Related entries of code: 1k21
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1a2cRCSB PDB    PDBbind12aa, >1a2c_I... at 91%
1a46RCSB PDB    PDBbind12aa, >1a46_I... at 91%
1a4wRCSB PDB    PDBbind12aa, >1a4w_I... at 91%
1a5gRCSB PDB    PDBbind12aa, >1a5g_I... at 91%
1a61RCSB PDB    PDBbind12aa, >1a61_I... at 91%
1b5gRCSB PDB    PDBbind12aa, >1b5g_I... at 91%
1ba8RCSB PDB    PDBbind13aa, >1ba8_C... at 92%
1bb0RCSB PDB    PDBbind13aa, >1bb0_C... at 92%
1bcuRCSB PDB    PDBbind12aa, >1bcu_I... at 100%
1bmmRCSB PDB    PDBbind12aa, >1bmm_I... at 100%
1bmnRCSB PDB    PDBbind12aa, >1bmn_I... at 100%
1c1uRCSB PDB    PDBbind11aa, >1c1u_I... at 100%
1c1vRCSB PDB    PDBbind11aa, >1c1v_I... at 100%
1c5oRCSB PDB    PDBbind11aa, >1c5o_I... at 100%
1ca8RCSB PDB    PDBbind13aa, >1ca8_C... at 92%
1d3dRCSB PDB    PDBbind12aa, >1d3d_H... at 100%
1d3pRCSB PDB    PDBbind12aa, >1d3p_H... at 100%
1d3qRCSB PDB    PDBbind12aa, >1d3q_H... at 100%
1d4pRCSB PDB    PDBbind12aa, >1d4p_H... at 100%
1dojRCSB PDB    PDBbind11aa, >1doj_B... at 100%
1dwcRCSB PDB    PDBbind11aa, >1dwc_I... at 100%
1dwdRCSB PDB    PDBbind11aa, >1dwd_I... at 100%
1fpcRCSB PDB    PDBbind12aa, >1fpc_I... at 91%
1g30RCSB PDB    PDBbind11aa, >1g30_C... at 100%
1g32RCSB PDB    PDBbind11aa, >1g32_C... at 100%
1ghvRCSB PDB    PDBbind11aa, >1ghv_I... at 100%
1ghwRCSB PDB    PDBbind11aa, >1ghw_I... at 100%
1ghyRCSB PDB    PDBbind11aa, >1ghy_I... at 100%
1gj4RCSB PDB    PDBbind11aa, >1gj4_I... at 100%
1gj5RCSB PDB    PDBbind11aa, >1gj5_I... at 100%
1hdtRCSB PDB    PDBbind12aa, >1hdt_P... at 100%
1hrtRCSB PDB    PDBbind65aa, >1hrt_I... *
1k22RCSB PDB    PDBbind12aa, >1k22_I... at 91%
1kttRCSB PDB    PDBbind11aa, >1ktt_C... at 100%
1lhcRCSB PDB    PDBbind12aa, >1lhc_I... at 100%
1lhdRCSB PDB    PDBbind12aa, >1lhd_I... at 100%
1lheRCSB PDB    PDBbind12aa, >1lhe_I... at 100%
1lhfRCSB PDB    PDBbind12aa, >1lhf_I... at 100%
1lhgRCSB PDB    PDBbind12aa, >1lhg_I... at 100%
1mu6RCSB PDB    PDBbind11aa, >1mu6_C... at 100%
1mu8RCSB PDB    PDBbind11aa, >1mu8_C... at 100%
1mueRCSB PDB    PDBbind11aa, >1mue_C... at 100%
1nm6RCSB PDB    PDBbind11aa, >1nm6_B... at 90%
1no9RCSB PDB    PDBbind11aa, >1no9_I... at 100%
1o2gRCSB PDB    PDBbind11aa, >1o2g_I... at 100%
1o5gRCSB PDB    PDBbind11aa, >1o5g_I... at 100%
1oytRCSB PDB    PDBbind11aa, >1oyt_I... at 90%
1qbvRCSB PDB    PDBbind11aa, >1qbv_E... at 100%
1riwRCSB PDB    PDBbind11aa, >1riw_D... at 100%
1sl3RCSB PDB    PDBbind11aa, >1sl3_B... at 90%
1t4vRCSB PDB    PDBbind11aa, >1t4v_I... at 100%
1tbzRCSB PDB    PDBbind12aa, >1tbz_I... at 91%
1vzqRCSB PDB    PDBbind11aa, >1vzq_I... at 100%
