Structure of PDB 4ayy Chain B

Receptor sequence
>4ayyB (length=257) Species: 9606 (Homo sapiens) [Search protein sequence]
IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPW
DKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDI
ALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTA
NVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDA
CEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWI
QKVIDQF
3D structure
PDB4ayy Design and Synthesis of Potent and Highly Selective Thrombin Inhibitors.
ChainB
Resolution2.6 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 9MX B H43 Y47 W50 L96 D199 C201 W227 G228 G230 H43 Y47 W50 L96 D199 C201 W227 G228 G230 PDBbind-CN: -logKd/Ki=8.17,Ki=6.7nM
BindingDB: Ki=6.7nM
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
GO:0005509 calcium ion binding
Biological Process
GO:0006508 proteolysis
GO:0007596 blood coagulation

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4ayy, PDBe:4ayy, PDBj:4ayy
PDBsum4ayy
PubMed7966150
UniProtP00734|THRB_HUMAN Prothrombin (Gene Name=F2)

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