2026-10-03_00000024
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ligand
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11YH
D189F thrombin inhibited with D-Phe-Pro-Phe-Chloromethylketone;
X-ray diffraction 2.20Å
Protein #1
49 residues (82% resolved)
Raw Sequence ...
TATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR
Canonical Sequence ...
TATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR
Protein #2
273 residues (91% resolved)
Raw Sequence ...
IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGFACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGEYLEDQVDPRLIDGK
Canonical Sequence ...
IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGFACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGEYLEDQVDPRLIDGK
Non polymer #3
A1DFL
InChI=1S/C24H30ClN3O3/c25-16-22(29)20(15-18-10-5-2-6-11-18)27-23(30)21-12-7-13-28(21)24(31)19(26)14-17-8-3-1-4-9-17/h1-6,8-11,19-22,29H,7,12-16,26H2,(H,27,30)/t19-,20+,21+,22?/m1/s1
InChI=1S/C24H30ClN3O3/c25-16-22(29)20(15-18-10-5-2-6-11-18)27-23(30)21-12-7-13-28(21)24(31)19(26)14-17-8-3-1-4-9-17/h1-6,8-11,19-22,29H,7,12-16,26H2,(H,27,30)/t19-,20+,21+,22?/m1/s1
SMILES: c1ccc(cc1)C[C@@H](C(CCl)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N
c1ccc(cc1)C[C@@H](C(CCl)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N
Biounit #1
hetero-1-1-mer
Download coordinates
Biounit #2
hetero-1-1-mer
Download coordinates
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Model
Reference
100%