Structure of PDB 4q6m Chain A Binding Site BS03

Receptor Information
>4q6m Chain A (length=417) Species: 85962 (Helicobacter pylori 26695) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIEKAPTNVEDRDKAPHLLLLAGIQGDEPGGFNATNLFLMHYSVLKGLVE
VVPVLNKPSMLRNHRGLYGDMNRKFAALDKNDPEYPTIQEIKSLIAKPSI
DAVLHLHDGGGYYRPVYVDAMLNPKRWGNCFIIDQDEVKGAKFPNLLAFA
NNTIESINAHLLHPIEEYHLKNTRTAQGDTEMQKALTFYAINQKKSAFAN
EASKELPLASRVFYHLQAIEGLLNQLNIPFKRDFDLNPNSVHALINDKNL
WAKISSLPKMPLFNLRPKLNHFPLPHNTKIPQIPIESNAYIVGLVKNKQE
VFLKYGNKLMTRLSPFYIEFDPSLEEVKMQIDNKDQMVKIGSVVEVKESF
YIHAMDNIRANVIGFSVSNENKPNEAGYTIKFKDFQKRFSLDKQERIYRI
EFYKNNAFSGMILVKFV
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 chain4q6m Chain A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4q6m Structural basis for the recognition of muramyltripeptide by Helicobacter pylori Csd4, a D,L-carboxypeptidase controlling the helical cell shape
Resolution1.6 Å
Binding residue
(original residue number in PDB)		H62 D254
Binding residue
(residue number reindexed from 1)		H41 D233
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:4q6m, PDBe:4q6m, PDBj:4q6m
PDBsum4q6m
PubMed25372672
UniProtO25708

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