Structure of PDB 4wcn Chain A Binding Site BS01

Receptor Information
>4wcn Chain A (length=414) Species: 563041 (Helicobacter pylori G27) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMEMIEKAPTDLEDRDKAPHLLLLAGIQGDEPGGFNATNLFLMHYSVLKG
LVEVVPVLNKPSMLRNHRGLYGDMNRKFAALDKKDPEYPTIQEIKSLIAK
PNIDAVLHLHDGGGYYRPVYVDAMLNPKRWGNCFIIDQDEVKGAKFPNLL
AFANNTIESINAHLLHPIEEYHLKNTRTAQGDTEMQKALTFYAINQKKSA
FANEASKELPLASRVFYHLQAIEGLLNQLNIPFKRDFELNPSSVHALIND
KSLWAKISSLPKIPLFNLRPRLNHFPLPHNTKIPQIPIESNAYIVGLVKN
KQEVFLKYGNKLMTRLSPFYIEFDPSLEEVKMQIDNKDQMVKIGSVVEVK
ESFYIHAMDNIRANVIGFSVNEAGYTIRFKDFQKRFSLDKQERIYRIEFY
KNNAFSGMILVKFV
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain4wcn Chain A Residue 542 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4wcn Helical Shape of Helicobacter pylori Requires an Atypical Glutamine as a Zinc Ligand in the Carboxypeptidase Csd4.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		Q46 E49 H128
Binding residue
(residue number reindexed from 1)		Q28 E31 H110
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4wcn, PDBe:4wcn, PDBj:4wcn
PDBsum4wcn
PubMed25505267
UniProtB5ZAD9

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