1mg3

MUTATION OF ALPHA PHE55 OF METHYLAMINE DEHYDROGENASE ALTERS THE REORGANIZATION ENERGY AND ELECTRONIC COUPLING FOR ITS ELECTRON TRANSFER REACTION WITH AMICYANIN

Method: X-RAY DIFFRACTION Dmax: 190.2 Å Quality: GOOD

1. Protein Identity and Related Structures Protein Identity & Related Structures

Methylamine dehydrogenase, heavy chain

Paracoccus denitrificans

UniProt P29894

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 8 PDB declaration: octameric(8) Consistent with protein copy count Chain A; UniProt 28–417 Chain E; UniProt 28–417 Mutation:F55A Methylamine dehydrogenase, light chain × 2 (P22619) Amicyanin × 2 (P22364) CYTOCHROME C-L × 2 (P29889) PO4 PHOSPHATE ION × 4 CU COPPER (II) ION × 2 NA SODIUM ION × 2 HEC HEME C × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 5;295 K;phosphate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K Resolution 2.40 Å R-free 0.246
2 Protein heterocomplex Heteromer Protein × 8 PDB declaration: octameric(8) Consistent with protein copy count Chain I; UniProt 28–417 Chain M; UniProt 28–417 Mutation:F55A Methylamine dehydrogenase, light chain × 2 (P22619) Amicyanin × 2 (P22364) CYTOCHROME C-L × 2 (P29889) PO4 PHOSPHATE ION × 4 CU COPPER (II) ION × 2 NA SODIUM ION × 2 HEC HEME C × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 5;295 K;phosphate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K Resolution 2.40 Å R-free 0.246

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

7 other PDB entries and 12 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name DHMH_PARDE
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–390; UniProt 28–417 Author chain E; PDBConstruct 1–390; UniProt 28–417 Author chain I; PDBConstruct 1–390; UniProt 28–417 Author chain M; PDBConstruct 1–390; UniProt 28–417

Methylamine dehydrogenase, light chain

Paracoccus denitrificans

UniProt P22619

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 8 PDB declaration: octameric(8) Consistent with protein copy count Chain B; UniProt 58–188 Chain F; UniProt 58–188 Non-standard monomer:Yes (specific site not provided by mmCIF) Methylamine dehydrogenase, heavy chain × 2 (P29894) Amicyanin × 2 (P22364) CYTOCHROME C-L × 2 (P29889) PO4 PHOSPHATE ION × 4 CU COPPER (II) ION × 2 NA SODIUM ION × 2 HEC HEME C × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 5;295 K;phosphate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K Resolution 2.40 Å R-free 0.246
2 Protein heterocomplex Heteromer Protein × 8 PDB declaration: octameric(8) Consistent with protein copy count Chain J; UniProt 58–188 Chain N; UniProt 58–188 Non-standard monomer:Yes (specific site not provided by mmCIF) Methylamine dehydrogenase, heavy chain × 2 (P29894) Amicyanin × 2 (P22364) CYTOCHROME C-L × 2 (P29889) PO4 PHOSPHATE ION × 4 CU COPPER (II) ION × 2 NA SODIUM ION × 2 HEC HEME C × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 5;295 K;phosphate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K Resolution 2.40 Å R-free 0.246

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

28 other PDB entries and 36 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name DHML_PARDE
Isoform
PDB entities 2
Chains and sequence ranges Author chain B; PDBConstruct 1–131; UniProt 58–188 Author chain F; PDBConstruct 1–131; UniProt 58–188 Author chain J; PDBConstruct 1–131; UniProt 58–188 Author chain N; PDBConstruct 1–131; UniProt 58–188

Amicyanin

Paracoccus denitrificans

UniProt P22364

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 8 PDB declaration: octameric(8) Consistent with protein copy count Chain C; UniProt 27–131 Chain G; UniProt 27–131 Not recorded Methylamine dehydrogenase, heavy chain × 2 (P29894) Methylamine dehydrogenase, light chain × 2 (P22619) CYTOCHROME C-L × 2 (P29889) PO4 PHOSPHATE ION × 4 CU COPPER (II) ION × 2 NA SODIUM ION × 2 HEC HEME C × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 5;295 K;phosphate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K Resolution 2.40 Å R-free 0.246
2 Protein heterocomplex Heteromer Protein × 8 PDB declaration: octameric(8) Consistent with protein copy count Chain K; UniProt 27–131 Chain O; UniProt 27–131 Not recorded Methylamine dehydrogenase, heavy chain × 2 (P29894) Methylamine dehydrogenase, light chain × 2 (P22619) CYTOCHROME C-L × 2 (P29889) PO4 PHOSPHATE ION × 4 CU COPPER (II) ION × 2 NA SODIUM ION × 2 HEC HEME C × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 5;295 K;phosphate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K Resolution 2.40 Å R-free 0.246

