2026-05-30_00000175
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hard
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9RUI
Apo state of the CdmB methyltransferase involved in the anaerobic dehalogenation of haloalkanes;
X-ray diffraction 1.57Å
Protein #1
429 residues (99% resolved)
Raw Sequence ...
WSHPQFEKSAMSNQVLSKYDEKLDRLDKCAKLEPVDRVPIAIATLYFPAKYSNISYDEMFNDTKQYTEAAIKFATDFNWDATCFLRSFDSVTLGLSLAATNPELAINVAIASVLGGGFTHDVLKDNYVSHPGRELPGDGEAHFLIKDTFIEPEEYDDFIENPFDFLSEVIVPKVYKSLSQPGSSSANAALIKLGLQLGPALANVGDFTQKMKEVNCPPWYMALAPNPLDFIGSFVRNFDKVLFDIRRYPKKIKRLCEELTPVFVAVGKATGQLSYELTGSRRVFMPVWYNSFLSKKQYAEFHWPYIKLIAEELIKDGFTPLLSFQGEHDHLLDTILELPEGKAIAWFDRTNIVDAKKIIGNHTCIAGGISPSILIGGTPEEVDLHVKKLLTEMKSSRGYIYTLPFNAIGPAKIENVRAMTAAILKHGKY
Canonical Sequence ...
WSHPQFEKSAMSNQVLSKYDEKLDRLDKCAKLEPVDRVPIAIATLYFPAKYSNISYDEMFNDTKQYTEAAIKFATDFNWDATCFLRSFDSVTLGLSLAATNPELAINVAIASVLGGGFTHDVLKDNYVSHPGRELPGDGEAHFLIKDTFIEPEEYDDFIENPFDFLSEVIVPKVYKSLSQPGSSSANAALIKLGLQLGPALANVGDFTQKMKEVNCPPWYMALAPNPLDFIGSFVRNFDKVLFDIRRYPKKIKRLCEELTPVFVAVGKATGQLSYELTGSRRVFMPVWYNSFLSKKQYAEFHWPYIKLIAEELIKDGFTPLLSFQGEHDHLLDTILELPEGKAIAWFDRTNIVDAKKIIGNHTCIAGGISPSILIGGTPEEVDLHVKKLLTEMKSSRGYIYTLPFNAIGPAKIENVRAMTAAILKHGKY
Non polymer #2
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Non polymer #3
ETE
InChI=1S/C9H20O5/c1-11-4-5-13-8-9-14-7-6-12-3-2-10/h10H,2-9H2,1H3
InChI=1S/C9H20O5/c1-11-4-5-13-8-9-14-7-6-12-3-2-10/h10H,2-9H2,1H3
SMILES: COCCOCCOCCOCCO
COCCOCCOCCOCCO
Non polymer #4
K
InChI=1S/K/q+1
InChI=1S/K/q+1
SMILES: [K+]
[K+]
Non polymer #5
NA
InChI=1S/Na/q+1
InChI=1S/Na/q+1
SMILES: [Na+]
[Na+]
Non polymer #6
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
Non polymer #7
PG4
InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2
InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2
SMILES: C(COCCOCCOCCO)O
C(COCCOCCOCCO)O
Non polymer #8
PO4
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
SMILES: [O-]P(=O)([O-])[O-]
[O-]P(=O)([O-])[O-]
Biounit #1
homo-dimer
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Model
Reference
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