Browse entries in the PDBbind-CN Database

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Related entries of code: 4bao
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ad8RCSB PDB    PDBbind259aa, >1AD8_2|Chain... at 100%
1awfRCSB PDB    PDBbind259aa, >1AWF_2|Chain... at 100%
1awhRCSB PDB    PDBbind259aa, >1AWH_2|Chains... at 100%
1bhxRCSB PDB    PDBbind105aa, >1BHX_3|Chain... at 100%
1c1uRCSB PDB    PDBbind259aa, >1C1U_2|Chain... at 100%
1c1vRCSB PDB    PDBbind11aa, >1C1V_3|Chain... at 90%
1c5nRCSB PDB    PDBbind259aa, >1C5N_2|Chain... at 100%
1c5oRCSB PDB    PDBbind259aa, >1C5O_2|Chain... at 100%
1d6wRCSB PDB    PDBbind287aa, >1D6W_1|Chain... at 100%
1d9iRCSB PDB    PDBbind288aa, >1D9I_1|Chain... at 100%
1dojRCSB PDB    PDBbind11aa, >1DOJ_2|Chain... at 90%
1dwcRCSB PDB    PDBbind11aa, >1DWC_3|Chain... at 90%
1dwdRCSB PDB    PDBbind11aa, >1DWD_3|Chain... at 90%
1eb1RCSB PDB    PDBbind27aa, >1EB1_3|Chain... at 100%
1g30RCSB PDB    PDBbind11aa, >1G30_3|Chain... at 90%
1g32RCSB PDB    PDBbind11aa, >1G32_3|Chain... at 90%
1g37RCSB PDB    PDBbind287aa, >1G37_1|Chain... at 100%
1ghvRCSB PDB    PDBbind11aa, >1GHV_3|Chain... at 90%
1ghwRCSB PDB    PDBbind11aa, >1GHW_3|Chain... at 90%
1ghyRCSB PDB    PDBbind257aa, >1GHY_2|Chain... at 100%
1gj4RCSB PDB    PDBbind11aa, >1GJ4_3|Chain... at 90%
1gj5RCSB PDB    PDBbind11aa, >1GJ5_3|Chain... at 90%
1hgtRCSB PDB    PDBbind259aa, >1HGT_2|Chain... at 100%
1jwtRCSB PDB    PDBbind305aa, >1JWT_1|Chain... *
1kttRCSB PDB    PDBbind259aa, >1KTT_2|Chain... at 100%
1mu6RCSB PDB    PDBbind11aa, >1MU6_3|Chain... at 90%
1mu8RCSB PDB    PDBbind11aa, >1MU8_3|Chain... at 90%
1mueRCSB PDB    PDBbind11aa, >1MUE_3|Chain... at 90%
1nm6RCSB PDB    PDBbind11aa, >1NM6_2|Chain... at 90%
1no9RCSB PDB    PDBbind11aa, >1NO9_3|Chain... at 90%
1ny2RCSB PDB    PDBbind259aa, >1NY2_2|Chain... at 100%
1o2gRCSB PDB    PDBbind259aa, >1O2G_2|Chain... at 100%
1o5gRCSB PDB    PDBbind259aa, >1O5G_2|Chain... at 100%
1qbvRCSB PDB    PDBbind11aa, >1QBV_3|Chain... at 90%
1qhrRCSB PDB    PDBbind259aa, >1QHR_2|Chain... at 100%
1qj1RCSB PDB    PDBbind259aa, >1QJ1_2|Chain... at 100%
1qj6RCSB PDB    PDBbind259aa, >1QJ6_2|Chain... at 100%
1qj7RCSB PDB    PDBbind259aa, >1QJ7_2|Chain... at 100%
1riwRCSB PDB    PDBbind11aa, >1RIW_4|Chain... at 90%
1sb1RCSB PDB    PDBbind258aa, >1SB1_2|Chain... at 100%
1sl3RCSB PDB    PDBbind11aa, >1SL3_2|Chain... at 90%
1t4vRCSB PDB    PDBbind11aa, >1T4V_3|Chain... at 90%
1tomRCSB PDB    PDBbind12aa, >1TOM_3|Chain... at 91%
1uvsRCSB PDB    PDBbind259aa, >1UVS_2|Chain... at 100%
1vr1RCSB PDB    PDBbind261aa, >1VR1_2|Chain... at 96%
1vzqRCSB PDB    PDBbind27aa, >1VZQ_3|Chain... at 100%
1w7gRCSB PDB    PDBbind12aa, >1W7G_2|Chain... at 91%
1wayRCSB PDB    PDBbind259aa, >1WAY_2|Chain... at 100%
1wbgRCSB PDB    PDBbind259aa, >1WBG_2|Chain... at 99%
1ypeRCSB PDB    PDBbind257aa, >1YPE_2|Chain... at 100%
1ypgRCSB PDB    PDBbind257aa, >1YPG_2|Chain... at 100%
