1SMM: Cp Rd L41A mutant in oxidized state

Crystal Structure of Cp Rd L41A mutant in oxidized state. Determined by X-ray diffraction at 1.36 Å resolution. Released 16 Mar 2004.

Method: X-ray diffraction
Resolution: 1.36 Å
Organism: Clostridium pasteurianum
Chains: 1
Atoms: 462
Mol. weight: 6.16 kDa
Ligands: FE
Released: 16 Mar 2004

Explore 1SMM in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

1SMM contains 3 α-helices and 7 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 3 helices, 7 β-strands

Element	Residues	Length	Sheet
β-strand	4-6	3	1
β-strand	12-13	2	1
β-strand	19	1	2
α-helix	20-22	3
β-strand	24	1	2
α-helix	30-32	3
β-strand	38	1	3
β-strand	45	1	3
α-helix	46-48	3
β-strand	49-51	3	1

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Rubredoxin	A	protein	54	Clostridium pasteurianum	P00268 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>1SMM_1 Rubredoxin (chains A)
MKKYTCTVCGYIYNPEDGDPDNGVNPGTDFKDIPDDWVCPACGVGKDQFEEVEE

Ligands and cofactors

ID	Name	Formula	Copies
FE	FE (III) ion	Fe	1

Water and common crystallization additives (SO4) are not listed.

Primary citation

The unique hydrogen bonded water in the reduced form of Clostridium pasteurianum rubredoxin and its possible role in electron transfer. Park, I.Y., Youn, B., Harley, J.L. et al. J Biol Inorg Chem (2004) 9:423-428. DOI 10.1007/s00775-004-0542-3 · PubMed

Other PDB entries of the same protein (UniProt P00268 (AlphaFold model), which also has an AlphaFold model), best resolution first:

2PVE 0.79 Å, NMR and X-ray Analysis of Structural Additivity in Metal Binding Site-Swapped Hybrids of…
1IRO 1.1 Å, Rubredoxin (oxidized, fe(iii)) at 1.1 Å resolution
1IRN 1.2 Å, Rubredoxin (ZN-substituted) at 1.2 Å resolution
4RXN 1.2 Å, Crystallographic refinement of rubredoxin at 1.2 Å resolution
5RXN 1.2 Å, Combined crystallographic refinement and energy minimization of rubredoxin at 1.2 Å…
1SMW 1.38 Å, Crystal Structure of Cp Rd L41A mutant in reduced state 2 (soaked)
1SMU 1.43 Å, Crystal Structure of Cp Rd L41A mutant in reduced state 1 (drop-reduced)
1B13 1.5 Å, Clostridium pasteurianum rubredoxin G10A mutant
1FHH 1.5 Å, X-ray crystal structure of oxidized rubredoxin
1FHM 1.5 Å, X-ray crystal structure of reduced rubredoxin
1R0I 1.5 Å, cadmium-substituted rubredoxin
1T9P 1.5 Å, Crystal Structure of V44A, G45P Cp Rubredoxin

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