Structure of PDB 2f9p Chain B Binding Site BS03
Receptor Information
>2f9p Chain B (length=243) Species:
9606
(Homo sapiens) [
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IVGGQEAPRSKWPWQVSLRVRDRYWMHFCGGSLIHPQWVLTAAHCVGPDV
KDLATLRVQLREQHLYYQDQLLPVSRIIVHPQFYIIQTGADIALLELEEP
VNISSRVHTVMLPPASETFPPGMPCWVTGWGDVDNDEPLPPPFPLKQVKV
PIMENHICDAKYHLGAYTGDDVRIIRDDMLCAGNSQRDSCKGDSGGPLVC
KVNGTWLQAGVVSWGEGCAQPNRPGIYTRVTYYLDWIHHYVPK
Ligand information
Ligand ID
BU3
InChI
InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1
InChIKey
OWBTYPJTUOEWEK-QWWZWVQMSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C[C@H]([C@@H](C)O)O
CACTVS 3.341
C[C@@H](O)[C@@H](C)O
ACDLabs 10.04
OC(C)C(O)C
OpenEye OEToolkits 1.5.0
CC(C(C)O)O
CACTVS 3.341
C[CH](O)[CH](C)O
Formula
C4 H10 O2
Name
(R,R)-2,3-BUTANEDIOL
ChEMBL
DrugBank
ZINC
ZINC000000901616
PDB chain
2f9p Chain B Residue 1251 [
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Receptor-Ligand Complex Structure
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PDB
2f9p
X-ray Structures of Free and Leupeptin-complexed Human alpha I-Tryptase Mutants: Indication for an alpha to beta-Tryptase Transition
Resolution
2.3 Å
Binding residue
(original residue number in PDB)
Q221A P222 R224
Binding residue
(residue number reindexed from 1)
Q220 P221 R223
Annotation score
1
Enzymatic activity
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
GO:0042802
identical protein binding
Biological Process
GO:0006508
proteolysis
GO:0006952
defense response
GO:0022617
extracellular matrix disassembly
Cellular Component
GO:0005576
extracellular region
GO:0005615
extracellular space
GO:0062023
collagen-containing extracellular matrix
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:2f9p
,
PDBe:2f9p
,
PDBj:2f9p
PDBsum
2f9p
PubMed
16414069
UniProt
Q15661
|TRYB1_HUMAN Tryptase alpha/beta-1 (Gene Name=TPSAB1)
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