Structure of PDB 8tqs Chain H

Receptor sequence

>8tqsH (length=251) Species: 9606 (Homo sapiens)

IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPW
DKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDI
ALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKEGQPS
VLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDAGGP
FVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFG
E

3D structure

• PDB: 8tqs Complex of human thrombin (S195A) bound to a bivalent inhibitor comprised of DNA Aptamer HD22 conjugated to Dabigatran with a linker.
• Chain: H
• Resolution: 2.207 Å

Enzymatic activity

• Enzyme Commision number: 3.4.21.5: thrombin.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	dna	H	H91 P92 R93 Y94 N95 W96 R97 R101 R126 L130 F181 H230 R233 W237 V241 F245	H87 P88 R89 Y90 N91 W92 R93 R98 R123 L130 F178 H234 R237 W241 V245 F249
BS02	4CC	H	Y60A W60D E97A N98 I174 D189 A190 C191 S214 W215 G216 E217	Y47 W50 E94 N95 I171 D191 A192 C193 S218 W219 G220 E221

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:8tqs, PDBe:8tqs, PDBj:8tqs
• PDBsum: 8tqs
• PubMed: 38730234
• UniProt: P00734|THRB_HUMAN Prothrombin (Gene Name=F2)