Structure of PDB 3suu Chain A Binding Site BS01 |
| >3suu Chain A (length=504) Species: 192895 (Paenibacillus sp. TS12)
[Search protein sequence]
[Download receptor structure]
[Download structure with residue number starting from 1]
[View receptor structure]
|
HHHHSSGLVPRGSHMSQPSILPKPVSYTVGSGQFVLTKNASIFVAGNNVG
ETDELFNIGQALAKKLNASTGYTISVVKSNQPTAGSIYLTTVGGNAALGN
EGYDLITTSNQVTLTANKPEGVFRGNQTLLQLLPAGIEKNTVVSGVQWVI
PHSNISDKPEYEYRGLMLDVARHFFTVDEVKRQIDLASQYKINKFHMHLS
DDQGWRIEIKSWPDLIEIGSKGQVGGGPGGYYTQEQFKDIVSYAAERYIE
VIPEIDMPGHTNAALASYGELNPDGKRKAMRTDTAVGYSTLMPRAEITYQ
FVEDVISELAAISPSPYIHLGGDESNATSAADYDYFFGRVTAIANSYGKK
VVGWDPSDTSSGATSDSVLQNWTCSASTGTAAKAKGMKVIVSPANAYLDM
KYYSDSPIGLQWRGFVNTNRAYNWDPTDCIKGANIYGVESTLWTETFVTQ
DHLDYMLYPKLLSNAEVGWTARGDRNWDDFKERLIEHTPRLQNKGIKFFA
DPIV |
|
|
| Ligand ID | OGN |
| InChI | InChI=1S/C15H19N3O7/c1-8(20)16-11-13(22)12(21)10(7-19)24-14(11)18-25-15(23)17-9-5-3-2-4-6-9/h2-6,10-13,19,21-22H,7H2,1H3,(H,16,20)(H,17,23)/b18-14-/t10-,11-,12+,13-/m1/s1 |
| InChIKey | PBLNJFVQMUMOJY-UYZOWNTJSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.2 | CC(=O)NC1C(C(C(OC1=NOC(=O)Nc2ccccc2)CO)O)O | | OpenEye OEToolkits 1.7.2 | CC(=O)N[C@@H]\1[C@H]([C@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O | | CACTVS 3.370 | CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)OC1=NOC(=O)Nc2ccccc2 | | ACDLabs 12.01 | O=C(O\N=C1/OC(CO)C(O)C(O)C1NC(=O)C)Nc2ccccc2 | | CACTVS 3.370 | CC(=O)N[C@@H]\1[C@@H](O)[C@@H](O)[C@@H](CO)OC\1=N\OC(=O)Nc2ccccc2 |
|
| Formula | C15 H19 N3 O7 |
| Name | [(Z)-[(3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]amino] N-phenylcarbamate;
Gal-PUGNAc |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000044154749
|
| PDB chain | 3suu Chain A Residue 2000
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
|
|
|
|
|
|
