Structure of PDB 2wk2 Chain A Binding Site BS03 |
| >2wk2 Chain A (length=539) Species: 615 (Serratia marcescens)
[Search protein sequence]
[Download receptor structure]
[Download structure with residue number starting from 1]
[View receptor structure]
|
AAPGKPTIAWGNTKFAIVEVDQAATAYNNLVKVKNAADVSVSWNLWNGDT
GTTAKILLNGKEAWSGPSTGSSGTANFKVNKGGRYQMQVALCNADGCTAS
DATEIVVADTDGSHLAPLKEPLLEKNKPYKQNSGKVVGSYFVEWGVYGRN
FTVDKIPAQNLTHLLYGFIPICGGNGINDSLKEIEGSFQALQRSCQGRED
FKVSIHDPFAALQKAQKGVTAWDDPYKGNFGQLMALKQAHPDLKILPSIG
GWTLSDPFFFMGDKVKRDRFVGSVKEFLQTWKFFDGVDIDWEFPGGKGAN
PNLGSPQDGETYVLLMKELRAMLDQLSAETGRKYELTSAISAGKDKIDKV
AYNVAQNSMDHIFLMSYDFYGAFDLKNLGHQTALNAPAWKPDTAYTTVNG
VNALLTQGVKPGKIVVGTAMYGRGWTGVNGYQNNIPFTGTATGPVKGTWE
NGIVDYRQIASQFMSGEWQYTYDATAEAPYVFKPSTGDLITFDDARSVQA
KGKYVLDKQLGGLFSWEIDADNGDILNSMNASLGNSAGV |
|
|
| Ligand ID | SN5 |
| InChI | InChI=1S/C8H15NO5S/c1-3(15)9-5-7(12)6(11)4(2-10)14-8(5)13/h4-8,10-13H,2H2,1H3,(H,9,15)/t4-,5-,6-,7-,8-/m1/s1 |
| InChIKey | BIHKKHHUWVSGSD-FMDGEEDCSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.352 | CC(=S)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O | | ACDLabs 10.04 | S=C(NC1C(O)C(O)C(OC1O)CO)C | | OpenEye OEToolkits 1.6.1 | CC(=S)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O | | OpenEye OEToolkits 1.6.1 | CC(=S)NC1C(C(C(OC1O)CO)O)O | | CACTVS 3.352 | CC(=S)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O |
|
| Formula | C8 H15 N O5 S |
| Name | 2-deoxy-2-(ethanethioylamino)-beta-D-glucopyranose;
N-ethanethioyl-beta-D-glucosamine;
2-deoxy-2-(ethanethioylamino)-beta-D-glucose;
2-deoxy-2-(ethanethioylamino)-D-glucose;
2-deoxy-2-(ethanethioylamino)-glucose |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000013510277
|
| PDB chain | 2wk2 Chain C Residue 2
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
|
|
|
|
|
|
