Structure of PDB 1a0l Chain C Binding Site BS01
Receptor Information
>1a0l Chain C (length=244) Species:
9606
(Homo sapiens) [
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IVGGQEAPRSKWPWQVSLRVHGPYWMHFCGGSLIHPQWVLTAAHCVGPDV
KDLAALRVQLREQHLYYQDQLLPVSRIIVHPQFYTAQIGADIALLELEEP
VKVSSHVHTVTLPPASETFPPGMPCWVTGWGDVDNDERLPPPFPLKQVKV
PIMENHICDAKYHLGAYTGDDVRIVRDDMLCAGNTRRDSCQGDSGGPLVC
KVNGTWLQAGVVSWGEGCAQPNRPGIYTRVTYYLDWIHHYVPKK
Ligand information
Ligand ID
APA
InChI
InChI=1S/C10H12N2O3/c11-9(12)7-3-1-6(2-4-7)5-8(13)10(14)15/h1-4,8,13H,5H2,(H3,11,12)(H,14,15)/t8-/m0/s1
InChIKey
FAFAPKBWTCDDJC-QMMMGPOBSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.0
[H]/N=C(/c1ccc(cc1)C[C@@H](C(=O)O)O)\N
CACTVS 3.370
NC(=N)c1ccc(C[C@H](O)C(O)=O)cc1
CACTVS 3.370
NC(=N)c1ccc(C[CH](O)C(O)=O)cc1
ACDLabs 12.01
O=C(O)C(O)Cc1ccc(cc1)C(=[N@H])N
OpenEye OEToolkits 1.7.0
c1cc(ccc1CC(C(=O)O)O)C(=N)N
Formula
C10 H12 N2 O3
Name
(2S)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid
ChEMBL
DrugBank
ZINC
ZINC000015277701
PDB chain
1a0l Chain C Residue 301 [
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Receptor-Ligand Complex Structure
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PDB
1a0l
Human beta-tryptase is a ring-like tetramer with active sites facing a central pore.
Resolution
3.0 Å
Binding residue
(original residue number in PDB)
H57 D189 S190 Q192 G193 S195 V213 G219
Binding residue
(residue number reindexed from 1)
H44 D188 S189 Q191 G192 S194 V212 G217
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
H57 D102 Q192 G193 D194 S195 G196
Catalytic site (residue number reindexed from 1)
H44 D91 Q191 G192 D193 S194 G195
Enzyme Commision number
3.4.21.59
: tryptase.
Gene Ontology
Molecular Function
GO:0004252
serine-type endopeptidase activity
GO:0005515
protein binding
GO:0008236
serine-type peptidase activity
Biological Process
GO:0006508
proteolysis
Cellular Component
GO:0005576
extracellular region
GO:0005615
extracellular space
GO:0062023
collagen-containing extracellular matrix
View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:1a0l
,
PDBe:1a0l
,
PDBj:1a0l
PDBsum
1a0l
PubMed
9521329
UniProt
P20231
|TRYB2_HUMAN Tryptase beta-2 (Gene Name=TPSB2)
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