Structure of PDB 5b89 Chain A Binding Site BS02

Receptor Information
>5b89 Chain A (length=400) Species: 523850 (Thermococcus onnurineus NA1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MASMRIPEDVRKDIPLTNEVIYFDNTATSLTPKPVVEAMDEYYLKYRANV
HRGVHRLSQMATHKYEESRKIVADFIGAKFEEIVFTKNTSESLNLVALGL
GHIFKRGDKIVTTPYEHHSDLLPWQRLATKLGLKLEFIEGDDEGNLDLSD
AEKKIKGAKLVAVQHVSNALGVIHEVEELGKIAKDEGAIFVVDAAQSAGH
MEVNVKKLHADFLAFSGHKGPMGPTGIGVLYIREEFFDTFEPPLIGGGTI
EDVSLDGYKLTEPPERFEAGTPNIGGAIGLAAGIRYIERIGLGRIERQEH
KLVKRTTEGLDELEVPWYGPRNLKKHAGVVSFNVPGLHPHDVAAILDDHS
IMVRSGHHCALPVMKKLGINGTVRASFHVYNSLEEVETFLGVMEELVKGL
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 chain5b89 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5b89 Catalytic Intermediate Crystal Structures of Cysteine Desulfurase from the ArchaeonThermococcus onnurineus NA1.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		N85 T86 S87 H114 D190 A192 Q193 S213 K216
Binding residue
(residue number reindexed from 1)		N88 T89 S90 H117 D193 A195 Q196 S216 K219
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H114 D190 A192 Q193 K216 R351 C356
Catalytic site (residue number reindexed from 1) H117 D193 A195 Q196 K219 R354 C359
Enzyme Commision number 2.8.1.7: cysteine desulfurase.
Gene Ontology
Molecular Function
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:5b89, PDBe:5b89, PDBj:5b89
PDBsum5b89
PubMed28536498
UniProtB6YT87

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