Structure of PDB 8vhh Chain B Binding Site BS01

Receptor Information
>8vhh Chain B (length=377) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KGYFGPYGGQYVPEILMGALEELEAAYEGIMKDESFWKEFNDLLRDYAGR
PTPLYFARRLSEKYGARVYLKREDLLHTGAHKINNAIGQVLLAKLMGKTR
IIAETGAGQHGVATATAAALFGMECVIYMGEEDTIRQKLNVERMKLLGAK
VVPVAIDEALRDWITNLQTTYYVFGSVVGPHPYPIIVRNFQKVIGEETKK
QIPEKEGRLPDYIVACVSGGSNAAGIFYPFIDSGVKLIGVEAGGEGLETG
KHAASLLKGKIGYLHGSKTFVLQDDWGQVQVSHSVSAGLDYSGVGPEHAY
WRETGKVLYDAVTDEEALDAFIELSRLEGIIPALESSHALAYLKKINIKG
KVVVVNLSGRGDKDLESVLNHPYVRER
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 chain8vhh Chain B Residue 401 [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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PDB8vhh A combinatorially complete epistatic fitness landscape in an enzyme active site.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		H82 K83 S186 G230 S231 N232 G298 E345 S368 G369
Binding residue
(residue number reindexed from 1)		H81 K82 S176 G220 S221 N222 G288 E335 S358 G359
Annotation score1
External links
PDB RCSB:8vhh, PDBe:8vhh, PDBj:8vhh
PDBsum8vhh
PubMed39074291
UniProtP50909|TRPB1_THEMA Tryptophan synthase beta chain 1 (Gene Name=trpB1)

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