Structure of PDB 4bah Chain B Binding Site BS01

Receptor Information

>4bah Chain B (length=251) Species: 9606 (Homo sapiens)

IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPW
DKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDI
ALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETGQP
SVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGG
PFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQF
G

Ligand information

>4bah Chain A (length=29) Species: 9606 (Homo sapiens)

EADCGLRPLFEKKSLEDKTERELLESYID

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4bah Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors.
• Resolution: 1.94 Å
• Binding residue (original residue number in PDB): I37 E44 I45 G46 M47 P49 W50 D149 H152 P153 C155 Y170 K171 R173 N194 M241 K242 N247 R248 W249
• Binding residue (residue number reindexed from 1): I1 E8 I9 G10 M11 P13 W14 D113 H116 P117 C119 Y134 K135 R137 N157 M204 K205 N210 R211 W212

Enzymatic activity

• Catalytic site (original residue number in PDB): H79 D135 E232 G233 D234 S235 G236
• Catalytic site (residue number reindexed from 1): H43 D99 E195 G196 D197 S198 G199
• Enzyme Commision number: 3.4.21.5: thrombin.

Gene Ontology

Molecular Function

• GO:0004252 serine-type endopeptidase activity
• GO:0005509 calcium ion binding

Biological Process

• GO:0006508 proteolysis
• GO:0007596 blood coagulation

External links

• PDB: RCSB:4bah, PDBe:4bah, PDBj:4bah
• PDBsum: 4bah
• PubMed: 23290007
• UniProt: P00734|THRB_HUMAN Prothrombin (Gene Name=F2)