› 4iym

X-ray diffraction
2.2Å resolution

Crystal structure of putative methylmalonate-semialdehyde dehydrogenase from Sinorhizobium meliloti 1021 complexed with NAD, target 011934

Released:
DOI: 10.2210/pdb4iym/pdb
PDB entry 4iym coloured by chain, front view.
PDB entry 4iym coloured by chain, side view.
PDB entry 4iym coloured by chain, top view.
Source organism: Sinorhizobium meliloti 1021
Entry authors: Malashkevich VN, Bhosle R, Toro R, Hillerich B, Gizzi A, Garforth S, Kar A, Chan MK, Lafluer J, Patel H, Matikainen B, Chamala S, Lim S, Celikgil A, Villegas G, Evans B, Zenchek W, Love J, Fiser A, Khafizov K, Seidel R, Bonanno JB, Almo SC, New York Structural Genomics Research Consortium (NYSGRC)

Function and Biology Details

Reaction catalysed: 
2-methyl-3-oxopropanoate + CoA + H(2)O + NAD(+) = propanoyl-CoA + HCO(3)(-) + NADH
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-187919 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
methylmalonate-semialdehyde dehydrogenase (CoA acylating) Chains: A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P
Molecule details ›
Chains: A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P
Length: 521 amino acids
Theoretical weight: 57.24 KDa
Source organism: Sinorhizobium meliloti 1021
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q92RW4 (Residues: 1-498; Coverage: 100%)
Gene names: SMc00781, iolA, mmsA
Sequence domains: Aldehyde dehydrogenase family
Structure domains:

Ligands and Environments


Cofactor: Ligand NAD 16 x NAD
1 bound ligand:
Ligand MG 6 x MG
1 modified residue:
Ligand MSE 336 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: P21
Unit cell:
a: 159.472Å b: 170.91Å c: 170.466Å
α: 90° β: 106.33° γ: 90°
R-values:
R R work R free
0.167 0.165 0.209
Expression system: Escherichia coli BL21(DE3)

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