Structure of PDB 6gj9 Chain A Binding Site BS02

Receptor Information
>6gj9 Chain A (length=504) Species: 4565 (Triticum aestivum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PASTLEGPSRPVTVPLRGHAVDLPDTDPRVQRRVTGWAPEQIAVALSAAP
TSAWVSWITGDFQMGGAVKPLDPGTVGSVVRYGLAADSLVREATGDALVY
SQLYPFEGLQNYTSGIIHHVRLQGLEPGTKYYYQCGDPSIPGAMSAVHAF
RTMPAVGPRSYPGRIAVVGDLGLTYNTTSTVEHMASNQPDLVLLLGDVSY
ANLYLTNGTGTDCYSCSFAKSTPIHETYQPRWDYWGRYMEPVTSSTPMMV
VEGNHEIEQQIGNKTFAAYSARFAFPSMESESFSPFYYSFDAGGIHFIML
AAYADYSKSGEQYRWLEKDLAKVDRSVTPWLVAGWHAPWYSTYKAHYREA
ECMRVAMEELLYSYGLDIVFTGHVHAYERSNRVFNYTLDPCGAVHISVGD
GGNREKMATTHADDPGRCPEPMSTPDAFMGGFCAFNFTSGPAAGSFCWDR
QPDYSAYRESSFGHGILEVKNETHALWKWHRNQDLYQGAVGDEIYIVREP
ERCL
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain6gj9 Chain A Residue 602 [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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PDB6gj9 Crystal structure of a cereal purple acid phytase provides insights to phytate degradation in plants
Resolution1.76 Å
Binding residue
(original residue number in PDB)		D201 N258 H340 H377
Binding residue
(residue number reindexed from 1)		D197 N254 H336 H373
Annotation score1
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 N254 H255 H336 A345 H346 H373 H375
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

View graph for
Molecular Function
External links
PDB RCSB:6gj9, PDBe:6gj9, PDBj:6gj9
PDBsum6gj9
PubMed
UniProtF6MIW5

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