Structure of PDB 6g9s Chain A Binding Site BS01 |
| >6g9s Chain A (length=538) Species: 83333 (Escherichia coli K-12)
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NRIKLVPIAPSRGIIYDRNGIPLALNRTIYQIEMMPEKVDNVQQTLDALR
SVVDLTDDDIAAFRKERARSHRFTSIPVKTNLTEVQVARFAVNQYRFPGV
EVKGYKRRYYPYGSALTHVIGYVSKINDKDVERLNNDGKLANYAATHDIG
KLGIERYYEDVLHGQTGYEEVEVNNRGRVIRQLKEVPPQAGHDIYLTLDL
KLQQYIETLLAGSRAAVVVTDPRTGGVLALVSTPSYDPNLFVDGISSKDY
SALLNDPNTPLVNRATQGVYPPASTVKPYVAVSALSAGVITRNTTLFDPG
WWQLPGSEKRYRDWKKWGHGRLNVTRSLEESADTFFYQVAYDMGIDRLSE
WMGKFGYGHYTGIDLAEERSGNMPTREWKQKRFKKPWYQGDTIPVGIGQG
YWTATPIQMSKALMILINDGIVKVPHLLMSTAEDGKQVPWVQPHEPPVGD
IHSGYWELAKDGMYGVANRPNGTAHKYFASAPYKIAAKSGTAQRDHKLMT
AFAPYNNPQVAVAMILENGGAGPAVGTLMRQILDHIML |
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| Ligand ID | ET5 |
| InChI | InChI=1S/C10H14N4O7S/c11-2-6-1-7(9-3-12-5-20-9)8(4-14(6)10(15)16)13-21-22(17,18)19/h1,3,5-6,8,13H,2,4,11H2,(H,15,16)(H,17,18,19)/t6-,8-/m0/s1 |
| InChIKey | ABKLGTMGWHFUKR-XPUUQOCRSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | NC[CH]1C=C([CH](CN1C(O)=O)NO[S](O)(=O)=O)c2ocnc2 | | OpenEye OEToolkits 2.0.6 | c1c(ocn1)C2=CC(N(CC2NOS(=O)(=O)O)C(=O)O)CN | | OpenEye OEToolkits 2.0.6 | c1c(ocn1)C2=C[C@H](N(C[C@@H]2NOS(=O)(=O)O)C(=O)O)CN | | CACTVS 3.385 | NC[C@@H]1C=C([C@H](CN1C(O)=O)NO[S](O)(=O)=O)c2ocnc2 |
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| Formula | C10 H14 N4 O7 S |
| Name | (3~{R},6~{S})-6-(aminomethyl)-4-(1,3-oxazol-5-yl)-3-(sulfooxyamino)-3,6-dihydro-2~{H}-pyridine-1-carboxylic acid |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 6g9s Chain A Residue 701
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| Enzyme Commision number |
3.4.16.4: serine-type D-Ala-D-Ala carboxypeptidase. |
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