Structure of PDB 1d3q Chain B Binding Site BS01

Receptor Information

>1d3q Chain B (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

>1d3q Chain A (length=28) Species: 9606 (Homo sapiens) [Search peptide sequence] [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

EADCGLRPLFEKKSLEDKTERELLESYI

Receptor-Ligand Complex Structure

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Structure summary

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PDB	1d3q The crystal structures of human alpha-thrombin complexed with active site-directed diamino benzo[b]thiophene derivatives: a binding mode for a structurally novel class of inhibitors.
Resolution	2.9 Å
Binding residue (original residue number in PDB)	E44 G46 M47 P49 W50 H152 P153 C155 Y170 K171 R173 N200 M247 K248 R254 W255
Binding residue (residue number reindexed from 1)	E8 G10 M11 P13 W14 H116 P117 C119 Y134 K135 R137 N157 M204 K205 R211 W212

Enzymatic activity

Catalytic site (original residue number in PDB)	H79 D135 E238 G239 D240 S241 G242
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

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Molecular Function

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Biological Process

External links

PDB	RCSB:1d3q, PDBe:1d3q, PDBj:1d3q
PDBsum	1d3q
PubMed	10739244
UniProt	P00734\|THRB_HUMAN Prothrombin (Gene Name=F2)

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