Structure of PDB 1awf Chain H

Receptor sequence

>1awfH (length=258) Species: 9606 (Homo sapiens)

IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPW
DKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDI
ALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTA
NVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDA
CEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWI
QKVIDQFG

3D structure

• PDB: 1awf Novel natural product 5,5-trans-lactone inhibitors of human alpha-thrombin: mechanism of action and structural studies.
• Chain: H
• Resolution: 2.2 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	peptide	H	E23 M26 P28 W29 D116 H119 P120 C122 Y134 K135 R137 N159 M201 K202 R206 W207	E8 M11 P13 W14 D113 H116 P117 C119 Y134 K135 R137 N164 M211 K212 R218 W219
BS02	peptide	H	F34 L65 R73 T74 R75 Y76 K81 I82 M84	F19 L60 R68 T69 R70 Y71 K77 I78 M80
BS03	GR4	H	H57 W60D W148 A190 C191 E192 G193 S195 W215 G216	H43 W50 W148 A200 C201 E202 G203 S205 W227 G228	PDBbind-CN: -logKd/Ki=6.01,Ki=0.97uM

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:1awf, PDBe:1awf, PDBj:1awf
• PDBsum: 1awf
• PubMed: 9578548
• UniProt: P00734|THRB_HUMAN Prothrombin (Gene Name=F2)