Structure of PDB 8hfm Chain A Binding Site BS01

Receptor Information
>8hfm Chain A (length=404) Species: 1772 (Mycolicibacterium smegmatis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQSWSAPAIPVVPGRGPALRLFDSADRQVRPVTPGPTATMYVCGITPYDA
THLGHAATYLTFDLVHRLWLDAGHTVQYVQNVTDVDDDGIDWRTLGDRET
QLFREDMAALRVLPPHDYVAATDAIAEVVEMVEKLLASGAAYIVEDAEYP
DVYFRADATAQFGYESGYDRDTMLTLFAERGGDPDRPGKSDQLDALLWRA
ERPGEPSWPSPFGRGRPGWHVECSAIALTRIGTGLDIQGGGSDLIFPHHE
YSAAHAESVTGERRFARHYVHTGMIGWDGHKMSKSRGNLVLVSQLRAQGV
DPSAIRLGLFSGHYREDRFWSNEVLDEANARLARWRSATALPEAPDATDV
IARVRQYLADDLDTPKALAALDGWCTDALSYGGHDTESPRLVATTVDALL
GVDL
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain8hfm Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8hfm Structural Basis of Cysteine Ligase MshC Inhibition by Cysteinyl-Sulfonamides.
Resolution2.41 Å
Binding residue
(original residue number in PDB)		C43 C231 H256
Binding residue
(residue number reindexed from 1)		C43 C223 H248
Annotation score1
Enzymatic activity
Enzyme Commision number 6.3.1.13: L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase.
Gene Ontology
Molecular Function
GO:0004817 cysteine-tRNA ligase activity
GO:0005524 ATP binding
GO:0008270 zinc ion binding
GO:0016874 ligase activity
GO:0035446 cysteine-glucosaminylinositol ligase activity
GO:0046872 metal ion binding
Biological Process
GO:0006423 cysteinyl-tRNA aminoacylation
GO:0010125 mycothiol biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8hfm, PDBe:8hfm, PDBj:8hfm
PDBsum8hfm
PubMed36499418
UniProtA0QZY0|MSHC_MYCS2 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase (Gene Name=mshC)

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