Structure of PDB 7wiw Chain A Binding Site BS03

Receptor Information
>7wiw Chain A (length=570) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SWRAQAASRLLAPLKLPLVLSGVLAALVTLAQLAPFVLLVELSRLLVSGA
GAHRLFTVGFAAVGLLGTGALLAAALTLWLHVIDARFARALRLRLLSKLS
RLPLGWFTSRGSGSIKKLVTDDTLALHYLVTHAVPDAVAAVVAPVGVLVY
LFVVDWRVALVLFGPVLVYLTITSSLTIQSGPRIVQAQRWAEKMNGEAGS
YLEGQPVIRVFGAASSSFRRRLDEYIGFLVAWQRPLAGKKTLMDLATRPA
TFLWLIAATGTLLVATHRMDPVNLLPFMFLGTTFGARLLGIAYGLGGLRT
GLLAARHLQVTLDETELAVREHPREPLDGEAPATVVFDHVTFGYRPGVPV
IQDVSLTLRPGTVTALVGPSGSGKSTLATLLARFHDVERGAIRVGGQDIR
SLAADELYTRVGFVLQEAQLVHGTAAENIALAVPDAPAEQVQVAAREAQI
HDRVLRLPDGYDTVLGANSGLSGGERQRLTIARAILGDTPVLILDQATAF
ADPESEYLVQQALNRLTRDRTVLVIAHRLHTITRADQIVVLDHGRIVERG
THEELLAAGGRYCRLWDTGQ
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain7wiw Chain A Residue 902 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7wiw Cryo-EM structure of Mycobacterium tuberculosis irtAB complexed with ATP in an occluded conformation
Resolution3.12 Å
Binding residue
(original residue number in PDB)		S650 Q691
Binding residue
(residue number reindexed from 1)		S375 Q416
Annotation score1
Enzymatic activity
Enzyme Commision number 7.2.2.-
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0015343 siderophore-iron transmembrane transporter activity
GO:0016491 oxidoreductase activity
GO:0016887 ATP hydrolysis activity
GO:0042626 ATPase-coupled transmembrane transporter activity
GO:0071949 FAD binding
GO:0140359 ABC-type transporter activity
Biological Process
GO:0006879 intracellular iron ion homeostasis
GO:0010106 cellular response to iron ion starvation
GO:0033214 siderophore-dependent iron import into cell
GO:0044718 siderophore transmembrane transport
GO:0044847 iron acquisition from host
GO:0055085 transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7wiw, PDBe:7wiw, PDBj:7wiw
PDBsum7wiw
PubMed36882106
UniProtP9WQJ9|IRTA_MYCTU Mycobactin import ATP-binding/permease protein IrtA (Gene Name=irtA)

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