Structure of PDB 5hld Chain A Binding Site BS01 |
| >5hld Chain A (length=649) Species: 83333 (Escherichia coli K-12)
[Search protein sequence]
[Download receptor structure]
[Download structure with residue number starting from 1]
[View receptor structure]
|
AIVFAVLIAIYGVYLDQKIRSRIDGKVWQLPAAVYGRMVNLEPDMTISKN
EMVKLLEATQYRQVSKMTRPGEFTVQANSIEMIRRPFDFPDSKEGQVRAR
LTFDGDHLATIVNMENNRQFGFFRLDPRLITMISSPNGEQRLFVPRSGFP
DLLVDTLLATETQQLVKNLFLSKANEAYMALIMDARYSKDRILELYMNEV
YLGQSGDNEIRGFPLASLYYFGRPVEELSLDQQALLVGMVLALERRNLVL
RLLYDMLSARPQPAFMQLVRQELQAKLGDKVKDLSGVKIFTTFDSVAQDA
AEKAAVEGIPALKKQRKLSDLETAIVVVDRFSGEVRAMVGGSEPQFAGYN
RAMQARRSIGSLAKPATYLTALSQPKIYRLNTWIADAPIALRQPNGQVWS
PQNDDRRYSESGRVMLVDALTRSMNVPTVNLGMALGLPAVTETWIKLGVP
KDQLHPVPAMLLGALNLTPIEVAQAFQTIASGGNRAPLSALRSVIAEDGK
VLYQSFPQAERAVPAQAAYLTLWTMQQVVQRGTGRQLGAKYPNLHLAGKT
GTTNNNVDTWFAGIDGSTVTITWVGRDNNQPTKLYGASGAMSIYQRYLAN
QTPTPLNLVPPEDIADMGVDYDGNFVCSGGMRILPVWTSDPQSLCQQSE |
|
|
| Ligand ID | 63V |
| InChI | InChI=1S/C14H14N2O4S2/c1-8-7-22-13(16-12(8)14(19)20)10(6-17)15-11(18)5-9-3-2-4-21-9/h2-4,6,10,13H,1,5,7H2,(H,15,18)(H,19,20)/t10-,13+/m1/s1 |
| InChIKey | FYGLCWWPHIWVKN-MFKMUULPSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.4 | C=C1CSC(N=C1C(=O)O)C(C=O)NC(=O)Cc2cccs2 | | OpenEye OEToolkits 2.0.4 | C=C1CS[C@H](N=C1C(=O)O)[C@@H](C=O)NC(=O)Cc2cccs2 | | CACTVS 3.385 | OC(=O)C1=N[CH](SCC1=C)[CH](NC(=O)Cc2sccc2)C=O | | CACTVS 3.385 | OC(=O)C1=N[C@@H](SCC1=C)[C@H](NC(=O)Cc2sccc2)C=O | | ACDLabs 12.01 | O=C(C\1=NC(SCC/1=C)C(C=O)NC(=O)Cc2sccc2)O |
|
| Formula | C14 H14 N2 O4 S2 |
| Name | (2S)-5-methylidene-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000034932135
|
| PDB chain | 5hld Chain A Residue 901
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
| Enzyme Commision number |
2.4.99.28: peptidoglycan glycosyltransferase.
3.4.16.4: serine-type D-Ala-D-Ala carboxypeptidase. |
|
|
|
|
|
