Structure of PDB 7nkz Chain A Binding Site BS01

Receptor Information
>7nkz Chain A (length=455) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNVVDISRWQFGITTVYHFIFVPLTIGLAPLIAVMQTLWVVTDNPAWYRL
TKFFGKLFLINFAIGVATGIVQEFQFGMNWSEYSRFVGDVFGAPLAMEGL
AAFFFESTFIGLWIFGWNRLPRLVHLACIWIVAIAVNVSAFFIIAANSFM
QHPVGAHYNPTTGRAELSSIVVLLTNNTAQAAFTHTVSGALLTAGTFVAA
VSAWWLVRSSTDTQAMYRPATILGCWVALAATAGLLFTGDHQGKLMFQQQ
PMKMASAESLCDTQTDPNFSVLTVGRQNNCDSLTRVIEVPYVLPFLAEGR
ISGVTLQGIRDLQQEYQQRFGPNDYRPNLFVTYWSFRMMIGLMAIPVLFA
LIALWLTRGGQIPNQRWFSWLALLTMPAPFLANSAGWVFTEMGRQPWVVV
PNPTGDQLVRLTVKAGVSDHSATVVATSLLMFTLVYAVLAVIWCWLLKRY
IVEGP
Ligand information
Ligand IDOXY
InChIInChI=1S/O2/c1-2
InChIKeyMYMOFIZGZYHOMD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		O=O
FormulaO2
NameOXYGEN MOLECULE
ChEMBLCHEMBL1234886
DrugBankDB09140
ZINC
PDB chain7nkz Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7nkz The cryo-EM structure of the bd oxidase from M. tuberculosis reveals a unique structural framework and enables rational drug design to combat TB.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		E98 F103 I143
Binding residue
(residue number reindexed from 1)		E98 F103 I143
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0016682 oxidoreductase activity, acting on diphenols and related substances as donors, oxygen as acceptor
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0019646 aerobic electron transport chain
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0070069 cytochrome complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7nkz, PDBe:7nkz, PDBj:7nkz
PDBsum7nkz
PubMed34475399
UniProtL7N662

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