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

34 other PDB entries and 56 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name AMCY_PARDE
Isoform
PDB entities 3
Chains and sequence ranges Author chain C; PDBConstruct 1–105; UniProt 27–131 Author chain G; PDBConstruct 1–105; UniProt 27–131 Author chain K; PDBConstruct 1–105; UniProt 27–131 Author chain O; PDBConstruct 1–105; UniProt 27–131

CYTOCHROME C-L

Paracoccus denitrificans

UniProt P29889

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 8 PDB declaration: octameric(8) Consistent with protein copy count Chain D; UniProt 23–177 Chain H; UniProt 23–177 Not recorded Methylamine dehydrogenase, heavy chain × 2 (P29894) Methylamine dehydrogenase, light chain × 2 (P22619) Amicyanin × 2 (P22364) PO4 PHOSPHATE ION × 4 CU COPPER (II) ION × 2 NA SODIUM ION × 2 HEC HEME C × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 5;295 K;phosphate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K Resolution 2.40 Å R-free 0.246
2 Protein heterocomplex Heteromer Protein × 8 PDB declaration: octameric(8) Consistent with protein copy count Chain L; UniProt 23–177 Chain P; UniProt 23–177 Not recorded Methylamine dehydrogenase, heavy chain × 2 (P29894) Methylamine dehydrogenase, light chain × 2 (P22619) Amicyanin × 2 (P22364) PO4 PHOSPHATE ION × 4 CU COPPER (II) ION × 2 NA SODIUM ION × 2 HEC HEME C × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 5;295 K;phosphate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K Resolution 2.40 Å R-free 0.246

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

1 other PDB entries and 2 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name CYCL_PARDE
Isoform
PDB entities 4
Chains and sequence ranges Author chain D; PDBConstruct 1–155; UniProt 23–177 Author chain H; PDBConstruct 1–155; UniProt 23–177 Author chain L; PDBConstruct 1–155; UniProt 23–177 Author chain P; PDBConstruct 1–155; UniProt 23–177

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 1mg3

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 1mg3
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2. Structure Basics 2. Structure Basics

Entry ID entry_id1mg3
Deposition date deposition_date2002-08-14
Structure title titleMUTATION OF ALPHA PHE55 OF METHYLAMINE DEHYDROGENASE ALTERS THE REORGANIZATION ENERGY AND ELECTRONIC COUPLING FOR ITS ELECTRON TRANSFER REACTION WITH AMICYANIN
Keywords keywords;electron transfer, methylamine dehydrogenase, cytochrome, blue copper protein, active site mutant, phenylhydrazine adduct., OXIDOREDUCTASE ;; OXIDOREDUCTASE
Experimental Method methodX-RAY DIFFRACTION

3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier57.26
Radius of gyration Rg (electron density) rg_electron57.14
Forward intensity I(0) i01684870000.00
Molecular weight molecular_weight337220.0 kDa
Excluded volume excluded_volume417190 ų
Envelope volume envelope_volume593910 ų
Hydration-shell volume shell_volume84106 ų
Envelope diameter envelope_diameter209.1
Shell Rg shell_rg63.84
Envelope Rg envelope_rg55.37
Shape Rg shape_rg57.16
Total Rg total_rg57.24
Total atoms total_atoms23720
Residues n_residues3032
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 −1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3

4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax190.2
Rg (real space) rg_real57.22
Rg uncertainty (real space) rg_real_error2.05
I(0) (real space) i0_real1.6850e+09
I(0) uncertainty (real space) i0_real_error3.6650e+07
Rg (reciprocal space) rg_reciprocal57.27
I(0) (reciprocal space) i0_reciprocal1685000000.0000
Solution quality estimate total_estimate0.8546
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary42.3
Skewness Skewness skewness0.154
Kurtosis Kurtosis kurtosis-0.585
Angular range angular_range— – 0.1350 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha142900000.0000
Real-space data points n_real_points28
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.784; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.967; Smooth: 0.785

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (9)

7. Fold Classification (SCOP + CATH) 32 domains

SCOP 2.08 (16 domains)

