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Related entries of code: 1k21
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1a2cRCSB PDB    PDBbind12aa, >1A2C:I|PDBID|CHAIN|... at 91%
1a46RCSB PDB    PDBbind12aa, >1A46:I|PDBID|CHAIN|... at 91%
1a4wRCSB PDB    PDBbind12aa, >1A4W:I|PDBID|CHAIN|... at 91%
1a5gRCSB PDB    PDBbind12aa, >1A5G:I|PDBID|CHAIN|... at 91%
1a61RCSB PDB    PDBbind12aa, >1A61:I|PDBID|CHAIN|... at 91%
1b5gRCSB PDB    PDBbind12aa, >1B5G:I|PDBID|CHAIN|... at 91%
1bcuRCSB PDB    PDBbind12aa, >1BCU:I|PDBID|CHAIN|... at 100%
1bmmRCSB PDB    PDBbind12aa, >1BMM:I|PDBID|CHAIN|... at 100%
1bmnRCSB PDB    PDBbind12aa, >1BMN:I|PDBID|CHAIN|... at 100%
1d3dRCSB PDB    PDBbind12aa, >1D3D:H|PDBID|CHAIN|... at 100%
1d3pRCSB PDB    PDBbind12aa, >1D3P:H|PDBID|CHAIN|... at 100%
1d3qRCSB PDB    PDBbind12aa, >1D3Q:H|PDBID|CHAIN|... at 100%
1d4pRCSB PDB    PDBbind12aa, >1D4P:H|PDBID|CHAIN|... at 100%
1fpcRCSB PDB    PDBbind12aa, >1FPC:I|PDBID|CHAIN|... at 91%
1hdtRCSB PDB    PDBbind12aa, >1HDT:P|PDBID|CHAIN|... at 100%
1k22RCSB PDB    PDBbind12aa, >1K22:I|PDBID|CHAIN|... at 91%
1lhcRCSB PDB    PDBbind12aa, >1LHC:I|PDBID|CHAIN|... at 100%
1lhdRCSB PDB    PDBbind12aa, >1LHD:I|PDBID|CHAIN|... at 100%
1lheRCSB PDB    PDBbind12aa, >1LHE:I|PDBID|CHAIN|... at 100%
1lhfRCSB PDB    PDBbind12aa, >1LHF:I|PDBID|CHAIN|... at 100%
1lhgRCSB PDB    PDBbind12aa, >1LHG:I|PDBID|CHAIN|... at 100%
1oytRCSB PDB    PDBbind11aa, >1OYT:I|PDBID|CHAIN|... at 90%
1tbzRCSB PDB    PDBbind12aa, >1TBZ:I|PDBID|CHAIN|... at 91%
2bvrRCSB PDB    PDBbind11aa, >2BVR:I|PDBID|CHAIN|... at 90%
2c8wRCSB PDB    PDBbind12aa, >2C8W:I|PDBID|CHAIN|... at 100%
2c8xRCSB PDB    PDBbind12aa, >2C8X:I|PDBID|CHAIN|... at 100%
2c8yRCSB PDB    PDBbind12aa, >2C8Y:I|PDBID|CHAIN|... at 100%
2c90RCSB PDB    PDBbind12aa, >2C90:I|PDBID|CHAIN|... at 100%
2c93RCSB PDB    PDBbind12aa, >2C93:I|PDBID|CHAIN|... at 100%
2pw8RCSB PDB    PDBbind65aa, >2PW8:I|PDBID|CHAIN|... at 96%
3p17RCSB PDB    PDBbind12aa, >3P17:I|PDBID|CHAIN|... at 91%
3qtoRCSB PDB    PDBbind13aa, >3QTO:I|PDBID|CHAIN|... at 92%
3qtvRCSB PDB    PDBbind13aa, >3QTV:I|PDBID|CHAIN|... at 92%
3qwcRCSB PDB    PDBbind13aa, >3QWC:I|PDBID|CHAIN|... at 92%
3qx5RCSB PDB    PDBbind13aa, >3QX5:I|PDBID|CHAIN|... at 92%
3shaRCSB PDB    PDBbind13aa, >3SHA:I|PDBID|CHAIN|... at 92%
3shcRCSB PDB    PDBbind13aa, >3SHC:I|PDBID|CHAIN|... at 92%
3si3RCSB PDB    PDBbind13aa, >3SI3:I|PDBID|CHAIN|... at 92%
3si4RCSB PDB    PDBbind13aa, >3SI4:I|PDBID|CHAIN|... at 92%
3sv2RCSB PDB    PDBbind13aa, >3SV2:I|PDBID|CHAIN|... at 92%
3tu7RCSB PDB    PDBbind12aa, >3TU7:I|PDBID|CHAIN|... at 100%
4bamRCSB PDB    PDBbind12aa, >4BAM:D|PDBID|CHAIN|... at 100%
4banRCSB PDB    PDBbind12aa, >4BAN:D|PDBID|CHAIN|... at 100%
4baqRCSB PDB    PDBbind12aa, >4BAQ:D|PDBID|CHAIN|... at 100%
4lxbRCSB PDB    PDBbind13aa, >4LXB:I|PDBID|CHAIN|... at 100%
4n3lRCSB PDB    PDBbind12aa, >4N3L:I|PDBID|CHAIN|... at 91%
4nzeRCSB PDB    PDBbind12aa, >4NZE:I|PDBID|CHAIN|... at 91%
4ufdRCSB PDB    PDBbind12aa, >4UFD:I|PDBID|CHAIN|... at 100%
4ufeRCSB PDB    PDBbind12aa, >4UFE:I|PDBID|CHAIN|... at 100%
4uffRCSB PDB    PDBbind12aa, >4UFF:I|PDBID|CHAIN|... at 100%
4ufgRCSB PDB    PDBbind12aa, >4UFG:I|PDBID|CHAIN|... at 100%
4yesRCSB PDB    PDBbind13aa, >4YES:H|PDBID|CHAIN|... at 92%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1k1oRCSB PDB    PDBbindIGN

Entry Information
PDB ID1k21
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namethrombin pro
Ligand NameIGN
EC.Number E.C.3.4.21.5
Resolution 1.86(Å)
Affinity (Kd/Ki/IC50)Ki=4.2nM
Release Year2002
Protein/NA SequenceCheck fasta file
Primary ReferenceJ.Mol.Biol. v313 pp. 593-614, 2001
Ligand Properties
Formula C21H40N6O4
Molecular Weight 440.580
Exact Mass 440.311
No. of atoms 71
No. of bonds 72
Polar Surface Area 169.33
LOGP Value 1.80      (Computed with XLOGP3)
-1.06      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 2
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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