Structure of PDB 4wcm Chain A Binding Site BS03

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 IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain4wcm Chain A Residue 542 [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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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 R86 H128 D129 E222
Binding residue
(residue number reindexed from 1)		H27 E30 R67 H109 D110 E203
Annotation score3
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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