Structure of PDB 1jwt Chain A

Receptor sequence
>1jwtA (length=299) Species: 9606 (Homo sapiens) [Search protein sequence]
TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGRIVEGSDAEIGMSPW
QVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIG
KHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDY
IHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWGQPSVLQVVNLPIVER
PVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWY
QMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGEDFEEIPEEYL
3D structure
PDB1jwt Novel bicyclic lactam inhibitors of thrombin: potency and selectivity optimization through P1 residues.
ChainA
Resolution2.5 Å
3D
structure
Catalytic site residues are labeled in the structure
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]
Enzymatic activity
Catalytic site (original residue number in PDB) H79 D135 E232 G233 D234 S235 G236
Catalytic site (residue number reindexed from 1) H79 D135 E232 G233 D234 S235 G236
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 BLI A H79 N131 I209 D229 C231 W257 G258 G260 G268 H79 N131 I209 D229 C231 W257 G258 G260 G268 MOAD: Ki=14nM
PDBbind-CN: -logKd/Ki=7.85,Ki=14nM
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
GO:0005509 calcium ion binding
Biological Process
GO:0006508 proteolysis
GO:0007596 blood coagulation
Cellular Component
GO:0005576 extracellular region

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1jwt, PDBe:1jwt, PDBj:1jwt
PDBsum1jwt
PubMed11720865
UniProtP00734|THRB_HUMAN Prothrombin (Gene Name=F2)

[Back to BioLiP]