PRD_000817

LEDGF peptide

PRD_000817 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 3AV9.

Find entries where PRD_000817 is present

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	LEDGF peptide
Identifiers	4-[(2S,5S,8S,11S,14S,17S,20S,23S)-11-(2-azanyl-2-oxidanylidene-ethyl)-5-[(2S)-butan-2-yl]-20-(hydroxymethyl)-8,17-bis(2-hydroxy-2-oxoethyl)-23-methyl-14-(2-methylpropyl)-3,6,9,12,15,18,21,24-octakis(oxidanylidene)-1,4,7,10,13,16,19,22-octazacyclotetracos-2-yl]butylazanium
Formula	C₃₆ H₆₁ N₁₀ O₁₄
Molecular Weight	857.928
Type	PEPTIDE-LIKE
Isomeric SMILES	CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCC[NH3+])C)CO)CC(=O)O)CC(C)C)CC(=O)N)CC(=O)O
InChI	InChI=1S/C36H60N10O14/c1-6-17(4)28-36(60)44-23(14-27(51)52)33(57)42-21(12-25(38)48)32(56)41-20(11-16(2)3)31(55)43-22(13-26(49)50)34(58)45-24(15-47)35(59)39-18(5)29(53)40-19(30(54)46-28)9-7-8-10-37/h16-24,28,47H,6-15,37H2,1-5H3,(H2,38,48)(H,39,59)(H,40,53)(H,41,56)(H,42,57)(H,43,55)(H,44,60)(H,45,58)(H,46,54)(H,49,50)(H,51,52)/p+1/t17-,18?,19-,20?,21?,22?,23-,24?,28-/m0/s1
InChIKey	SJXWBRVGXSNWBH-XBTATYMUSA-O
Composition	Polymer Sequences: SER-ALA-LYS-ILE-ASP-ASN-LEU-ASP
BIRD class	ENZYME INHIBITOR
Represented As	POLYMER
Compound Details	n/a
Description	n/a

Chemical Details
Formal Charge	0
Atom Count	121
Chiral Atom Count	9
Bond Count	121
Aromatic Bond Count	0

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM133198.