Structure of PDB 3zfz Chain A Binding Site BS03

Receptor Information
>3zfz Chain A (length=635) Species: 158878 (Staphylococcus aureus subsp. aureus Mu50) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DKEINNTIDAIEDKNFKQVYKDSSYISKSDNGEVEMTERPIKIYNSLGVK
DINIQDRKIKKVSKNKKRVDAQYKIKTNYGNIDRNVQFNFVKEDGMWKLD
WDHSVIIPGMQKDQSIHIENLKSERGKILDRNNVELANTGTAYEIGIVPK
NVSKKDYKAIAKELSISEDYIKQQMDQNWVQDDTFVPLKTVKKMDEYLSD
FAKKFHLTTNETESRNYPLGKATSHLLGYVGPINSEELKQKEYKGYKDDA
VIGKKGLEKLYDKKLQHEDGYRVTIVDDNSNTIAHTLIEKKKKDGKDIQL
TIDAKVQKSIYNNMKNDYGSGTAIHPQTGELLALVSTPSYDVYPFMYGMS
NEEYNKLTEDKKEPLLNKFQITTSPGSTQKILTAMIGLNNKTLDDKTSYK
IDGKGWQKDKSWGGYNVTRYEVVNGNIDLKQAIESSDNIFFARVALELGS
KKFEKGMKKLGVGEDIPSDYPFYNAQISNKNLDNEILLADSGYGQGEILI
NPVQILSIYSALENNGNINAPHLLKDTKNKVWKKNIISKENINLLTDGMQ
QVVNKTHKEDIYRSYANLIGKSGTAELGRQIGWFISYDKDNPNMMMAINV
KDVQDKGMASYNAKISGKVYDELYENGNKKYDIDE
Ligand information
Ligand IDMUR
InChIInChI=1S/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3-,4-,5-,6-,7-,9-/m1/s1
InChIKeyMSFSPUZXLOGKHJ-KTZFPWNASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C(=O)O)OC1C(C(OC(C1O)CO)O)N
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)N
CACTVS 3.341C[C@@H](O[C@@H]1[C@@H](N)[C@H](O)O[C@H](CO)[C@H]1O)C(O)=O
CACTVS 3.341C[CH](O[CH]1[CH](N)[CH](O)O[CH](CO)[CH]1O)C(O)=O
ACDLabs 10.04O=C(O)C(OC1C(O)C(OC(O)C1N)CO)C
FormulaC9 H17 N O7
Namebeta-muramic acid;
muramic acid
ChEMBL
DrugBank
ZINCZINC000004097160
PDB chain3zfz Chain A Residue 1670 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3zfz How Allosteric Control of Staphylococcus Aureus Penicillin Binding Protein 2A Enables Methicillin Resistance and Physiological Function
Resolution2.25 Å
Binding residue
(original residue number in PDB)		E150 R151 E239 S240 R241 V256 V277 M372
Binding residue
(residue number reindexed from 1)		E124 R125 E213 S214 R215 V230 V251 M346
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.16.4: serine-type D-Ala-D-Ala carboxypeptidase.
Gene Ontology
Molecular Function
GO:0008658 penicillin binding
GO:0071972 peptidoglycan L,D-transpeptidase activity
Biological Process
GO:0046677 response to antibiotic
GO:0071555 cell wall organization
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3zfz, PDBe:3zfz, PDBj:3zfz
PDBsum3zfz
PubMed24085846
UniProtA0A0H3JPA5

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