Structure of PDB 2wwd Chain A Binding Site BS01

Receptor Information
>2wwd Chain A (length=432) Species: 171101 (Streptococcus pneumoniae R6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NAAAYWDGDYYVKDDGSKAQSEWIFDNYYKAWFYINSDGRYSQNEWHGNY
YLKSGGYMAQNEWIYDSNYKSWFYLKSDGAYAHQEWQLIGNKWYYFKKWG
YMAKSQWQGSYFLNGQGAMIQNEWLYDPAYSAYFYLKSDGTYANQEWQKV
GGKWYYFKKWGYMARNEWQGNYYLTGSGAMATDEVIMDGARYIFAASGEL
KEKKDLNVGWVHRDGKRYFFNNREEQVGTEHAKKIIDISEHNGRINDWKK
VIDENEVDGVIVRLGYSGKEDKELAHNIKELNRLGIPYGVYLYTYAENET
DAENDAKQTIELIKKYNMNLSYPIYYDVENWEYVNKSKRAPSDTDTWVKI
INKYMDTMKQAGYQNVYVYSYRSLLQTRLKHPDILKHVNWVAAYTNALEW
ENPYYSGEKGWQYTSSEYMKGIQGRVDVSVWY
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 chain2wwd 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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PDB2wwd Insights Into Pneumococcal Fratricide from the Crystal Structures of the Modular Killing Factor Lytc.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		Y407 R408 S409 Y430
Binding residue
(residue number reindexed from 1)		Y371 R372 S373 Y394
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Y117
Catalytic site (residue number reindexed from 1) Y81
Enzyme Commision number 3.2.1.17: lysozyme.
Gene Ontology
Molecular Function
GO:0003796 lysozyme activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0009253 peptidoglycan catabolic process
GO:0016052 carbohydrate catabolic process
GO:0016998 cell wall macromolecule catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2wwd, PDBe:2wwd, PDBj:2wwd
PDBsum2wwd
PubMed20400948
UniProtQ8DP07

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