Structure of PDB 7d2j Chain A Binding Site BS01

Receptor Information
>7d2j Chain A (length=326) Species: 6945 (Ixodes scapularis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LKWPRDLRPLAHHDLLYMGQISEEDRGDFNATLRNFLVPRVVGSQKHREV
REFIVRSLKDLDWDVEEDCFDGQTPHGIKPFCNVIATLNPSACHRLVLAC
HYDSLLHKEGTFIGATDSAVPCAQLLYLARSLNGKLQNQKTRGDGLTLQL
VFFDGEEAFERWSSHDSLYGSRHLAQKWHEDRTSAERLESCLERSEIANQ
IDRMEVMVLLDLLGAENPRFYSYFGETQPVYRRLVNIESRLNDAGLMELP
RRRRRTNYFSNSSTVGFIEDDHIPFLKRSVPIVHIIPSPFPDVWHTLDDN
EQNLHHPTISNLNKIFKAFVSEYLQL
Ligand information
Ligand IDBCT
InChIInChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1
InChIKeyBVKZGUZCCUSVTD-UHFFFAOYSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(=O)(O)[O-]
CACTVS 3.341OC([O-])=O
ACDLabs 10.04[O-]C(=O)O
FormulaC H O3
NameBICARBONATE ION
ChEMBL
DrugBank
ZINC
PDB chain7d2j Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7d2j A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		E183 E184
Binding residue
(residue number reindexed from 1)		E156 E157
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.2.5: glutaminyl-peptide cyclotransferase.
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
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
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7d2j, PDBe:7d2j, PDBj:7d2j
PDBsum7d2j
PubMed33774034
UniProtB7QK46|QPCT_IXOSC Glutaminyl-peptide cyclotransferase (Gene Name=Qptc)

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