Structure of PDB 2c93 Chain B

Receptor sequence
>2c93B (length=251) Species: 9606 (Homo sapiens) [Search protein sequence]
IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPW
DKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDI
ALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKEGQPS
VLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGP
FVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFG
E
3D structure
PDB2c93 Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors
ChainB
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) H43 D99 E194 G195 D196 S197 G198
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 B E23 G25 M26 P28 W29 F114 H119 P120 C122 Y134 K135 G136 R137 N159 M201 K202 R206 W207 E8 G10 M11 P13 W14 F111 H116 P117 C119 Y134 K135 G136 R137 N156 M203 K204 R210 W211
BS02 peptide B F34 L40 L65 R67 R73 T74 Y76 K81 I82 F19 L26 L60 R62 R68 T69 Y71 K77 I78
BS03 C4M B H57 Y60A W60D L99 E192 W215 G216 H43 Y47 W50 L96 E194 W219 G220 MOAD: ic50=12uM
PDBbind-CN: -logKd/Ki=4.92,IC50=12uM
BindingDB: IC50=12000nM
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:2c93, PDBe:2c93, PDBj:2c93
PDBsum2c93
PubMed16480269
UniProtP00734|THRB_HUMAN Prothrombin (Gene Name=F2)

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