PDB entry 1gj4

View 1gj4 on RCSB PDB site
Description: selectivity at s1, h2o displacement, upa, tpa, ser190/ala190 protease, structure-based drug design
Class: hydrolase/hydrolase inhibitor
Keywords: three-centered, very short hydrogen bond, oxyanion hole water, shift of pKa of His57, structure-based drug design, specificity, urokinase, trypsin, thrombin, Zn+2-mediated inhibition, BLOOD CLOTTING, hydrolase, HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Deposited on 2001-04-27, released 2002-04-27
The last revision prior to the SCOPe 2.05 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-08.
Experiment type: XRAY
Resolution: 1.81 Å
R-factor: 0.202
AEROSPACI score: 0.47 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'H':
    Compound: thrombin
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d1gj4.1
  • Chain 'I':
    Compound: acetyl hirudin
    Species: Hirudo medicinalis, synthetic [TaxId:6421]
    Database cross-references and differences (RAF-indexed):
  • Chain 'L':
    Compound: thrombin
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d1gj4.1
  • Heterogens: NA, 132, HOH

PDB Chain Sequences:

  • Chain 'H':
    Sequence, based on SEQRES records: (download) 
    >1gj4H (H:)
ivegsdaeigmspwqvmlfrkspqellcgaslisdrwvltaahcllyppwdknftendll
vrigkhsrtryerniekismlekiyihprynwrenldrdialmklkkpvafsdyihpvcl
pdretaasllqagykgrvtgwgnlketwtanvgkgqpsvlqvvnlpiverpvckdstrir
itdnmfcagykpdegkrgdacegdsggpfvmkspfnnrwyqmgivswgegcdrdgkygfy
thvfrlkkwiqkvidqfg

    Sequence, based on observed residues (ATOM records): (download) 
    >1gj4H (H:)
ivegsdaeigmspwqvmlfrkspqellcgaslisdrwvltaahcllyppwdknftendll
vrigkhsrtryerniekismlekiyihprynwrenldrdialmklkkpvafsdyihpvcl
pdretaasllqagykgrvtgwgnlketgqpsvlqvvnlpiverpvckdstriritdnmfc
agykpdegkrgdacegdsggpfvmkspfnnrwyqmgivswgegcdrdgkygfythvfrlk
kwiqkvidqfg

  • Chain 'I':
    No sequence available.

  • Chain 'L':
    Sequence, based on SEQRES records: (download) 
    >1gj4L (L:)
tfgsgeadcglrplfekksledkterellesyidgr

    Sequence, based on observed residues (ATOM records): (download) 
    >1gj4L (L:)
eadcglrplfekksledkterellesyi