Structure of PDB 8egy Chain B Binding Site BS01

Receptor Information

>8egy Chain B (length=382) Species: 2336 (Thermotoga maritima)

GNFGPYGGQNVPEILMGALEELEAAYEGIMKDESFWKEYNDLLRDYAGRP
TPLYFARRLSEKYGARVYLKREDLLHTGAHKINNAIGQVLLAKLMGKTRI
TAGTGAGQHGVATATAAALFGMECVIYMGEIRQKLNVERMKLLGAKVVPV
KSGSRTLKDAIDEALRDWITNLQTTYYVPGSVVGPHPYPIIVRNFQKVIG
EETKKQIPEKEGRLPDYIVACVSGGSNAAGIFYPFIDSGVKLIGVEAGGE
GLETGKHAASLLKGKIGYLHGSKTFVLQDDWGQVQASHSVSAGLDYPGVG
PEHAYWRETGKVLYDAVTDEEALDAFIELSRLEGIIPALESSHALAYLKK
INIKGKVVVVNLSGRGDKDLESVLNHPYVRER

Ligand information

• Ligand ID: PLP
• InChI: InChI=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)
• InChIKey: NGVDGCNFYWLIFO-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
  OpenEye OEToolkits 1.5.0: Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
  ACDLabs 10.04: O=P(O)(O)OCc1cnc(c(O)c1C=O)C
• Formula: C8 H10 N O6 P
• Name: PYRIDOXAL-5'-PHOSPHATE;
  VITAMIN B6 Phosphate
• ChEMBL: CHEMBL82202
• DrugBank: DB00114
• ZINC: ZINC000001532514
• PDB chain: 8egy Chain B Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8egy Phaser crystallographic software.
• Resolution: 2.05 Å
• Binding residue (original residue number in PDB): H82 K83 S186 G230 S231 N232 E345 S368 G369
• Binding residue (residue number reindexed from 1): H80 K81 S181 G225 S226 N227 E340 S363 G364
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 4.2.1.20: tryptophan synthase.

Gene Ontology

Molecular Function

• GO:0004834 tryptophan synthase activity
• GO:0016829 lyase activity

Biological Process

• GO:0000162 tryptophan biosynthetic process
• GO:0006568 tryptophan metabolic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:8egy, PDBe:8egy, PDBj:8egy
• PDBsum: 8egy
• PubMed: 38744987
• UniProt: P50909|TRPB1_THEMA Tryptophan synthase beta chain 1 (Gene Name=trpB1)