chain... at 100%
4lxbRCSB PDB    PDBbind13aa, >4LXB_2|Chain... at 100%
4ufdRCSB PDB    PDBbind12aa, >4UFD_2|Chain... at 100%
4ufeRCSB PDB    PDBbind12aa, >4UFE_2|Chain... at 100%
4uffRCSB PDB    PDBbind12aa, >4UFF_2|Chain... at 100%
4ufgRCSB PDB    PDBbind12aa, >4UFG_2|Chain... at 100%
4yesRCSB PDB    PDBbind13aa, >4YES_3|Chain... at 92%
6eo8RCSB PDB    PDBbind12aa, >6EO8_3|Chain... at 91%
6eo9RCSB PDB    PDBbind12aa, >6EO9_3|Chain... at 91%
6rotRCSB PDB    PDBbind12aa, >6ROT_3|Chain... at 100%
6gbwRCSB PDB    PDBbind12aa, >6GBW_3|Chain... at 100%
5lpdRCSB PDB    PDBbind12aa, >5LPD_3|Chain... at 100%
5lceRCSB PDB    PDBbind12aa, >5LCE_3|Chain... at 100%
5jzyRCSB PDB    PDBbind12aa, >5JZY_3|Chain... at 100%
5jfdRCSB PDB    PDBbind12aa, >5JFD_3|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 ID3si3
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namethrombin
Ligand NameB03
EC.Number E.C.3.4.21.5
Resolution 1.55(Å)
Affinity (Kd/Ki/IC50)Ki=69.3uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Mol.Biol. Vol. 418: pp. 350-366
Ligand Properties
Formula C20H25N4O2
Molecular Weight 353.438
Exact Mass 353.198
No. of atoms 51
No. of bonds 53
Polar Surface Area 89.94
LOGP Value 1.13      (Computed with XLOGP3)
0.87      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 6
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): P09945  P00734  
Entrez Gene IDNCBI Entrez Gene ID: 2147  
ASDInformation of known allosteric effects of PDB entries
 
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