Browse entries in the PDBbind-CN Database

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Related entries of code: 4baq
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%
3si3RCSB PDB    PDBbind13aa, >3SI3_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%
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 ID4baq
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameTHROMBIN
Ligand NameM4Z
EC.Number E.C.3.4.21.5
Resolution 1.89(Å)
Affinity (Kd/Ki/IC50)Ki=0.98nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Biochemistry Vol. 52: pp. 613
Ligand Properties
Formula C24H38N6O3
Molecular Weight 458.597
Exact Mass 458.301
No. of atoms 71
No. of bonds 73
Polar Surface Area 146.73
LOGP Value 3.23      (Computed with XLOGP3)
-0.56      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 9
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): P01050  P00734  
Entrez Gene IDNCBI Entrez Gene ID: 2147  
ASDInformation of known allosteric effects of PDB entries
 
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