PDB entry 1ghw

View 1ghw on RCSB PDB site
Description: a novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site
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 INHIBITOR COMPLEX
Deposited on 2001-01-22, released 2002-01-22
The last revision prior to the SCOPe 2.08 freeze date was dated 2017-10-04, with a file datestamp of 2017-09-29.
Experiment type: XRAY
Resolution: 1.75 Å
R-factor: N/A
AEROSPACI score: 0.38 (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 2.08: d1ghw.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 2.08: d1ghw.1
  • Heterogens: NA, BMZ, HOH

PDB Chain Sequences:

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

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

  • Chain 'I':
    No sequence available.

  • Chain 'L':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >1ghwL (L:)
tfgsgeadcglrplfekksledkterellesyidgr