Structure of PDB 5gj9 Chain A Binding Site BS02

Receptor Information
>5gj9 Chain A (length=298) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KFPVVDLSKLNGEERDQTMALINEACENWGFFEIVNHGLPHDLMDKIEKM
TKDHYKTCQEQKFNDMLKSKGLDNLETEVEDVDWESTFYVRHLPQSNLND
ISDVSDEYRTAMKDFGKRLENLAEDLLDLLCENLGLEKGYLKKVFHGTKG
PTFGTKVSNYPPCPKPEMIKGLRAHTDAGGIILLFQDDKVSGLQLLKDGD
WIDVPPLNHSIVINLGDQLEVITNGKYKSVLHRVVTQQEGNRMSVASFYN
PGSDAEISPATSLVEKDSEYPSFVFDDYMKLYAGVKFQPKEPRFAAMK
Ligand information
Ligand IDVGL
InChIInChI=1S/C5H4N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3H,(H,8,9)
InChIKeyNIPZZXUFJPQHNH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)c1nccnc1
OpenEye OEToolkits 1.6.1c1cnc(cn1)C(=O)O
CACTVS 3.352OC(=O)c1cnccn1
FormulaC5 H4 N2 O2
NamePYRAZINE-2-CARBOXYLIC ACID;
PYRAZINOIC ACID
ChEMBLCHEMBL613
DrugBank
ZINCZINC000001081066
PDB chain5gj9 Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5gj9 Pyrazinamide and derivatives block ethylene biosynthesis by inhibiting ACC oxidase.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		K161 L177 H180 D182 L189 H237 A251
Binding residue
(residue number reindexed from 1)		K156 L172 H175 D177 L184 H232 A246
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=4.99,Kd=10.2uM
Enzymatic activity
Catalytic site (original residue number in PDB) K161 H180 D182 H237
Catalytic site (residue number reindexed from 1) K156 H175 D177 H232
Enzyme Commision number 1.14.17.4: aminocyclopropanecarboxylate oxidase.
Gene Ontology
Molecular Function
GO:0005507 copper ion binding
GO:0009815 1-aminocyclopropane-1-carboxylate oxidase activity
GO:0016491 oxidoreductase activity
GO:0031418 L-ascorbic acid binding
GO:0046872 metal ion binding
Biological Process
GO:0006952 defense response
GO:0009693 ethylene biosynthetic process
GO:0009727 detection of ethylene stimulus
GO:0010030 positive regulation of seed germination
GO:0071398 cellular response to fatty acid
GO:0071732 cellular response to nitric oxide
Cellular Component
GO:0005634 nucleus
GO:0005783 endoplasmic reticulum
GO:0005794 Golgi apparatus
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0009505 plant-type cell wall
GO:0009506 plasmodesma

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5gj9, PDBe:5gj9, PDBj:5gj9
PDBsum5gj9
PubMed28604689
UniProtQ41931|ACCO2_ARATH 1-aminocyclopropane-1-carboxylate oxidase 2 (Gene Name=ACO2)

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