Structure of PDB 1nt1 Chain A

Receptor sequence
>1nt1A (length=276) Species: 9606 (Homo sapiens) [Search protein sequence]
DCGLRPLFEKKSLEDKTERELLESYIIVEGSDAEIGMSPWQVMLFRKSPQ
ELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERN
IEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRE
TAASLLQAGYKGRVTGWGNLKEGQPSVLQVVNLPIVERPVCKDSTRIRIT
DNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCD
RDGKYGFYTHVFRLKKWIQKVIDQFG
3D structure
PDB1nt1 Design and synthesis of potent and selective macrocyclic thrombin inhibitors
ChainA
Resolution2.0 Å
3D
structure
Catalytic site residues are labeled in the structure
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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.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 peptide A F34 Q38 L65 R67 R73 T74 R75 Y76 K81 I82 M84 F45 Q50 L86 R88 R94 T95 R96 Y97 K103 I104 M106
BS02 T76 A H57 Y60A S195 V213 S214 W215 G216 G219 F227 H69 Y73 S223 V243 S244 W245 G246 G248 F257 MOAD: Ki=1.3nM
PDBbind-CN: -logKd/Ki=8.89,Ki=1.3nM
BindingDB: Ki=1.3nM
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1nt1, PDBe:1nt1, PDBj:1nt1
PDBsum1nt1
PubMed12873514
UniProtP00734|THRB_HUMAN Prothrombin (Gene Name=F2)

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