- PDB-2hae: Crystal structure of a putative malic enzyme (malate oxidoreductase) -
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Open data
ID or keywords:
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Basic information
Entry
Database: PDB / ID: 2hae
Title
Crystal structure of a putative malic enzyme (malate oxidoreductase)
Components
Malate oxidoreductase
Keywords
OXIDOREDUCTASE / HYPOTHETICAL PROTEIN / PUTATIVE MALIC ENZYME / MALATE:NAD+ OXIDOREDUCTASE / Structural Genomics / PSI-2 / Protein Structure Initiative / New York SGX Research Center for Structural Genomics / NYSGXRC
Function / homology
Function and homology information
malic enzyme activity / oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor / NAD binding / metal ion binding Similarity search - Function
SEQUENCE The authors state that residue at position 6 is Leu according to their sequence and also ...SEQUENCE The authors state that residue at position 6 is Leu according to their sequence and also the electron density fits Leu well.
Resolution: 3.13→50 Å / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 0 / Stereochemistry target values: Engh & Huber Details: Residues listed in remark 465 were not modeled due to lack of electron density.
Rfactor
Num. reflection
Selection details
Rfree
0.2819
2425
random
Rwork
0.2421
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-
obs
0.2421
32129
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all
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34848
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Displacement parameters
Biso mean: 53.6 Å2
Baniso -1
Baniso -2
Baniso -3
1-
4.43 Å2
13.36 Å2
0 Å2
2-
-
4.43 Å2
0 Å2
3-
-
-
-8.86 Å2
Refine analyze
Free
Obs
Luzzati coordinate error
0.5 Å
0.41 Å
Luzzati d res low
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5 Å
Luzzati sigma a
0.6 Å
0.58 Å
Refinement step
Cycle: LAST / Resolution: 3.13→50 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
11440
0
133
183
11756
Refine LS restraints
Refine-ID
Type
Dev ideal
X-RAY DIFFRACTION
c_bond_d
0.009
X-RAY DIFFRACTION
c_angle_deg
1.47
X-RAY DIFFRACTION
c_improper_angle_d
1.08
X-RAY DIFFRACTION
c_mcbond_it
0.98
LS refinement shell
Resolution: 3.1→3.29 Å / Rfactor Rfree error: 0.023
Rfactor
Num. reflection
% reflection
Rfree
0.365
246
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Rwork
0.352
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obs
-
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66.6 %
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