Structure of PDB 5tnt Chain A

Receptor sequence
>5tntA (length=235) Species: 9606 (Homo sapiens) [Search protein sequence]
VVGGEDAKPGQFPWQVVLNGKVDAFCGGSIVNEKWIVTAAHCVETGVKIT
VVAGEHNIEETEHTEQKRNVIRIIPHHNYNAAINKYNHDIALLELDEPLV
LNSYVTPICIADKEYTNIFLKFGSGYVSGWGRVFHKGASALVLQYLRVPL
VDRATCLRSTKFTIYNNMFCAGFHEGGRDSCQGDSGGPHVTEVEGTSFLT
GIISWGEECAMKGKYGIYTKVSRYVNWIKEKTKLT
3D structure
PDB5tnt Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors.
ChainA
Resolution1.4 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) H57 D102 Q192 G193 D194 S195 G196
Catalytic site (residue number reindexed from 1) H41 D89 Q182 G183 D184 S185 G186
Enzyme Commision number 3.4.21.22: coagulation factor IXa.
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 7GQ A Y99 F174 D189 S190 C191 Q192 W215 G216 E217 C220 Y86 F162 D179 S180 C181 Q182 W205 G206 E207 C209 MOAD: ic50=4.9nM
PDBbind-CN: -logKd/Ki=8.31,IC50=4.9nM
BindingDB: IC50=550nM
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:5tnt, PDBe:5tnt, PDBj:5tnt
PDBsum5tnt
PubMed28408226
UniProtP00740|FA9_HUMAN Coagulation factor IX (Gene Name=F9)

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