SEQ2FUN

BioLiP

PDB CCD ID: UFU
Number of entries in BioLiP: 4
Chemical formula: C41 H50 Co N6 O5 S
InChI: InChI=1S/C41H52N6O5S.Co/c1-40(2,3)28-13-9-11-26(36(28)49)22-44-30-18-17-25(21-31(30)45-23-27-12-10-14-29(37(27)50)41(4,5)6)38(51)43-20-19-42-34(48)16-8-7-15-33-35-32(24-53-33)46-39(52)47-35;/h9-14,17-18,21-23,32-33,35H,7-8,15-16,19-20,24H2,1-6H3,(H6,42,43,44,45,46,47,48,49,50,51,52);/q;+2/p-2/t32-,33-,35-;/m0./s1
InChIKey: GGMGBRLOTHARHT-SZKYPABLSA-L
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C)(C)c1cccc2c1O[Co]34=[N](C=C5C=CC=C(C5=O3)C(C)(C)C)c6cc(ccc6[N]4=C2)C(=O)NCCNC(=O)CCCCC7C8C(CS7)NC(=O)N8
CACTVS 3.385CC(C)(C)C1=CC=CC(=CNc2cc(ccc2N=Cc3cccc(c3O[Co])C(C)(C)C)C(=O)NCCNC(=O)CCCC[CH]4SC[CH]5NC(=O)N[CH]45)C1=O
OpenEye OEToolkits 2.0.7CC(C)(C)c1cccc2c1O[Co]34=[N](C=C5C=CC=C(C5=O3)C(C)(C)C)c6cc(ccc6[N]4=C2)C(=O)NCCNC(=O)CCCC[C@H]7[C@@H]8[C@H](CS7)NC(=O)N8
CACTVS 3.385CC(C)(C)C1=CC=CC(=CNc2cc(ccc2N=Cc3cccc(c3O[Co])C(C)(C)C)C(=O)NCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)C1=O
Name:cobalt Streptavidin
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • 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).