2025-08-30_00000193
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ligand
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9JAX
Crystal structure of NUDIX hydrolase from Bacillus methanolicus;
X-ray diffraction 2.40Å
Protein #1
191 residues (94% resolved)
Raw Sequence ...
MGKLFEEKTIKTEQIFSGRVVKLQVDDVELPNGQTSKREIVRHPGAVAVIAITNENKIVMVEQYRKPLEKSIVEIPAGKLEKGEDPRITALRELEEETGYECEQMEWLISFATSPGFADEIIHIYVAKGLSKKENAAGLDEDEFVDLIELTLDEALQYIKEQRIYDSKTVIAVQYLQLQEALKNKLEHHHH
Canonical Sequence ...
MGKLFEEKTIKTEQIFSGRVVKLQVDDVELPNGQTSKREIVRHPGAVAVIAITNENKIVMVEQYRKPLEKSIVEIPAGKLEKGEDPRITALRELEEETGYECEQMEWLISFATSPGFADEIIHIYVAKGLSKKENAAGLDEDEFVDLIELTLDEALQYIKEQRIYDSKTVIAVQYLQLQEALKNKLEHHHH
Non polymer #2
MES
InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)
InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)
SMILES: C1COCC[NH+]1CCS(=O)(=O)[O-]
C1COCC[NH+]1CCS(=O)(=O)[O-]
Non polymer #3
P4K
InChI=1S/C30H62O15/c1-2-32-5-6-34-9-10-36-13-14-38-17-18-40-21-22-42-25-26-44-29-30-45-28-27-43-24-23-41-20-19-39-16-15-37-12-11-35-8-7-33-4-3-31/h31H,2-30H2,1H3
InChI=1S/C30H62O15/c1-2-32-5-6-34-9-10-36-13-14-38-17-18-40-21-22-42-25-26-44-29-30-45-28-27-43-24-23-41-20-19-39-16-15-37-12-11-35-8-7-33-4-3-31/h31H,2-30H2,1H3
SMILES: CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
Non polymer #4
PEG
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
SMILES: C(COCCO)O
C(COCCO)O
Biounit #1
homo-dimer
Download coordinates
Biounit #2
homo-dimer
Download coordinates
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Model
Reference
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