Structure of PDB 2bdi Chain K Binding Site BS01
Receptor Information
>2bdi Chain K (length=223) Species:
9606
(Homo sapiens) [
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IINGEDCSPHSQPWQAALVMENELFCSGVLVHPQWVLSAAHCFQNSYTIG
LGLHSLEADQEPGSQMVEASLSVRHPEYNRPLLANDLMLIKLDESVSESD
TIRSISIASQCPTAGNSCLVSGWGLLANGRMPTVLQCVNVSVVSEEVCSK
LYDPLYHPSMFCAGGGQDQKDSCNGDSGGPLICNGYLQGLVSFGKAPCGQ
VGVPGVYTNLCKFTEWIEKTVQA
Ligand information
Ligand ID
PBZ
InChI
InChI=1S/C7H9N3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H3,9,10)/p+1
InChIKey
WPANETAWYGDRLL-UHFFFAOYSA-O
SMILES
Software
SMILES
ACDLabs 10.04
N/C(c1ccc(N)cc1)=[NH2+]
OpenEye OEToolkits 1.5.0
c1cc(ccc1C(=[NH2+])N)N
CACTVS 3.341
NC(=[NH2+])c1ccc(N)cc1
Formula
C7 H10 N3
Name
P-AMINO BENZAMIDINE
ChEMBL
DrugBank
ZINC
PDB chain
2bdi Chain K Residue 711 [
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Receptor-Ligand Complex Structure
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PDB
2bdi
Crystal structures of human tissue kallikrein 4: activity modulation by a specific zinc binding site.
Resolution
3.0 Å
Binding residue
(original residue number in PDB)
S190 S195 F215 G216
Binding residue
(residue number reindexed from 1)
S172 S177 F193 G194
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
H57 D102 N192 G193 D194 S195 G196
Catalytic site (residue number reindexed from 1)
H41 D86 N174 G175 D176 S177 G178
Enzyme Commision number
3.4.21.-
Gene Ontology
Molecular Function
GO:0004252
serine-type endopeptidase activity
GO:0005515
protein binding
GO:0008236
serine-type peptidase activity
GO:0046872
metal ion binding
Biological Process
GO:0006508
proteolysis
GO:0022617
extracellular matrix disassembly
GO:0031214
biomineral tissue development
GO:0097186
amelogenesis
Cellular Component
GO:0005576
extracellular region
GO:0030141
secretory granule
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:2bdi
,
PDBe:2bdi
,
PDBj:2bdi
PDBsum
2bdi
PubMed
16950394
UniProt
Q9Y5K2
|KLK4_HUMAN Kallikrein-4 (Gene Name=KLK4)
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