Structure of PDB 4cjn Chain B Binding Site BS02 |
| >4cjn Chain B (length=642) Species: 158878 (Staphylococcus aureus subsp. aureus Mu50)
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DKEINNTIDAIEDKNFKQVYKDSSYISKSDNGEVEMTERPIKIYNSLGVK
DINIQDRKIKKVSKNKKRVDAQYKIKTNYGNIDRNVQFNFVKEDGMWKLD
WDHSVIIPGMQKDQSIHIENLKSERGKILDRNNVELANTGTAYEIGIVPK
NVSKKDYKAIAKELSISEDYIKQQMDQNWVQDDTFVPLKTVKKMDEYLSD
FAKKFHLTTNETESRNYPLGKATSHLLGYVGPINSEELKQKEYKGYKDDA
VIGKKGLEKLYDKKLQHEDGYRVTIVDDNSNTIAHTLIEKKKKDGKDIQL
TIDAKVQKSIYNNMKNDYGSGTAIHPQTGELLALVSTPSYDVYPFMYGMS
NEEYNKLTEDKKEPLLNKFQITTSPGSTQKILTAMIGLNNKTLDDKTSYK
IDGKGWQKDKSWGGYNVTRYEVVNGNIDLKQAIESSDNIFFARVALELGS
KKFEKGMKKLGVGEDIPSDYPFYNAQISNKNLDNEILLADSGYGQGEILI
NPVQILSIYSALENNGNINAPHLLKDTKNKVWKKNIISKENINLLTDGMQ
QVVNKTHKEDIYRSYANLIGKSGTAELKMKQGETGRQIGWFISYDKDNPN
MMMAINVKDVQDKGMASYNAKISGKVYDELYENGNKKYDIDE |
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| Ligand ID | MUR |
| InChI | InChI=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 |
| InChIKey | MSFSPUZXLOGKHJ-KTZFPWNASA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.5.0 | CC(C(=O)O)OC1C(C(OC(C1O)CO)O)N | | OpenEye OEToolkits 1.5.0 | C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)N | | CACTVS 3.341 | C[C@@H](O[C@@H]1[C@@H](N)[C@H](O)O[C@H](CO)[C@H]1O)C(O)=O | | CACTVS 3.341 | C[CH](O[CH]1[CH](N)[CH](O)O[CH](CO)[CH]1O)C(O)=O | | ACDLabs 10.04 | O=C(O)C(OC1C(O)C(OC(O)C1N)CO)C |
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| Formula | C9 H17 N O7 |
| Name | beta-muramic acid;
muramic acid |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000004097160
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| PDB chain | 4cjn Chain B Residue 1674
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| Enzyme Commision number |
3.4.16.4: serine-type D-Ala-D-Ala carboxypeptidase. |
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