Structure of PDB 6gja Chain A Binding Site BS01

Receptor Information

>6gja Chain A (length=492) Species: 4565 (Triticum aestivum)

EPASTLEGPSRPVTVPLRHAVDLPDTDPRVQRRVTGWAPEQIAVALSAAP
TSAWVSWITGDFQMGGAVKPLDPGTVGSVVRYGLAADSLVREATGDALVY
SQLYPFEGLQNYTSGIIHHVRLQGLEPGTKYYYQCGDPSIPGAMSAVHAF
RTMPAVGPRSYPGRIAVVGDLGLTYNTTSTVEHMASNQPDLVLLLGDVSY
ANLYLTNGTGTIAETYQPRWDYWGRYMEPVTSSTPMMVVEGNHEIEQQIG
NKTFAAYSARFAFPSMESESFSPFYYSFDAGGIHFIMLAAYADYSKSGEQ
YRWLEKDLAKVDRSVTPWLVAGWHAPWYSTYKAHYREAECMRVAMEELLY
SYGLDIVFTGHVHAYERSNRVFNYTLDPCGAVHISVGDGGNREKMATTHA
DDPGRCPEPMSTPDAFMGGFCAFNFTSGPAAGSFCWDRQPDYSAYRESSF
GHGILEVKNETHALWKWHRNQDLYQGAVGDEIYIVREPERCL

Ligand information

• Ligand ID: FE
• InChI: InChI=1S/Fe/q+3
• InChIKey: VTLYFUHAOXGGBS-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Fe+3]
• Formula: Fe
• Name: FE (III) ION
• DrugBank: DB13949
• PDB chain: 6gja Chain A Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6gja Structure of a cereal purple acid phytase provides new insights to phytate degradation in plants.
• Resolution: 1.5 Å
• Binding residue (original residue number in PDB): D174 D201 Y204 H379
• Binding residue (residue number reindexed from 1): D170 D197 Y200 H363
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D174 D201 Y204 N258 H259 H340 A349 H350 H377 H379
• Catalytic site (residue number reindexed from 1): D170 D197 Y200 N242 H243 H324 A333 H334 H361 H363
• Enzyme Commision number: 3.1.3.2: acid phosphatase.

Gene Ontology

Molecular Function

• GO:0003993 acid phosphatase activity
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding

External links

• PDB: RCSB:6gja, PDBe:6gja, PDBj:6gja
• PDBsum: 6gja
• PubMed: 35529950
• UniProt: F6MIW5