Structure of PDB 6cdq Chain B Binding Site BS03

Receptor Information
>6cdq Chain B (length=713) Species: 320372 (Burkholderia pseudomallei 1710b) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTSNRDWWPNQLDLSILHRHSSLSDPMGKDFNYAQAFEKLDLAAVKRDLH
ALMTTSQDWWPADFGHYGGLFIRMAWHSAGTYRTADGRGGAGEGQQRFAP
LNSWPDNANLDKARRLLWPIKQKYGRAISWADLLILTGNVALESMGFKTF
GFAGGRADTWEPEDVYFGSEKIWLELSGGPNSRYSGDRQLENPLAAVQMG
LIYVNPEGPDGNPDPVAAARDIRDTFARMAMNDEETVALIAGGHTFGKTH
GAGPASNVGAEPEAAGIEAQGLGWKSAYRTGKGADAITSGLEVTWTTTPT
QWSHNFFENLFGYEWELTKSPAGAHQWVAKGADAVIPDAFDPSKKHRPTM
LTTDLSLRFDPAYEKISRRFHENPEQFADAFARAWFKLTHRDMGPRARYL
GPEVPAEVLLWQDPIPAVDHPLIDAADAAELKAKVLASGLTVSQLVSTAW
AAASTFRGSDKRGGANGARIRLAPQKDWEANQPEQLAAVLETLEAIRTAF
NGAQRGGKQVSLADLIVLAGCAGVEQAAKNAGHAVTVPFAPGRADASQEQ
TDVESMAVLEPVADGFRNYLKGKYRVPAEVLLVDKAQLLTLSAPEMTVLL
GGLRVLGANVGQSRHGVFTAREQALTNDFFVNLLDMGTEWKPTAADADVF
EGRDRATGELKWTGTRVDLVFGSHSQLRALAEVYGSADAQEKFVRDFVAV
WNKVMNLDRFDLA
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 chain6cdq Chain B Residue 808 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6cdq Crystal structure of the W202F variant of catalase-peroxidase from B. pseudomallei with INH bound.
Resolution1.92 Å
Binding residue
(original residue number in PDB)		R123 E198 G493 S494 Q622
Binding residue
(residue number reindexed from 1)		R88 E163 G458 S459 Q587
Annotation score1
Enzymatic activity
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:6cdq, PDBe:6cdq, PDBj:6cdq
PDBsum6cdq
PubMed
UniProtQ3JNW6|KATG_BURP1 Catalase-peroxidase (Gene Name=katG)

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