Structure of PDB 6rot Chain H Binding Site BS01

Receptor Information

>6rot 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
ALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKEGQPS
VLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGP
FVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFG

Ligand information

>6rot Chain L (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	6rot Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding.
Resolution	1.339 Å
Binding residue (original residue number in PDB)	E23 G25 M26 P28 W29 F114 D116 H119 P120 C122 Y134 K135 R137 N159 M201 K202 P204 N205 R206 W207
Binding residue (residue number reindexed from 1)	E8 G10 M11 P13 W14 F111 D113 H116 P117 C119 Y134 K135 R137 N156 M203 K204 P206 N209 R210 W211

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 E194 G195 D196 S197 G198
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:6rot, PDBe:6rot, PDBj:6rot
PDBsum	6rot
PubMed	31633354
UniProt	P00734\|THRB_HUMAN Prothrombin (Gene Name=F2)

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