Structure of PDB 5ms4 Chain B Binding Site BS02
Receptor Information
>5ms4 Chain B (length=228) Species:
9606
(Homo sapiens) [
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VLGGHECQPHSQPWQAALFQGQQLLCGGVLVGGNWVLTAAHCKKPKYTVR
LGDHSLQNKDGPEQEIPVVQSIPHPCYNSSDVEDHNHDLMLLQLRDQASL
GSKVKPISLADHCTQPGQKCTVSGWGTVTSPRENFPDTLNCAEVKIFPQK
KCEDAYPGQITDGMVCAGSSKGADTCQGDSGGPLVCDGALQGITSWGSDP
CGRSDKPGVYTNICRYLDWIKKIIGSKG
Ligand information
Ligand ID
CA
InChI
InChI=1S/Ca/q+2
InChIKey
BHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Ca+2]
Formula
Ca
Name
CALCIUM ION
ChEMBL
DrugBank
DB14577
ZINC
PDB chain
5ms4 Chain B Residue 301 [
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Receptor-Ligand Complex Structure
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PDB
5ms4
Structural determinants of specificity and regulation of activity in the allosteric loop network of human KLK8/neuropsin.
Resolution
2.1 Å
Binding residue
(original residue number in PDB)
D70 S72 N75 D77 E80
Binding residue
(residue number reindexed from 1)
D53 S55 N58 D60 E63
Annotation score
4
Enzymatic activity
Catalytic site (original residue number in PDB)
H57 D102 Q192 G193 D194 S195
Catalytic site (residue number reindexed from 1)
H41 D88 Q177 G178 D179 S180
Enzyme Commision number
3.4.21.118
: kallikrein 8.
Gene Ontology
Molecular Function
GO:0004252
serine-type endopeptidase activity
GO:0005515
protein binding
GO:0008233
peptidase activity
GO:0008236
serine-type peptidase activity
Biological Process
GO:0006508
proteolysis
GO:0007613
memory
GO:0009611
response to wounding
GO:0043616
keratinocyte proliferation
GO:0048812
neuron projection morphogenesis
GO:0050807
regulation of synapse organization
GO:0050808
synapse organization
Cellular Component
GO:0005576
extracellular region
GO:0005615
extracellular space
GO:0005737
cytoplasm
GO:0030141
secretory granule
GO:0097180
serine protease inhibitor complex
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:5ms4
,
PDBe:5ms4
,
PDBj:5ms4
PDBsum
5ms4
PubMed
30013126
UniProt
O60259
|KLK8_HUMAN Kallikrein-8 (Gene Name=KLK8)
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