Structure of PDB 1zgv Chain A

Receptor sequence
>1zgvA (length=276) Species: 9606 (Homo sapiens) [Search protein sequence]
DCGLRPLFEKKSLEDKTERELLESYIIVEGSDAEIGMSPWQVMLFRKSPQ
ELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERN
IEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRE
TAASLLQAGYKGRVTGWGNLKEGQPSVLQVVNLPIVERPVCKDSTRIRIT
DNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCD
RDGKYGFYTHVFRLKKWIQKVIDQFG
3D structure
PDB1zgv Development of an oxazolopyridine series of dual thrombin/factor Xa inhibitors via structure-guided lead optimization.
ChainA
Resolution2.2 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 L40 R67 T74 R75 Y76 I82 F45 L52 R88 T95 R96 Y97 I104
BS02 501 A Y60A A190 C191 S195 V213 W215 G216 G219 G226 F227 Y73 A218 C219 S223 V243 W245 G246 G248 G256 F257 MOAD: ic50~1uM
PDBbind-CN: -logKd/Ki=6.00,IC50=1uM
BindingDB: IC50=1000nM
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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Cellular Component
External links
PDB RCSB:1zgv, PDBe:1zgv, PDBj:1zgv
PDBsum1zgv
PubMed16137886
UniProtP00734|THRB_HUMAN Prothrombin (Gene Name=F2)

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