Structure of PDB 2ixu Chain A Binding Site BS01

Receptor Information
>2ixu Chain A (length=338) Species: 10747 (Streptococcus phage Cp1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VKKNDLFVDVSSHNGYDITGILEQMGTTNTIIKISESTTYLNPCLSAQVE
QSNPIGFYHFARFGGDVAEAEREAQFFLDNVPMQVKYLVLDYEDDPSGDA
QANTNACLRFMQMIADAGYKPIYYSYKPFTHDNVDYQQILAQFPNSLWIA
GYGLNDGTANFEYFPSMDGIRWWQYSSNPFDKNIVLLDDEEDDKPKTAGT
WKQDSKGWWFRRNNGSFPYNKWEKIGGVWYYFDSKGYCLTSEWLKDNEKW
YYLKDNGAMATGWVLVGSEWYYMDDSGAMVTGWVKYKNNWYYMTNERGNM
VSNEFIKSGKGWYFMNTNGELADNPSFTKEPDGLITVA
Ligand information
Ligand IDMUB
InChIInChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11+/m1/s1
InChIKeyMNLRQHMNZILYPY-MDMHTWEWSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[CH](O[CH]1[CH](O)[CH](CO)O[CH](O)[CH]1NC(C)=O)C(O)=O
ACDLabs 10.04O=C(O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)C
OpenEye OEToolkits 1.5.0CC(C(=O)O)OC1C(C(OC(C1O)CO)O)NC(=O)C
CACTVS 3.341C[C@@H](O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]1NC(C)=O)C(O)=O
OpenEye OEToolkits 1.5.0C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C
FormulaC11 H19 N O8
NameN-acetyl-alpha-muramic acid;
N-acetyl-muramic acid;
N-ACETYLMURAMIC ACID
ChEMBLCHEMBL1234516
DrugBank
ZINCZINC000003861769
PDB chain2ixu Chain B Residue 1 [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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PDB2ixu Elucidation of the Molecular Recognition of Bacterial Cell Wall by Modular Pneumococcal Phage Endolysin Cpl-1.
Resolution2.28 Å
Binding residue
(original residue number in PDB)		Y127 P129 A151 G152 Y153
Binding residue
(residue number reindexed from 1)		Y126 P128 A150 G151 Y152
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D10 D92 E94 D182
Catalytic site (residue number reindexed from 1) D9 D91 E93 D181
Enzyme Commision number 3.2.1.17: lysozyme.
Gene Ontology
Molecular Function
GO:0003796 lysozyme activity
GO:0005515 protein binding
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0009253 peptidoglycan catabolic process
GO:0016998 cell wall macromolecule catabolic process
GO:0031640 killing of cells of another organism
GO:0042742 defense response to bacterium
GO:0044659 viral release from host cell by cytolysis

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2ixu, PDBe:2ixu, PDBj:2ixu
PDBsum2ixu
PubMed17581815
UniProtP15057|LYS_BPCP1 Lysozyme (Gene Name=CPL1)

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