Structure of PDB 1oba Chain A Binding Site BS01

Receptor Information
>1oba 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]
VKKNDLFVDVSSHNGYDITGILEQMGTTNTIIKISESTTYLNRCLSAQVE
QSNPIGFYHFARFGGDVAEAEREAQFFLDNVPMQVKYLVLDYEDDPSGDA
QANTNACLRFMQMIADAGYKPIYYSYKPFTHDNVDYQQILAQFPNSLWIA
GYGLNDGTANFEYFPSMDGIRWWQYSSNPFDKNIVLLDDEEDDKPKTAGT
WKQDSKGWWFRRNNGSFPYNKWEKIGGVWYYFDSKGYCLTSEWLKDNEKW
YYLKDNGAMATGWVLVGSEWYYMDDSGAMVTGWVKYKNNWYYMTNERGNM
VSNEFIKSGKGWYFMNTNGELADNPSFTKEPDGLITVA
Ligand information
Ligand IDCHT
InChIInChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
InChIKeyOEYIOHPDSNJKLS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		C[N+](C)(C)CCO
ACDLabs 10.04OCC[N+](C)(C)C
FormulaC5 H14 N O
NameCHOLINE ION
ChEMBLCHEMBL920
DrugBankDB00122
ZINCZINC000003079337
PDB chain1oba Chain A Residue 1340 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1oba Structural Basis for Selective Recognition of Pneumococcal Cell Wall by Modular Endolysin from Phage Cp-1.
Resolution2.45 Å
Binding residue
(original residue number in PDB)		W223 W230 Y252 S277
Binding residue
(residue number reindexed from 1)		W222 W229 Y251 S276
Annotation score4
Binding affinityMOAD: Kd=3.6mM
PDBbind-CN: -logKd/Ki=2.44,Kd=3.6mM
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:1oba, PDBe:1oba, PDBj:1oba
PDBsum1oba
PubMed14527392
UniProtP15057|LYS_BPCP1 Lysozyme (Gene Name=CPL1)

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