Structure of PDB 2pwg Chain A Binding Site BS02 |
| >2pwg Chain A (length=556) Species: 265293 (Burkholderia ubonensis subsp. mesacidophila)
[Search protein sequence]
[Download receptor structure]
[Download structure with residue number starting from 1]
[View receptor structure]
|
PGAPWWKSAVFYQVYPRSFKDTNGDGIGDFKGLTEKLDYLKGLGIDAIWI
NPHYASPNTDNGYDISDYREVMKEYGTMEDFDRLMAELKKRGMRLMVDVV
INHSSDQHEWFKSSRASKDNPYRDYYFWRDGKDGHEPNNYPSFFGGSAWE
KDPVTGQYYLHYFGRQQPDLNWDTPKLREELYAMLRFWLDKGVSGMRFDT
VATYSKTPGFPDLTPEQMKNFAEAYTQGPNLHRYLQEMHEKVFDHYDAVT
AGEIFGAPLNQVPLFIDSRRKELDMAFTFDLIRYDRALDRWHTIPRTLAD
FRQTIDKVDAIAGEYGWNTFFLGNHDNPRAVSHFGDDRPQWREASAKALA
TVTLTQRGTPFIFQGDELGMTNYPFKTLQDFDDIEVKGFFQDYVETGKAT
AEELLTNVALTSRDNARTPFQWDDSANAGFTTGKPWLKVNPNYTEINAAR
EIGDPKSVYSFYRNLISIRHETPALSTGSYRDIDPSNADVYAYTRSQDGE
TYLVVVNFKAEPRSFTLPDGMHIAETLIESSSPAAPAAGAASLELQPWQS
GIYKVK |
|
|
| Ligand ID | CTS |
| InChI | InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5-,6+,7+,8+/m0/s1 |
| InChIKey | JDVVGAQPNNXQDW-TVNFTVLESA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.341 | O[C@H]1CCN2C[C@H](O)[C@@H](O)[C@H](O)[C@@H]12 | | OpenEye OEToolkits 1.5.0 | C1CN2CC(C(C(C2C1O)O)O)O | | OpenEye OEToolkits 1.5.0 | C1C[N@]2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)O | | CACTVS 3.341 | O[CH]1CCN2C[CH](O)[CH](O)[CH](O)[CH]12 | | ACDLabs 10.04 | OC1CCN2C1C(O)C(O)C(O)C2 |
|
| Formula | C8 H15 N O4 |
| Name | CASTANOSPERMINE;
(1S,6S,7R,8R,8AR)-1,6,7,8-TETRAHYDROXYINDOLIZIDINE |
| ChEMBL | CHEMBL311226 |
| DrugBank | DB01816 |
| ZINC | ZINC000003775177
|
| PDB chain | 2pwg Chain A Residue 8000
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
|
|
|
|
|
|
