Structure of PDB 3m36 Chain A

Receptor sequence
>3m36A (length=234) Species: 9606 (Homo sapiens) [Search protein sequence]
IVGGQECKDGECPWQALLINEENEGFCGGTILSEFYILTAAHCLYQAKRF
KVRVGDRNTEQEEGGEAVHEVEVVIKHNRFTKETYDFDIAVLRLKTPITF
RMNVAPACLPERDWAESTLMTQKTGIVSGFGRTHEKGRQSTRLKMLEVPY
VDRNSCKLSSSFIITQNMFCAGYDTKQEDACQGDSGGPHVTRFKDTYFVT
GIVSWGEGCARKGKYGIYTKVTAFLKWIDRSMKT
3D structure
PDB3m36 Discovery of 1-(2-Aminomethylphenyl)-3-trifluoromethyl-N-[3-fluoro-2'-(aminosulfonyl)[1,1'-biphenyl)]-1H-pyrazole-5-carboxyamide (DPC602), a Potent, Selective, and Orally Bioavailable Factor Xa Inhibitor
ChainA
Resolution2.15 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) H42 D88 Q182 G183 D184 S185 G186
Enzyme Commision number 3.4.21.6: coagulation factor Xa.
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 M35 A E97 T98 Y99 R143 F174 D189 A190 C191 Q192 S195 V213 W215 G216 G218 C220 E83 T84 Y85 R132 F162 D179 A180 C181 Q182 S185 V203 W205 G206 G208 C209 PDBbind-CN: -logKd/Ki=9.82,Ki=0.15nM
BindingDB: Ki=0.15nM,IC50=2.4nM
BS02 CA A D70 N72 T73 Q75 E77 E80 D56 N58 T59 Q61 E63 E66
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:3m36, PDBe:3m36, PDBj:3m36
PDBsum3m36
PubMed14640539
UniProtP00742|FA10_HUMAN Coagulation factor X (Gene Name=F10)

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