Structure of PDB 2r2m Chain B

Receptor sequence

>2r2mB (length=249) Species: 9606 (Homo sapiens)

IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPW
DKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDI
ALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKEGQPS
VLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGP
FVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQF

3D structure

• PDB: 2r2m 2-(2-Chloro-6-Fluorophenyl)Acetamides as Potent Thrombin Inhibitors
• Chain: B
• Resolution: 2.1 Å

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 E194 G195 D196 S197 G198
• 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	peptide	B	E44 G46 M47 P49 W50 D149 H152 P153 C155 Y170 K171 R173 N194 M241 K242 N247 R248 W249	E8 G10 M11 P13 W14 D113 H116 P117 C119 Y134 K135 R137 N156 M203 K204 N209 R210 W211
BS02	peptide	B	F55 Q60 L62 R104 T105 R106 Y107 M116	F19 Q24 L26 R68 T69 R70 Y71 M80
BS03	I50	B	H79 Y83 W86 E130 D229 A230 C231 S235 S256 W257 G258	H43 Y47 W50 E94 D191 A192 C193 S197 S218 W219 G220	MOAD: Ki=47.1nM PDBbind-CN: -logKd/Ki=7.33,Ki=47.1nM

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:2r2m, PDBe:2r2m, PDBj:2r2m
• PDBsum: 2r2m
• PubMed: 17889527
• UniProt: P00734|THRB_HUMAN Prothrombin (Gene Name=F2)