Structure of PDB 1ca8 Chain B Binding Site BS01

Receptor Information

>1ca8 Chain B (length=249) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

IVEGSDAEIGMSPWQVMLFRKPQELLCGASLISDRWVLTAAHCLLYPPWD
KNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIA
LMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETQPSV
LQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPF
VMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFG

Ligand information

>1ca8 Chain A (length=26) Species: 9606 (Homo sapiens) [Search peptide sequence] [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

ADCGLRPLFEKKSLEDKTERELLESY

Receptor-Ligand Complex Structure

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Structure summary

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PDB	1ca8 Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes
Resolution	2.1 Å
Binding residue (original residue number in PDB)	E23 I24 G25 M26 P28 W29 D116 H119 P120 C122 Y134 K135 R137 N159 M201 K202 R206 W207
Binding residue (residue number reindexed from 1)	E8 I9 G10 M11 P13 W14 D112 H115 P116 C118 Y133 K134 R136 N155 M202 K203 R209 W210

Enzymatic activity

Catalytic site (original residue number in PDB)	H57 D102 E192 G193 D194 S195 G196
Catalytic site (residue number reindexed from 1)	H42 D98 E193 G194 D195 S196 G197
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:1ca8, PDBe:1ca8, PDBj:1ca8
PDBsum	1ca8
PubMed	9724521
UniProt	P00734\|THRB_HUMAN Prothrombin (Gene Name=F2)

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