3B23-C-B

PDB Title CRYSTAL STRUCTURE OF THROMBIN-VARIEGIN COMPLEX: INSIGHTS OF A NOVEL MECHANISM OF INHIBITION AND DESIGN OF TUNABLE THROMBIN INHIBITORS
Resolution (Å) 2.400
Classification HYDROLASE/HYDROLASE INHIBITOR

Protein

Description Thrombin heavy chain
Organism Homo sapiens
Chain B
Length 259
Binding Area (Å2) 826.77
Molecular Weight 29737.85
Aromaticity 0.11
Instability 31.60
Isoelectric Point 8.88
Sequence IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE

Peptide

Description Variegin
Organism Amblyomma variegatum
Chain C
Length 17
Binding Area (Å2) 1012.56
Hydrophobic (% a.a.)
52%
Molecular Weight 2004.20
Aromaticity 0.18
Instability 87.86
Isoelectric Point 4.40
Sequence HKTAPPFDFEAIPEEYL

Clustering Classification

Sequence cluster S 79
Contact cluster C4
Interface cluster I1008