Structure of PDB 8hfn Chain A

Receptor sequence

>8hfnA (length=413) Species: 246196 (Mycolicibacterium smegmatis MC2 155)

GMQSWSAPAIPVVPGRGPALRLFDSADRQVRPVTPGPTATMYVCGITPYD
ATHLGHAATYLTFDLVHRLWLDAGHTVQYVQNVTDVDDPLFERAERDGID
WRTLGDRETQLFREDMAALRVLPPHDYVAATDAIAEVVEMVEKLLASGAA
YIVEDAEYPDVYFRADATAQFGYESGYDRDTMLTLFAERGGDPDRPGKSD
QLDALLWRAERPGEPSWPSPFGRGRPGWHVECSAIALTRIGTGLDIQGGG
SDLIFPHHEYSAAHAESVTGERRFARHYVHTGMIGWDGHKMSKSRGNLVL
VSQLRAQGVDPSAIRLGLFSGHYREDRFWSNEVLDEANARLARWRSATAL
PEAPDATDVIARVRQYLADDLDTPKALAALDGWCTDALSYGGHDTESPRL
VATTVDALLGVDL

3D structure

• PDB: 8hfn Structural Basis of Cysteine Ligase MshC Inhibition by Cysteinyl-Sulfonamides.
• Chain: A
• Resolution: 1.98 Å

Enzymatic activity

• Enzyme Commision number: 6.3.1.13: L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase.

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	XGC	A	C43 G44 I45 T46 G54 H55 Y59 T83 W227 K289	C44 G45 I46 T47 G55 H56 Y60 T84 W228 K290
BS02	ZN	A	C43 C231 H256	C44 C232 H257
BS03	CA	A	E351 H392	E352 H393

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

External links

• PDB: RCSB:8hfn, PDBe:8hfn, PDBj:8hfn
• PDBsum: 8hfn
• PubMed: 36499418
• UniProt: A0QZY0|MSHC_MYCS2 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase (Gene Name=mshC)