1z71RCSB PDB    PDBbind11aa, >1z71_B... at 90%
2bvrRCSB PDB    PDBbind11aa, >2bvr_I... at 90%
2bvsRCSB PDB    PDBbind11aa, >2bvs_I... at 100%
2bvxRCSB PDB    PDBbind11aa, >2bvx_I... at 100%
2bxtRCSB PDB    PDBbind11aa, >2bxt_I... at 100%
2bxuRCSB PDB    PDBbind11aa, >2bxu_I... at 100%
2c8wRCSB PDB    PDBbind12aa, >2c8w_I... at 100%
2c8xRCSB PDB    PDBbind12aa, >2c8x_I... at 100%
2c8yRCSB PDB    PDBbind12aa, >2c8y_I... at 100%
2c90RCSB PDB    PDBbind12aa, >2c90_I... at 100%
2c93RCSB PDB    PDBbind12aa, >2c93_I... at 100%
2cf8RCSB PDB    PDBbind11aa, >2cf8_I... at 90%
2cf9RCSB PDB    PDBbind11aa, >2cf9_I... at 90%
2cn0RCSB PDB    PDBbind11aa, >2cn0_I... at 90%
2pw8RCSB PDB    PDBbind65aa, >2pw8_I... at 96%
2r2mRCSB PDB    PDBbind11aa, >2r2m_H... at 100%
2zc9RCSB PDB    PDBbind11aa, >2zc9_I... at 100%
2zdaRCSB PDB    PDBbind11aa, >2zda_I... at 100%
2zfpRCSB PDB    PDBbind11aa, >2zfp_I... at 100%
2zgxRCSB PDB    PDBbind11aa, >2zgx_I... at 100%
2zo3RCSB PDB    PDBbind11aa, >2zo3_I... at 100%
3duxRCSB PDB    PDBbind11aa, >3dux_I... at 100%
3c1kRCSB PDB    PDBbind11aa, >3c1k_B... at 100%
3dhkRCSB PDB    PDBbind11aa, >3dhk_I... at 100%
3egkRCSB PDB    PDBbind11aa, >3egk_I... at 100%
3f68RCSB PDB    PDBbind11aa, >3f68_I... at 100%
3p17RCSB PDB    PDBbind12aa, >3p17_I... at 91%
3qtoRCSB PDB    PDBbind13aa, >3qto_I... at 92%
3qtvRCSB PDB    PDBbind13aa, >3qtv_I... at 92%
3qwcRCSB PDB    PDBbind13aa, >3qwc_I... at 92%
3qx5RCSB PDB    PDBbind13aa, >3qx5_I... at 92%
3shaRCSB PDB    PDBbind13aa, >3sha_I... at 92%
3shcRCSB PDB    PDBbind13aa, >3shc_I... at 92%
3si3RCSB PDB    PDBbind13aa, >3si3_I... at 92%
3si4RCSB PDB    PDBbind13aa, >3si4_I... at 92%
3sv2RCSB PDB    PDBbind13aa, >3sv2_I... at 92%
3tu7RCSB PDB    PDBbind12aa, >3tu7_I... at 100%
3utuRCSB PDB    PDBbind11aa, >3utu_I... at 100%
4ax9RCSB PDB    PDBbind11aa, >4ax9_I... at 100%
4ayvRCSB PDB    PDBbind11aa, >4ayv_D... at 100%
4ayyRCSB PDB    PDBbind11aa, >4ayy_D... at 100%
4az2RCSB PDB    PDBbind11aa, >4az2_D... at 100%
4bamRCSB PDB    PDBbind12aa, >4bam_D... at 100%
4banRCSB PDB    PDBbind12aa, >4ban_D... at 100%
4baqRCSB PDB    PDBbind12aa, >4baq_D... at 100%
4e7rRCSB PDB    PDBbind11aa, >4e7r_J... at 100%
4lxbRCSB PDB    PDBbind13aa, >4lxb_I... at 100%
4n3lRCSB PDB    PDBbind12aa, >4n3l_I... at 91%
4nzeRCSB PDB    PDBbind12aa, >4nze_I... at 91%
4yesRCSB PDB    PDBbind13aa, >4yes_H... 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 2.70      (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: 13
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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