Structure of PDB 1nm6 Chain A Binding Site BS01

Receptor Information

>1nm6 Chain A (length=276) Species: 9606 (Homo sapiens)

DCGLRPLFEKKSLEDKTERELLESYIIVEGSDAEIGMSPWQVMLFRKSPQ
ELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERN
IEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRE
TAASLLQAGYKGRVTGWGNLKEGQPSVLQVVNLPIVERPVCKDSTRIRIT
DNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCD
RDGKYGFYTHVFRLKKWIQKVIDQFG

Ligand information

>1nm6 Chain B (length=11) Species: 6421 (Hirudo medicinalis)

DFEEIPEEYLA

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1nm6 Design and synthesis of potent and selective macrocyclic thrombin inhibitors
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): F34 Q38 E39 L40 L65 R73 T74 R75 Y76 K81 I82
• Binding residue (residue number reindexed from 1): F45 Q50 E51 L52 L86 R94 T95 R96 Y97 K103 I104

Enzymatic activity

• Catalytic site (original residue number in PDB): H57 D102 E192 G193 D194 S195 G196
• Catalytic site (residue number reindexed from 1): H69 D125 E220 G221 D222 S223 G224
• 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

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:1nm6, PDBe:1nm6, PDBj:1nm6
• PDBsum: 1nm6
• PubMed: 12873514
• UniProt: P00734|THRB_HUMAN Prothrombin (Gene Name=F2)