Structure of PDB 5syj Chain B

Receptor sequence
>5syjB (length=713) Species: 320372 (Burkholderia pseudomallei 1710b) [Search protein sequence]
GTSNRDWWPNQLDLSILHRHSSLSDPMGKDFNYAQAFEKLDLAAVKRDLH
ALMTTSQDWWPADFGHYGGLFIRMAWHSAGTYRTADGRGGAGEGQQRFAP
LNSWPANANLDKARRLLWPIKQKYGRAISWADLLILTGNVALESMGFKTF
GFAGGRADTWEPEDVYWGSEKIWLELSGGPNSRYSGDRQLENPLAAVQMG
LIYVNPEGPDGNPDPVAAARDIRDTFARMAMNDEETVALIAGGHTFGKTH
GAGPASNVGAEPEAAGIEAQGLGWKSAYRTGKGADAITSGLEVTWTTTPT
QWSHNFFENLFGYEWELTKSPAGAHQWVAKGADAVIPDAFDPSKKHRPTM
LTTDLSLRFDPAYEKISRRFHENPEQFADAFARAWFKLTHRDMGPRARYL
GPEVPAEVLLWQDPIPAVDHPLIDAADAAELKAKVLASGLTVSQLVSTAW
AAASTFRGSDKRGGANGARIRLAPQKDWEANQPEQLAAVLETLEAIRTAF
NGAQRGGKQVSLADLIVLAGCAGVEQAAKNAGHAVTVPFAPGRADASQEQ
TDVESMAVLEPVADGFRNYLKGKYRVPAEVLLVDKAQLLTLSAPEMTVLL
GGLRVLGANVGQSRHGVFTAREQALTNDFFVNLLDMGTEWKPTAADADVF
EGRDRATGELKWTGTRVDLVFGSHSQLRALAEVYGSADAQEKFVRDFVAV
WNKVMNLDRFDLA
3D structure
PDB5syj Binding of the antitubercular pro-drug isoniazid in the heme access channel of catalase-peroxidase (KatG). A combined structural and metadynamics investigation.
ChainB
Resolution1.88 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) R108 H112 H279 W330 D389
Catalytic site (residue number reindexed from 1) R73 H77 H244 W295 D354
Enzyme Commision number 1.11.1.21: catalase peroxidase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 HEM B G104 L105 W111 V239 P241 L274 G278 H279 G282 K283 T284 H285 T323 S324 W330 W420 G69 L70 W76 V204 P206 L239 G243 H244 G247 K248 T249 H250 T288 S289 W295 W385
BS02 NIZ B R123 E198 G493 Q622 R88 E163 G458 Q587
BS03 NIZ B R108 W111 H112 R73 W76 H77
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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Cellular Component
External links
PDB RCSB:5syj, PDBe:5syj, PDBj:5syj
PDBsum5syj
PubMed24568093
UniProtQ3JNW6|KATG_BURP1 Catalase-peroxidase (Gene Name=katG)

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