Structure of PDB 5b87 Chain B Binding Site BS01

Receptor Information
>5b87 Chain B (length=401) 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
K
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 chain5b87 Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5b87 Catalytic Intermediate Crystal Structures of Cysteine Desulfurase from the ArchaeonThermococcus onnurineus NA1.
Resolution2.28 Å
Binding residue
(original residue number in PDB)		G267 T268
Binding residue
(residue number reindexed from 1)		G270 T271
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:5b87, PDBe:5b87, PDBj:5b87
PDBsum5b87
PubMed28536498
UniProtB6YT87

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