Structure of PDB 1zgi Chain A

Receptor sequence
>1zgiA (length=276) Species: 9606 (Homo sapiens) [Search protein sequence]
DCGLRPLFEKKSLEDKTERELLESYIIVEGSDAEIGMSPWQVMLFRKSPQ
ELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERN
IEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRE
TAASLLQAGYKGRVTGWGNLKEGQPSVLQVVNLPIVERPVCKDSTRIRIT
DNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCD
RDGKYGFYTHVFRLKKWIQKVIDQFG
3D structure
PDB1zgi 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
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]
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 L40 R67 R73 T74 R75 Y76 K81 I82 F45 Q50 L52 R88 R94 T95 R96 Y97 K103 I104
BS02 382 A H57 Y60A W60D E97A N98 L99 A190 E192 S195 V213 W215 G216 G219 C220 H69 Y73 W76 E120 N121 L122 A218 E220 S223 V243 W245 G246 G248 C249 MOAD: Ki=4.6uM
PDBbind-CN: -logKd/Ki=5.34,Ki=4.6uM
BindingDB: Ki=4.6nM
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1zgi, PDBe:1zgi, PDBj:1zgi
PDBsum1zgi
PubMed16137886
UniProtP00734|THRB_HUMAN Prothrombin (Gene Name=F2)

[Back to BioLiP]