Structure of PDB 6t56 Chain H Binding Site BS03

Receptor Information
>6t56 Chain H (length=250) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPW
DKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDI
ALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETGQP
SVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGG
PFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQF
Ligand information
Ligand IDABN
InChIInChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
InChIKeyWGQKYBSKWIADBV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)CN
ACDLabs 10.04
CACTVS 3.341		NCc1ccccc1
FormulaC7 H9 N
NameBENZYLAMINE
ChEMBLCHEMBL522
DrugBankDB02464
ZINCZINC000006096244
PDB chain6t56 Chain H Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6t56 Thrombin in Complex with Benzylamine
Resolution1.31 Å
Binding residue
(original residue number in PDB)		E97A N98 L99 W215
Binding residue
(residue number reindexed from 1)		E94 N95 L96 W220
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H57 D102 E192 G193 D194 S195 G196
Catalytic site (residue number reindexed from 1) H43 D99 E195 G196 D197 S198 G199
Enzyme Commision number 3.4.21.5: thrombin.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
GO:0005509 calcium ion binding
Biological Process
GO:0006508 proteolysis
GO:0007596 blood coagulation

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:6t56, PDBe:6t56, PDBj:6t56
PDBsum6t56
PubMed
UniProtP00734|THRB_HUMAN Prothrombin (Gene Name=F2)

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