Structure of PDB 7cep Chain A Binding Site BS01

Receptor Information
>7cep Chain A (length=414) 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]
GHMNITDIREQFPILHQQVNGHDLVYLDSAATSQKPRAVIETLDKYYNQY
NSNVHRGVHTLGTRATDGYEGAREKVRKFINAKSMAEIIFTKGTTTSLNM
VALSYARANLKPGDEVVITYMEHHANIIPWQQAVKATGATLKYIPLQEDG
TISLEDVRETVTSNTKIVAVSHVSNVLGTVNPIKEMAKIAHDNGAVIVVD
GAQSTPHMKIDVQDLDCDFFALSSHKMCGPTGVGVLYGKKALLENMEPAE
FGGEMIDFVGLYESTWKELPWKFEAGTPIIAGAIGLGAAIDFLEEIGLDE
ISRHEHKLAAYALERFRQLDGVTVYGPEERAGLVTFNLDDVHPHDVATVL
DAEGIAVRAGHHCAQPLMKWLDVTATARASFYLYNTEEEIDKLVEALQKT
KEYFTNVFVDLEHH
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 chain7cep Chain A Residue 507 [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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PDB7cep Cycloserine enantiomers inhibit PLP-dependent cysteine desulfurase SufS via distinct mechanisms.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		A28 A29 T92 T93 H121 N173 D198 A200 S221 H223 K224 R376
Binding residue
(residue number reindexed from 1)		A30 A31 T94 T95 H123 N175 D200 A202 S223 H225 K226 R378
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:7cep, PDBe:7cep, PDBj:7cep
PDBsum7cep
PubMed35395703
UniProtO32164|SUFS_BACSU Cysteine desulfurase SufS (Gene Name=sufS)

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