Structure of PDB 6yb6 Chain H Binding Site BS05

Receptor Information
>6yb6 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 IDOJK
InChIInChI=1S/C7H8ClNO2/c8-5-2-6(10)4(3-9)1-7(5)11/h1-2,10-11H,3,9H2
InChIKeyHHRDPHVERPGLEM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385NCc1cc(O)c(Cl)cc1O
OpenEye OEToolkits 2.0.7c1c(c(cc(c1O)Cl)O)CN
FormulaC7 H8 Cl N O2
Name2-(aminomethyl)-5-chloranyl-benzene-1,4-diol
ChEMBL
DrugBank
ZINC
PDB chain6yb6 Chain D Residue 102 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6yb6 Thrombin in complex with D-Phe-Pro-3-chloro-1,3-dihydroxybenzylamide derivative (13c)
Resolution1.33 Å
Binding residue
(original residue number in PDB)		H57 S195 S214 W215 G216 G219 C220
Binding residue
(residue number reindexed from 1)		H43 S198 S219 W220 G221 G223 C224
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
View graph for
Biological Process
External links
PDB RCSB:6yb6, PDBe:6yb6, PDBj:6yb6
PDBsum6yb6
PubMed
UniProtP00734|THRB_HUMAN Prothrombin (Gene Name=F2)

[Back to BioLiP]