Structure of PDB 6j2l Chain B Binding Site BS01

Receptor Information

>6j2l Chain B (length=185) Species: 623 (Shigella flexneri)

TEQQRRELDWEKTDGLMPVIVQHAVSGEVLMLGYMNPEALDKTIESGKVT
FFSRTKQRLWIKGETSGNFLNVVSIAPDCDNDTLLVLANPIGPSSCFGNT
AHQWLFLYQLEQLLAERKYADLYASGTKRIAQKVGEEGVETALAATVHDR
FELTNEASDLMYHLLVLLQDQDLDLTTVIENLHKR

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 6j2l Chain B Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6j2l Structural analysis of Shigella flexneri bi-functional enzyme HisIE in histidine biosynthesis.
• Resolution: 2.17 Å
• Binding residue (original residue number in PDB): E153 E156 E172 D175
• Binding residue (residue number reindexed from 1): E137 E140 E156 D159
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.5.4.19: phosphoribosyl-AMP cyclohydrolase.
  3.6.1.31: phosphoribosyl-ATP diphosphatase.

Gene Ontology

Molecular Function

• GO:0004635 phosphoribosyl-AMP cyclohydrolase activity
• GO:0004636 phosphoribosyl-ATP diphosphatase activity
• GO:0005524 ATP binding
• GO:0016787 hydrolase activity

Biological Process

• GO:0000105 L-histidine biosynthetic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:6j2l, PDBe:6j2l, PDBj:6j2l
• PDBsum: 6j2l
• PubMed: 31235255
• UniProt: P37793|HIS2_SHIFL Histidine biosynthesis bifunctional protein HisIE (Gene Name=hisI)