Structure of PDB 1xkb Chain C Binding Site BS01

Receptor Information
>1xkb Chain C (length=235) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IVGGQECKDGECPWQALLINEENEGFCGGTILSEFYILTAAHCLYQAKRF
KVRVGDRNTEQEEGGEAVHEVEVVIKHNRFTKETYDFDIAVLRLKTPITF
RMNVAPACLPERDWAESTLMTQKTGIVSGFGRTHEKGRQSTRLKMLEVPY
VDRNSCKLSSSFIITQNMFCAGYDTKQEDACQGDSGGPHVTRFKDTYFVT
GIVSWGEGCARKGKYGIYTKVTAFLKWIDRSMKTR
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1xkb Chain C Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1xkb Structural basis for chemical inhibition of human blood coagulation factor Xa.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		D70 N72 Q75 E76 E77 E80
Binding residue
(residue number reindexed from 1)		D56 N58 Q61 E62 E63 E66
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E86 T132 G193 S195 G196
Catalytic site (residue number reindexed from 1) E72 T121 G183 S185 G186
Enzyme Commision number 3.4.21.6: coagulation factor Xa.
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:1xkb, PDBe:1xkb, PDBj:1xkb
PDBsum1xkb
PubMed9618463
UniProtP00742|FA10_HUMAN Coagulation factor X (Gene Name=F10)

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