BioLiP Library

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●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●DeepMSA2 ●FASPR ●EM-Refiner ●GPU-I-TASSER

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BioLiP Library

PDB

BioLiP

PDB CCD ID:

DJB

Number of entries in BioLiP:

Chemical formula:

C10 H15 N O8

InChI:

InChI=1S/C10H15NO8/c1-3(12)11-5-7(18-4(2)13)6(14)8(9(15)16)19-10(5)17/h5-8,10,14,17H,1-2H3,(H,11,12)(H,15,16)/t5-,6-,7-,8+,10+/m1/s1

InChIKey:

ZCWUGSBUHDVNCR-BGJNVIQHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)C(=O)O)O)OC(=O)C
CACTVS 3.385	CC(=O)N[CH]1[CH](O)O[CH]([CH](O)[CH]1OC(C)=O)C(O)=O
OpenEye OEToolkits 2.0.6	CC(=O)NC1C(C(C(OC1O)C(=O)O)O)OC(=O)C
CACTVS 3.385	CC(=O)N[C@H]1[C@@H](O)O[C@@H]([C@H](O)[C@@H]1OC(C)=O)C(O)=O

Name:

3-O-acetyl-2-acetamido-2-deoxy-alpha-D-galactopyranuronic acid;
alpha-D-2-N-acetyl-3-O-acetylgalactosaminuronic acid;
3-O-acetyl-2-acetamido-2-deoxy-alpha-D-galacturonic acid;
3-O-acetyl-2-acetamido-2-deoxy-D-galacturonic acid;
3-O-acetyl-2-acetamido-2-deoxy-galacturonic acid

Reference:

Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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