Structure of PDB 4wcm Chain A Binding Site BS01

Receptor Information
>4wcm Chain A (length=415) Species: 563041 (Helicobacter pylori G27) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEMIEKAPTDLEDRDKAPHLLLLAGIHGDEPGGFNATNLFLMHYSVLKGL
VEVVPVLNKPSMLRNHRGLYGDMNRKFAALDKKDPEYPTIQEIKSLIAKP
NIDAVLHLHDGGGYYRPVYVDAMLNPKRWGNCFIIDQDEVKGAKFPNLLA
FANNTIESINAHLLHPIEEYHLKNTRTAQGDTEMQKALTFYAINQKKSAF
ANEASKELPLASRVFYHLQAIEGLLNQLNIPFKRDFELNPSSVHALINDK
SLWAKISSLPKIPLFNLRPRLNHFPLPHNTKIPQIPIESNAYIVGLVKNK
QEVFLKYGNKLMTRLSPFYIEFDPSLEEVKMQIDNKDQMVKIGSVVEVKE
SFYIHAMDNIRANVIGFSVKPNEAGYTIRFKDFQKRFSLDKQERIYRIEF
YKNNAFSGMILVKFV
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 chain4wcm Chain A Residue 538 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4wcm 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)		H46 E49 H128
Binding residue
(residue number reindexed from 1)		H27 E30 H109
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:4wcm, PDBe:4wcm, PDBj:4wcm
PDBsum4wcm
PubMed25505267
UniProtB5ZAD9

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