1GI6

A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE

Summary for 1GI6

Related1C5R
DescriptorBETA-TRYPSIN, CALCIUM ION, CHLORIDE ION, ... (6 entities in total)
Functional Keywordsthree-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, hydrolase
Biological sourceBos taurus (cattle)
Cellular locationSecreted, extracellular space P00760
Total number of polymer chains1
Total molecular weight23748.17
Authors
Katz, B.A.,Elrod, K.,Luong, C.,Rice, M.,Mackman, R.L.,Sprengeler, P.A.,Spencer, J.,Hatayte, J.,Janc, J.,Link, J.,Litvak, J.,Rai, R.,Rice, K.,Sideris, S.,Verner, E.,Young, W. (deposition date: 2001-01-22, release date: 2002-01-22, Last modification date: 2017-10-04)
Primary citation
Katz, B.A.,Elrod, K.,Luong, C.,Rice, M.J.,Mackman, R.L.,Sprengeler, P.A.,Spencer, J.,Hataye, J.,Janc, J.,Link, J.,Litvak, J.,Rai, R.,Rice, K.,Sideris, S.,Verner, E.,Young, W.
A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307:1451-1486, 2001
PubMed: 11292354 (PDB entries with the same primary citation)
DOI: 10.1006/jmbi.2001.4516
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.49 Å)
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Structure validation

ClashscoreRamachandran outliersSidechain outliersRSRZ outliers200.5%2.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

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