Structure of PDB 1g2l Chain A Binding Site BS01

Receptor Information
>1g2l Chain A (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 chain1g2l Chain A Residue 999 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1g2l Structural basis for inhibition promiscuity of dual specific thrombin and factor Xa blood coagulation inhibitors.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D71 N73 Q76 E77 E81
Binding residue
(residue number reindexed from 1)		D56 N58 Q61 E62 E66
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H57 D103 Q197 G198 D199 S200 G201
Catalytic site (residue number reindexed from 1) H42 D88 Q182 G183 D184 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:1g2l, PDBe:1g2l, PDBj:1g2l
PDBsum1g2l
PubMed11342132
UniProtP00742|FA10_HUMAN Coagulation factor X (Gene Name=F10)

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