Structure of PDB 3ens Chain B

Receptor sequence
>3ensB (length=238) Species: 9606 (Homo sapiens) [Search protein sequence]
IVGGQECKDGECPWQALLINEENEGFCGGTILSEFYILTAAHCLYQAKRF
KVRVGDRNTEQEEGGEAVHEVEVVIKHNRFTKETYDFDIAVLRLKTPITF
RMNVAPACLPERDWAESTLMTQKTGIVSGFGRTHEKGRQSTRLKMLEVPY
VDRNSCKLSSSFIITQNMFCAGYDTKQEDACQGDSGGPHVTRFKDTYFVT
GIVSWGEGCARKGKYGIYTKVTAFLKWIDRSMKTRGLP
3D structure
PDB3ens Design, Structure-Activity Relationships, X-ray Crystal Structure, and Energetic Contributions of a Critical P1 Pharmacophore: 3-Chloroindole-7-yl-Based Factor Xa Inhibitors.
ChainB
Resolution2.3 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 ENS B T98 Y99 E147 D189 A190 Q192 V213 W215 G216 G218 C220 G226 T84 Y85 E135 D179 A180 Q182 V203 W205 G206 G208 C209 G216 MOAD: ic50=8.9nM
PDBbind-CN: -logKd/Ki=8.05,IC50=8.9nM
BS02 CA B D70 N72 T73 Q75 E80 D56 N58 T59 Q61 E66
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:3ens, PDBe:3ens, PDBj:3ens
PDBsum3ens
PubMed18998662
UniProtP00742|FA10_HUMAN Coagulation factor X (Gene Name=F10)

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