Structure of PDB 3wxo Chain A Binding Site BS02

Receptor Information
>3wxo Chain A (length=710) Species: 1140 (Synechococcus elongatus PCC 7942 = FACHB-805) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MHGGATTVNISTAEWWPKALNLDILSQHDRKTNPMGPDFNYQEEVKKLDV
AALKQDLQALMTDSQDWWPADWGHYGGLMIRLTWHAAGTYRIADGRGGAG
TGNQRFAPLNSWPDNTNLDKARRLLWPIKQKYGNKLSWADLIAYAGTIAY
ESMGLKTFGFAFGREDIWHPEKDIYWGPEKEWVPPSTNPNSRYTGDRELE
NPLAAVTMGLIYVNPEGVDGNPDPLKTAHDVRVTFARMAMNDEETVALTA
GGHTVGKCHGNGNAALLGPEPEGADVEDQGLGWINKTQSGIGRNAVTSGL
EGAWTPHPTQWDNGYFRMLLNYDWELKKSPAGAWQWEPINPREEDLPVDV
EDPSIRRNLVMTDADMAMKMDPEYRKISERFYQDPAYFADVFARAWFKLT
HRDMGPKARYIGPDVPQEDLIWQDPIPAGNRNYDVQAVKDRIAASGLSIS
ELVSTAWDSARTYRNSDKRGGANGARIRLAPQKDWEGNEPDRLAKVLAVL
EGIAAATGASVADVIVLAGNVGVEQAARAAGVEIVLPFAPGRGDATAEQT
DTESFAVLEPIHDGYRNWLKQDYAATPEELLLDRTQLLGLTAPEMTVLIG
GLRVLGTNHGGTKHGVFTDREGVLTNDFFVNLTDMNYLWKPAGKNLYEIC
DRKTNQVKWTATRVDLVFGSNSILRAYSELYAQDDNKEKFVRDFVAAWTK
VMNADRFDLD
Ligand information
Ligand IDNIZ
InChIInChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)
InChIKeyQRXWMOHMRWLFEY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cnccc1C(=O)NN
ACDLabs 12.01O=C(NN)c1ccncc1
CACTVS 3.370NNC(=O)c1ccncc1
FormulaC6 H7 N3 O
Namepyridine-4-carbohydrazide;
isonicotinic acid hydrazid
ChEMBLCHEMBL64
DrugBankDB00951
ZINCZINC000000001590
PDB chain3wxo Chain A Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3wxo The crystal structure of isoniazid-bound KatG catalase-peroxidase from Synechococcus elongatus PCC7942.
Resolution2.12 Å
Binding residue
(original residue number in PDB)		W77 W78 K130 I294 G300
Binding residue
(residue number reindexed from 1)		W67 W68 K120 I284 G290
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R91 H95 H263 W314 D375
Catalytic site (residue number reindexed from 1) R81 H85 H253 W304 D365
Enzyme Commision number 1.11.1.21: catalase peroxidase.
Gene Ontology
Molecular Function
GO:0004096 catalase activity
GO:0004601 peroxidase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0006979 response to oxidative stress
GO:0042744 hydrogen peroxide catabolic process
GO:0070301 cellular response to hydrogen peroxide
GO:0098869 cellular oxidant detoxification
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3wxo, PDBe:3wxo, PDBj:3wxo
PDBsum3wxo
PubMed25303560
UniProtQ31MN3|KATG_SYNE7 Catalase-peroxidase (Gene Name=katG)

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