Structure of PDB 5xt5 Chain B Binding Site BS01

Receptor Information
>5xt5 Chain B (length=405) 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]
MNITDIREQFPILHQQVNGHDLVYLDSAATSQKPRAVIETLDKYYNQYNS
NVHRGVHTLGTRATDGYEGAREKVRKFINAKSMAEIIFTKGTTTSLNMVA
LSYARANLKPGDEVVITYMEHHANIIPWQQAVKATGATLKYIPLQEDGTI
SLEDVRETVTSNTKIVAVSHVSNVLGTVNPIKEMAKIAHDNGAVIVVDGA
QSTPHMKIDVQDLDCDFFALSSHKMCGPTGVGVLYGKKALLENMEPAEFG
GEMIDFVGLYESTWKELPWKFEAGTPIIAGAIGLGAAIDFLEEIGLDEIS
RHEHKLAAYALERFRQLDGVTVYGPEERAGLVTFNLDDVHPHDVATVLDA
EGIAVRAGHHCAQPLMKWLDVTATARASFYLYNTEEEIDKLVEALQKTKE
YFTNV
Ligand information
Ligand IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain5xt5 Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5xt5 Zinc-Ligand Swapping Mediated Complex Formation and Sulfur Transfer between SufS and SufU for Iron-Sulfur Cluster Biogenesis in Bacillus subtilis
Resolution2.34 Å
Binding residue
(original residue number in PDB)		T93 H121 D198 A200 Q201 S221 H223 K224
Binding residue
(residue number reindexed from 1)		T93 H121 D198 A200 Q201 S221 H223 K224
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

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Molecular Function
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Biological Process
External links
PDB RCSB:5xt5, PDBe:5xt5, PDBj:5xt5
PDBsum5xt5
PubMed29235855
UniProtO32164|SUFS_BACSU Cysteine desulfurase SufS (Gene Name=sufS)

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