1ypjRCSB PDB    PDBbind257aa, >1YPJ_2|Chain... at 100%
1z71RCSB PDB    PDBbind11aa, >1Z71_2|Chain... at 90%
1zgiRCSB PDB    PDBbind287aa, >1ZGI_1|Chain... at 100%
1zgvRCSB PDB    PDBbind287aa, >1ZGV_1|Chain... at 100%
2anmRCSB PDB    PDBbind36aa, >2ANM_2|Chain... at 100%
2bdyRCSB PDB    PDBbind289aa, >2BDY_1|Chain... at 100%
2bvsRCSB PDB    PDBbind36aa, >2BVS_3|Chain... at 100%
2bvxRCSB PDB    PDBbind36aa, >2BVX_3|Chain... at 100%
2bxtRCSB PDB    PDBbind36aa, >2BXT_3|Chain... at 100%
2bxuRCSB PDB    PDBbind36aa, >2BXU_3|Chain... at 100%
2gdeRCSB PDB    PDBbind259aa, >2GDE_2|Chain... at 100%
2h9tRCSB PDB    PDBbind259aa, >2H9T_2|Chain... at 100%
2jh0RCSB PDB    PDBbind259aa, >2JH0_2|Chain... at 100%
2jh5RCSB PDB    PDBbind259aa, >2JH5_2|Chain... at 100%
2jh6RCSB PDB    PDBbind36aa, >2JH6_1|Chain... at 100%
2pksRCSB PDB    PDBbind102aa, >2PKS_3|Chain... at 100%
2r2mRCSB PDB    PDBbind11aa, >2R2M_3|Chain... at 90%
2zc9RCSB PDB    PDBbind11aa, >2ZC9_3|Chain... at 90%
2zdaRCSB PDB    PDBbind11aa, >2ZDA_3|Chain... at 90%
2zfpRCSB PDB    PDBbind11aa, >2ZFP_3|Chain... at 90%
2zgxRCSB PDB    PDBbind259aa, >2ZGX_2|Chain... at 100%
2zo3RCSB PDB    PDBbind259aa, >2ZO3_2|Chain... at 100%
3bv9RCSB PDB    PDBbind259aa, >3BV9_2|Chain... at 99%
3c1kRCSB PDB    PDBbind11aa, >3C1K_2|Chain... at 90%
3da9RCSB PDB    PDBbind259aa, >3DA9_2|Chain... at 100%
3dhkRCSB PDB    PDBbind259aa, >3DHK_2|Chain... at 100%
3duxRCSB PDB    PDBbind11aa, >3DUX_3|Chain... at 90%
3egkRCSB PDB    PDBbind36aa, >3EGK_1|Chain... at 100%
3f68RCSB PDB    PDBbind11aa, >3F68_3|Chain... at 90%
3po1RCSB PDB    PDBbind147aa, >3PO1_2|Chain... at 100%
3utuRCSB PDB    PDBbind11aa, >3UTU_3|Chain... at 90%
4ax9RCSB PDB    PDBbind28aa, >4AX9_3|Chain... at 100%
4ayvRCSB PDB    PDBbind257aa, >4AYV_2|Chain... at 100%
4ayyRCSB PDB    PDBbind257aa, >4AYY_2|Chain... at 100%
4az2RCSB PDB    PDBbind11aa, >4AZ2_3|Chain... at 90%
4e7rRCSB PDB    PDBbind259aa, >4E7R_2|Chains... at 100%
4hfpRCSB PDB    PDBbind259aa, >4HFP_2|Chains... at 99%
4loyRCSB PDB    PDBbind27aa, >4LOY_3|Chain... at 100%
4rn6RCSB PDB    PDBbind290aa, >4RN6_1|Chains... at 99%
7kmeRCSB PDB    PDBbind259aa, >7KME_2|Chain... at 100%
6gweRCSB PDB    PDBbind30aa, >6GWE_4|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 ID4bao
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameTHROMBIN
Ligand NameMVF
EC.Number E.C.3.4.21.5
Resolution 1.87(Å)
Affinity (Kd/Ki/IC50)Ki=4.29nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Biochemistry Vol. 52: pp. 613
Ligand Properties
Formula C22H34N6O3
Molecular Weight 430.544
Exact Mass 430.269
No. of atoms 65
No. of bonds 67
Polar Surface Area 160.72
LOGP Value 2.47      (Computed with XLOGP3)
-0.90      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 11
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): P09945  P00734  
Entrez Gene IDNCBI Entrez Gene ID: 2147  
ASDInformation of known allosteric effects of PDB entries
 
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