Cell Reactant:
Caseinolytic protein C1 (ClpC1 NTD-D1)
Syringe Reactant:
BDBM213240
Meas. Tech.:
Enzyme Inhibition
Entry Date.:
02/21/17
ΔG°:
-10.53±n/a (kcal/mole)
pH:
7.5±0
Temperature:
298.15±0 (K)
ΔH° :
-9.17±0.06 (kJ/mole)
ΔS° :
0±0 (kJ/mole-K)
Citation
 Vasudevan, DRao, SPNoble, CG Structural basis of mycobacterial inhibition by cyclomarin A J Biol Chem 288:30883-91 (2013) [PubMed]  Article
Cell React
Name:
ATP-dependent Clp protease ATP-binding subunit ClpC1 [1-493]
Synonyms:
Caseinolytic protein C1 (ClpC1 NTD-D1)
Type:
Protein
Mol. Mass.:
54272.48
Organism:
Mycobacterium tuberculosis
Description:
M. tuberculosis ClpC1 N-terminal domain D1 (1-493 aa)
Residue:
493
Sequence:
MFERFTDRARRVVVLAQEEARMLNHNYIGTEHILLGLIHEGEGVAAKSLESLGISLEGVRSQVEEIIGQGQQAPSGHIPFTPRAKKVLELSLREALQLGHNYIGTEHILLGLIREGEGVAAQVLVKLGAELTRVRQQVIQLLSGYQGKEAAEAGTGGRGGESGSPSTSLVLDQFGRNLTAAAMEGKLDPVIGREKEIERVMQVLSRRTKNNPVLIGEPGVGKTAVVEGLAQAIVHGEVPETLKDKQLYTLDLGSLVAGSRYRGDFEERLKKVLKEINTRGDIILFIDELHTLVGAGAAEGAIDAASILKPKLARGELQTIGATTLDEYRKYIEKDAALERRFQPVQVGEPTVEHTIEILKGLRDRYEAHHRVSITDAAMVAAATLADRYINDRFLPDKAIDLIDEAGARMRIRRMTAPPDLREFDEKIAEARREKESAIDAQDFEKAASLRDREKTLVAQRAEREKQWRSGDLDVVAEVDDEQIAEVLGNWTG
  
Syringe React
Name:
BDBM213240
Synonyms:
Cyclomarin A1 (CymA1)
Type:
Small organic molecule
Emp. Form.:
C59H92N10O11
Mol. Mass.:
1117.4222
SMILES:
[#6]-[#8]-[#6@@H](-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6@@H](-[#6])-[#6]-[#8])-[#7](-[#6])-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7](-[#6])-[#6](=O)-[#6@@H](-[#7]-[#6]-1=O)-[#6](-[#6])-[#6])-[#6@H](-[#6])\[#6]=[#6](/[#6])-[#6])-[#6@H](-[#8])-c1cn(c2ccccc12)C([#6])([#6])[#6@@H](-[#8])-[#6]-[#7]-[#6]-[#6]-[#6]-[#7])-c1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: