Browse entries in the PDBbind-CN Database

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Related entries of code: 4ayy
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%
4az2RCSB PDB    PDBbind11aa, >4AZ2_3|Chain... at 90%
4baoRCSB PDB    PDBbind259aa, >4BAO_2|Chain... at 100%
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 ID4ayy
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHuman thrombin
Ligand Name9MX
EC.Number E.C.3.4.21.5
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)Ki=6.7nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (1994) J.Med.Chem. Vol. 37: pp. 3889-3910
Ligand Properties
Formula C28H39N6O6S
Molecular Weight 587.711
Exact Mass 587.265
No. of atoms 80
No. of bonds 83
Polar Surface Area 196.31
LOGP Value 3.90      (Computed with XLOGP3)
3.56      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 4
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): P28508  P00734  
Entrez Gene IDNCBI Entrez Gene ID: 2147  
ASDInformation of known allosteric effects of PDB entries
 
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