Structure of PDB 2iwa Chain A Binding Site BS01

Receptor Information
>2iwa Chain A (length=254) Species: 3649 (Carica papaya) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPSSRVYIVEVLNEFPHDPYAFTQGLVYAENDTLFESTGLYGRSSVRQVA
LQTGKVENIHKMDDSYFGEGLTLLNEKLYQVVWLKNIGFIYDRRTLSNIK
NFTHQMKDGWGLATDGKILYGSDGTSILYEIDPHTFKLIKKHNVKYNGHR
VIRLNELEYINGEVWANIWQTDCIARISAKDGTLLGWILLPNLRKKLIDE
GFRDIDVLNGIAWDQENKRIFVTGKLWPKLFEIKLHLVRHRIPDGYIERH
CLNL
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain2iwa Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2iwa Papaya Glutamine Cyclotransferase Shows a Singular Five-Fold Beta-Propeller Architecture that Suggests a Novel Reaction Mechanism.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		L48 E178 L179 E180 I233
Binding residue
(residue number reindexed from 1)		L26 E156 L157 E158 I211
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.2.5: glutaminyl-peptide cyclotransferase.
Gene Ontology
Molecular Function
GO:0016603 glutaminyl-peptide cyclotransferase activity
GO:0016746 acyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0017186 peptidyl-pyroglutamic acid biosynthetic process, using glutaminyl-peptide cyclotransferase

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Molecular Function
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Biological Process
External links
PDB RCSB:2iwa, PDBe:2iwa, PDBj:2iwa
PDBsum2iwa
PubMed17081122
UniProtO81226

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