Structure of PDB 4ayv Chain B

Receptor sequence
>4ayvB (length=257) Species: 9606 (Homo sapiens) [Search protein sequence]
IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPW
DKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDI
ALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTA
NVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDA
CEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWI
QKVIDQF
3D structure
PDB4ayv Design and Synthesis of Potent and Highly Selective Thrombin Inhibitors.
ChainB
Resolution2.8 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) H43 D99 E202 G203 D204 S205 G206
Catalytic site (residue number reindexed from 1) H43 D99 E202 G203 D204 S205 G206
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 F19 K21 R68 T69 R70 Y71 F19 K21 R68 T69 R70 Y71
BS02 9MQ B H43 Y47 I179 D199 S205 V225 W227 G228 E229 G230 H43 Y47 I179 D199 S205 V225 W227 G228 E229 G230 PDBbind-CN: -logKd/Ki=9.17,Ki=0.68nM
BindingDB: Ki=0.68nM
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
GO:0005509 calcium ion binding
Biological Process
GO:0006508 proteolysis
GO:0007596 blood coagulation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4ayv, PDBe:4ayv, PDBj:4ayv
PDBsum4ayv
PubMed7966150
UniProtP00734|THRB_HUMAN Prothrombin (Gene Name=F2)

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