Structure of PDB 6tbf Chain H Binding Site BS01 |
| >6tbf Chain H (length=539) Species: 498211 (Cellvibrio japonicus Ueda107)
[Search protein sequence]
[Download receptor structure]
[Download structure with residue number starting from 1]
[View receptor structure]
|
APLPELLSNNGKHALMVDGAPYIILGSQTNNSSNYPDALKDVWPSMEKMG
ANTLSIPVAWEQIEPVEGQFDFSFVDVLLKEARQRKVRLVLLWFATWKNN
APHYAPAWVKLDNARFPRVVKEDGDTLNSLSPLGQNTLAADKKAFVELMK
YLAKRDKDHTVIMVQVQNEVGTYGAVRDYSPMAQAVFNAAVPDDLIQKLQ
LKPGTWSQVFGRDADEFFHAYQIARYCDEVTVAGKAIKNLPMYVNVALRN
PFNPGLPGQYSSGGGTDNVLHIWKAAAPNIDLIAPDIYFRDYKTVSKVLE
LYTRPDNALFVAEIGNDQPFARYLFPTLGKGGIGFSPFGMDDTDYTNYPL
GAKVYNDETIEQFAQVYRLVNPMMREWARLSYQGQVWGVAEPLDSTTETQ
KIWNAEATPEEKEQHKKDRASALTQQLDLGLWDAEVTYGRPMFWVTPPEG
NTPAAGGALIAQLDDNEYLVTAYKARVEFKPSQELAGKKFMIERVEEGRF
EKGKWVMERVWNGDQTDWGLNFTDRPHLLRVKMASYSVQ |
|
|
| Ligand ID | N0T |
| InChI | InChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-15-11-10(9-16)12(17)14(19)13(11)18/h10-19H,2-9H2,1H3/t10-,11+,12-,13-,14-/m0/s1 |
| InChIKey | UZTOTQLQFAGSAI-NDKCEZKHSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CCCCCCCCNC1C(C(C(C1O)O)O)CO | | OpenEye OEToolkits 2.0.7 | CCCCCCCCN[C@@H]1[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO | | CACTVS 3.385 | CCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO | | CACTVS 3.385 | CCCCCCCCN[CH]1[CH](O)[CH](O)[CH](O)[CH]1CO |
|
| Formula | C14 H29 N O4 |
| Name | (1~{S},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-5-(octylamino)cyclopentane-1,2,3-triol |
| ChEMBL | |
| DrugBank | |
| ZINC |
|
| PDB chain | 6tbf Chain H Residue 602
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
| Enzyme Commision number |
3.2.1.23: beta-galactosidase. |
|
|
|
|
|
