Structure of PDB 6p55 Chain B Binding Site BS02

Receptor Information
>6p55 Chain B (length=327) Species: 485 (Neisseria gonorrhoeae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GGALSLDQRIQTLAYEELNKAVEYHQAKAGTVVVLDARTGEILALANTPG
RNRAVTDMIEPGSAIKPFVIAKALDAGKTDLNERLNTQPYKIGPSPVRDT
HVYPSLDVRGIMQKSSNVGTSKLSARFGAEEMYDFYHELGIGVRMHSGFP
GETAGLLRNWRRWRPIEQATMSFGYGLQLSLLQLARAYTALTHDGVLLPL
SFEKQAVAPQGKRIFKESTAREVRNLMVSVTEPGGTGTAGAVDGFDVGAK
TGTARKFVNGRYADNKHVATFIGFAPAKNPRVIVAVTIDEPTAHGYYGGV
VAGPPFKKIMGGSLNILGISPTKPLTA
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 chain6p55 Chain B Residue 602 [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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PDB6p55 Recognition of the beta-lactam carboxylate triggers acylation ofNeisseria gonorrhoeaepenicillin-binding protein 2.
Resolution1.74 Å
Binding residue
(original residue number in PDB)		R391 H393
Binding residue
(residue number reindexed from 1)		R144 H146
Annotation score3
Enzymatic activity
Enzyme Commision number 3.4.16.4: serine-type D-Ala-D-Ala carboxypeptidase.
Gene Ontology
Molecular Function
GO:0008658 penicillin binding

View graph for
Molecular Function
External links
PDB RCSB:6p55, PDBe:6p55, PDBj:6p55
PDBsum6p55
PubMed31362987
UniProtP08149|PBP2_NEIGO Probable peptidoglycan D,D-transpeptidase PenA (Gene Name=penA)

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