Structure of PDB 1apx Chain D Binding Site BS01
Receptor Information
>1apx Chain D (length=249) Species:
3888
(Pisum sativum) [
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GKSYPTVSPDYQKAIEKAKRKLRGFIAEKKCAPLILRLAWHSAGTFDSKT
KTGGPFGTIKHQAELAHGANNGLDIAVRLLEPIKEQFPIVSYADFYQLAG
VVAVEITGGPEVPFHPGREDKPEPPPEGRLPDATKGSDHLRDVFGKAMGL
SDQDIVALSGGHTIGAAHKERSGFEGPWTSNPLIFDNSYFTELLTGEKDG
LLQLPSDKALLTDSVFRPLVEKYAADEDVFFADYAEAHLKLSELGFAEA
Ligand information
Ligand ID
HEM
InChI
InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
InChIKey
KABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
CACTVS 3.385
CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C
ACDLabs 12.01
C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)\C=C)C)\C=C)C)C)CCC(=O)O
Formula
C34 H32 Fe N4 O4
Name
PROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBank
DB18267
ZINC
PDB chain
1apx Chain D Residue 251 [
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Receptor-Ligand Complex Structure
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PDB
1apx
Crystal structure of recombinant pea cytosolic ascorbate peroxidase.
Resolution
2.2 Å
Binding residue
(original residue number in PDB)
P34 W41 A134 F145 L159 H163 G166 A167 A168 H169 R172 S173 W179
Binding residue
(residue number reindexed from 1)
P33 W40 A133 F144 L158 H162 G165 A166 A167 H168 R171 S172 W178
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
R38 H42 L66 H163 W179 D208
Catalytic site (residue number reindexed from 1)
R37 H41 L65 H162 W178 D207
Enzyme Commision number
1.11.1.11
: L-ascorbate peroxidase.
Gene Ontology
Molecular Function
GO:0004601
peroxidase activity
GO:0016688
L-ascorbate peroxidase activity
GO:0020037
heme binding
GO:0046872
metal ion binding
Biological Process
GO:0000302
response to reactive oxygen species
GO:0006979
response to oxidative stress
GO:0034599
cellular response to oxidative stress
GO:0042744
hydrogen peroxide catabolic process
GO:0098869
cellular oxidant detoxification
Cellular Component
GO:0005737
cytoplasm
GO:0009507
chloroplast
View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:1apx
,
PDBe:1apx
,
PDBj:1apx
PDBsum
1apx
PubMed
7703247
UniProt
P48534
|APX1_PEA L-ascorbate peroxidase, cytosolic (Gene Name=APX1)
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