2025-05-24_00000142|medium|9G7J

Crystal structure of the tungsten-dependent aldehyde:ferredoxin oxidoreductase from Clostridium autoethanogenum.; X-ray diffraction 1.59Å

Protein #1 607 residues (100% resolved)

Raw Sequence ...

MYGYDGKVLRINLKERTCKSENLDLDKAKKFIGCRGLGVKTLFDEIDPKIDALSPENKFIIVTGPLTGAPVPTSGRFMVVTKAPLTGTIGISNSGGKWGVDLKKAGWDMIIVEDKADSPVYIEIVDDKVEIKDASQLWGKVTSETTKELEKITENKSKVLCIGPAGERLSLMAAVMNDVDRTAARGGVGAVMGSKNLKAITVKGTGKIALADKEKVKKVSVEKITTLKNDPVAGQGMPTYGTAILVNIINENGVHPVKNFQESYTNQADKISGETLTANQLVRKNPCYSCPIGCGRWVRLKDGTECGGPEYETLWCFGSDCGSYDLDAINEANMLCNEYGIDTITCGATIAAAMELYQRGYIKDEEIAGDNLSLKWGDTESMIGWIKRMVYSEGFGAKMTNGSYRLCEGYGAPEYSMTVKKQEIPAYDPRGIQGHGITYAVNNRGGCHIKGYMINPEILGYPEKLDRFALDGKAAYAKLFHDLTAVIDSLGLCIFTTFGLGIQDYVDMYNAVVGESTYDADSLLEAGDRIWTLEKLFNLAAGIDSSQDTLPKRLLEEPIPDGPSKGEVHRLDVLLPEYYSVRGWSKEGIPTEETLKKLGLDEYIGKF

Canonical Sequence ...

Non polymer #2 A1IJH

InChI=1S/2C10H14N5O6PS2.Mg.W/c211-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19;;/h22-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16);;/q;;+2;+4/p-6/t2*2-,3+,9-;;/m11../s1

InChI=1S/2C10H14N5O6PS2.Mg.W/c2*11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19;;/h2*2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16);;/q;;+2;+4/p-6/t2*2-,3+,9-;;/m11../s1

SMILES: C1[C@@H]2C3=C([C@H]4[C@@H](O2)NC5=C(N4)C(=O)NC(=N5)N)S[W]6(S3)SC7=C(S6)[C@H]8[C@H](NC9=C(N8)C(=O)NC(=N9)N)O[C@@H]7COP(=O)(O[Mg]OP(=O)(O1)O)O

C1[C@@H]2C3=C([C@H]4[C@@H](O2)NC5=C(N4)C(=O)NC(=N5)N)S[W]6(S3)SC7=C(S6)[C@H]8[C@H](NC9=C(N8)C(=O)NC(=N9)N)O[C@@H]7COP(=O)(O[Mg]OP(=O)(O1)O)O

Non polymer #3 CL

InChI=1S/ClH/h1H/p-1

SMILES: [Cl-]

[Cl-]

Non polymer #4 EDO

InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

SMILES: C(CO)O

C(CO)O

Non polymer #5 MG

InChI=1S/Mg/q+2

SMILES: [Mg+2]

[Mg+2]

Non polymer #6 SF4

InChI=1S/4Fe.4S

SMILES: [S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45

[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45

Biounit #1 monomer

Biounit #2 monomer

Reference