Structure of PDB 1bjj Chain B Binding Site BS01
Receptor Information
>1bjj Chain B (length=122) Species:
8714
(Gloydius halys) [
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NLLQFNKMIKEETGKNAIPFYAFYGCYCGWGGQGKPKDGTDRCCFVHDCC
YGRLVNCNTKSDIYSYSLKEGYITCGKGTNCEEQICECDRVAAECFRRNL
DTYNNGYMFYRDSKCTETSEEC
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
1bjj Chain B Residue 134 [
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Receptor-Ligand Complex Structure
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PDB
1bjj
Structure of agkistrodotoxin in an orthorhombic crystal form with six molecules per asymmetric unit.
Resolution
2.8 Å
Binding residue
(original residue number in PDB)
Y28 G30 G32 D49
Binding residue
(residue number reindexed from 1)
Y27 G29 G31 D48
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
Y28 G30 G32 H48 D49 Y52 Y73 D99
Catalytic site (residue number reindexed from 1)
Y27 G29 G31 H47 D48 Y51 Y64 D89
Enzyme Commision number
3.1.1.4
: phospholipase A2.
Gene Ontology
Molecular Function
GO:0004623
phospholipase A2 activity
GO:0005509
calcium ion binding
GO:0005543
phospholipid binding
GO:0016787
hydrolase activity
GO:0046872
metal ion binding
GO:0047498
calcium-dependent phospholipase A2 activity
GO:0090729
toxin activity
Biological Process
GO:0006644
phospholipid metabolic process
GO:0016042
lipid catabolic process
GO:0035821
modulation of process of another organism
GO:0042130
negative regulation of T cell proliferation
GO:0050482
arachidonate secretion
Cellular Component
GO:0005576
extracellular region
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1bjj
,
PDBe:1bjj
,
PDBj:1bjj
PDBsum
1bjj
PubMed
10666574
UniProt
P14421
|PA2N_GLOHA Neutral phospholipase A2 agkistrodotoxin
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