2024-05-11_00000165
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ligand
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8KHG
Itaconyl-CoA hydratase PaIch;
X-ray diffraction 2.60Å
Protein #1
275 residues (99% resolved)
Raw Sequence ...
MSESAFAPWIGRQEETHDQLSRNLVKRIAATFGEPTPAHGEALPPLWHWAFFQDPVEAAGLGVDGHPARGGFLPPADDRNRMWAGGRLEFHQPLRVGGEASRTSTILRVEEKHGRSGALLFVTLRHDYRQDGQLALSEEHDIVYREPTPPKLGGTEALPEGDWREALEPDPVLLFRYSAVTFNGHRIHYDWPYVTDAEGYPGLVVHGPLIATLALRAFCRANPQARLRRFAYRGLRPLICPEPFEVGGRLLAAGKAEVWVGNGAGLAQRGDVEFD
Canonical Sequence ...
MSESAFAPWIGRQEETHDQLSRNLVKRIAATFGEPTPAHGEALPPLWHWAFFQDPVEAAGLGVDGHPARGGFLPPADDRNRMWAGGRLEFHQPLRVGGEASRTSTILRVEEKHGRSGALLFVTLRHDYRQDGQLALSEEHDIVYREPTPPKLGGTEALPEGDWREALEPDPVLLFRYSAVTFNGHRIHYDWPYVTDAEGYPGLVVHGPLIATLALRAFCRANPQARLRRFAYRGLRPLICPEPFEVGGRLLAAGKAEVWVGNGAGLAQRGDVEFD
Non polymer #2
CIT
InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
SMILES: C(C(=O)O)C(CC(=O)O)(C(=O)O)O
C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
100%