Structure of PDB 7e6c Chain A Binding Site BS01

Receptor Information
>7e6c Chain A (length=413) Species: 224308 (Bacillus subtilis subsp. subtilis str. 168) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMNITDIREQFPILHQQVNGHDLVYLDSAATSQKPRAVIETLDKYYNQYN
SNVHRGVHTLGTRATDGYEGAREKVRKFINAKSMAEIIFTKGTTTSLNMV
ALSYARANLKPGDEVVITYMEHHANIIPWQQAVKATGATLKYIPLQEDGT
ISLEDVRETVTSNTKIVAVSHVSNVLGTVNPIKEMAKIAHDNGAVIVVDG
AQSTPHMKIDVQDLDCDFFALSSHKMCGPTGVGVLYGKKALLENMEPAEF
GGEMIDFVGLYESTWKELPWKFEAGTPIIAGAIGLGAAIDFLEEIGLDEI
SRHEHKLAAYALERFRQLDGVTVYGPEERAGLVTFNLDDVHPHDVATVLD
AEGIAVRAGHHAAQPLMKWLDVTATARASFYLYNTEEEIDKLVEALQKTK
EYFTNVFVDLEHH
Ligand information
Ligand ID7TS
InChIInChI=1S/C11H14N3O7P/c1-6-10(15)8(3-13-9-5-20-14-11(9)16)7(2-12-6)4-21-22(17,18)19/h2,5,13,15H,3-4H2,1H3,(H,14,16)(H2,17,18,19)
InChIKeyPXWFNGNWQUPGPJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=CONC2=O)O
CACTVS 3.385Cc1ncc(CO[P](O)(O)=O)c(CNC2=CONC2=O)c1O
ACDLabs 12.01n2c(C)c(O)c(CNC=1C(=O)NOC=1)c(c2)COP(O)(O)=O
FormulaC11 H14 N3 O7 P
Name(5-hydroxy-6-methyl-4-{[(3-oxo-2,3-dihydro-1,2-oxazol-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate
ChEMBL
DrugBankDB03097
ZINCZINC000002046808
PDB chain7e6c Chain A Residue 515 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7e6c Cycloserine enantiomers inhibit PLP-dependent cysteine desulfurase SufS via distinct mechanisms.
Resolution1.73 Å
Binding residue
(original residue number in PDB)		A28 A29 T92 T93 H121 N173 D198 A200 S221 H223 K224 R356 R376
Binding residue
(residue number reindexed from 1)		A29 A30 T93 T94 H122 N174 D199 A201 S222 H224 K225 R357 R377
Annotation score1
Enzymatic activity
Enzyme Commision number 2.8.1.7: cysteine desulfurase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0005515 protein binding
GO:0016740 transferase activity
GO:0030170 pyridoxal phosphate binding
GO:0031071 cysteine desulfurase activity
Biological Process
GO:0006534 cysteine metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7e6c, PDBe:7e6c, PDBj:7e6c
PDBsum7e6c
PubMed35395703
UniProtO32164|SUFS_BACSU Cysteine desulfurase SufS (Gene Name=sufS)

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