Domain ID domain_idd1mg3a_
Class classb — All beta proteins
Fold Fold foldb.69 — 7-bladed beta-propeller
Superfamily Superfamily superfamilyb.69.2 — YVTN repeat-like/Quinoprotein amine dehydrogenase
Family Family familyb.69.2.1 — Methylamine dehydrogenase, H-chain
Domain ID domain_idd1mg3b_
Class classg — Small proteins
Fold Fold foldg.21 — Methylamine dehydrogenase, L chain
Superfamily Superfamily superfamilyg.21.1 — Methylamine dehydrogenase, L chain
Family Family familyg.21.1.1 — Methylamine dehydrogenase, L chain
Domain ID domain_idd1mg3c_
Class classb — All beta proteins
Fold Fold foldb.6 — Cupredoxin-like
Superfamily Superfamily superfamilyb.6.1 — Cupredoxins
Family Family familyb.6.1.1 — Plastocyanin/azurin-like
Domain ID domain_idd1mg3d_
Class classa — All alpha proteins
Fold Fold folda.3 — Cytochrome c
Superfamily Superfamily superfamilya.3.1 — Cytochrome c
Family Family familya.3.1.1 — monodomain cytochrome c
Domain ID domain_idd1mg3e_
Class classb — All beta proteins
Fold Fold foldb.69 — 7-bladed beta-propeller
Superfamily Superfamily superfamilyb.69.2 — YVTN repeat-like/Quinoprotein amine dehydrogenase
Family Family familyb.69.2.1 — Methylamine dehydrogenase, H-chain
Domain ID domain_idd1mg3f_
Class classg — Small proteins
Fold Fold foldg.21 — Methylamine dehydrogenase, L chain
Superfamily Superfamily superfamilyg.21.1 — Methylamine dehydrogenase, L chain
Family Family familyg.21.1.1 — Methylamine dehydrogenase, L chain
Domain ID domain_idd1mg3g_
Class classb — All beta proteins
Fold Fold foldb.6 — Cupredoxin-like
Superfamily Superfamily superfamilyb.6.1 — Cupredoxins
Family Family familyb.6.1.1 — Plastocyanin/azurin-like
Domain ID domain_idd1mg3h_
Class classa — All alpha proteins
Fold Fold folda.3 — Cytochrome c
Superfamily Superfamily superfamilya.3.1 — Cytochrome c
Family Family familya.3.1.1 — monodomain cytochrome c
Domain ID domain_idd1mg3i_
Class classb — All beta proteins
Fold Fold foldb.69 — 7-bladed beta-propeller
Superfamily Superfamily superfamilyb.69.2 — YVTN repeat-like/Quinoprotein amine dehydrogenase
Family Family familyb.69.2.1 — Methylamine dehydrogenase, H-chain
Domain ID domain_idd1mg3j_
Class classg — Small proteins
Fold Fold foldg.21 — Methylamine dehydrogenase, L chain
Superfamily Superfamily superfamilyg.21.1 — Methylamine dehydrogenase, L chain
Family Family familyg.21.1.1 — Methylamine dehydrogenase, L chain
Domain ID domain_idd1mg3k_
Class classb — All beta proteins
Fold Fold foldb.6 — Cupredoxin-like
Superfamily Superfamily superfamilyb.6.1 — Cupredoxins
Family Family familyb.6.1.1 — Plastocyanin/azurin-like
Domain ID domain_idd1mg3l_
Class classa — All alpha proteins
Fold Fold folda.3 — Cytochrome c
Superfamily Superfamily superfamilya.3.1 — Cytochrome c
Family Family familya.3.1.1 — monodomain cytochrome c
Domain ID domain_idd1mg3m_
Class classb — All beta proteins
Fold Fold foldb.69 — 7-bladed beta-propeller
Superfamily Superfamily superfamilyb.69.2 — YVTN repeat-like/Quinoprotein amine dehydrogenase
Family Family familyb.69.2.1 — Methylamine dehydrogenase, H-chain
Domain ID domain_idd1mg3n_
Class classg — Small proteins
Fold Fold foldg.21 — Methylamine dehydrogenase, L chain
Superfamily Superfamily superfamilyg.21.1 — Methylamine dehydrogenase, L chain
Family Family familyg.21.1.1 — Methylamine dehydrogenase, L chain
Domain ID domain_idd1mg3o_
Class classb — All beta proteins
Fold Fold foldb.6 — Cupredoxin-like
Superfamily Superfamily superfamilyb.6.1 — Cupredoxins
Family Family familyb.6.1.1 — Plastocyanin/azurin-like
Domain ID domain_idd1mg3p_
Class classa — All alpha proteins
Fold Fold folda.3 — Cytochrome c
Superfamily Superfamily superfamilya.3.1 — Cytochrome c
Family Family familya.3.1.1 — monodomain cytochrome c

CATH v4.4 (16 domains)

Domain ID domain_id1mg3A00
Class class2 — Mainly Beta
Architecture architecture130 — 7 Propeller
Topology topology10 — Methylamine Dehydrogenase; Chain H
Homologous superfamily homologous superfamily10 — YVTN repeat-like/Quinoprotein amine dehydrogenase
Domain ID domain_id1mg3B00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology30 — Electron Transport Ethylamine Dehydrogenase
Homologous superfamily homologous superfamily10 — Methylamine/Aralkylamine dehydrogenase light chain
Domain ID domain_id1mg3C00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily420 — Cupredoxins - blue copper proteins
Domain ID domain_id1mg3D00
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology760 — Cytochrome Bc1 Complex; Chain D, domain 2
Homologous superfamily homologous superfamily10 — Cytochrome c-like domain
Domain ID domain_id1mg3E00
Class class2 — Mainly Beta
Architecture architecture130 — 7 Propeller
Topology topology10 — Methylamine Dehydrogenase; Chain H
Homologous superfamily homologous superfamily10 — YVTN repeat-like/Quinoprotein amine dehydrogenase
Domain ID domain_id1mg3F00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology30 — Electron Transport Ethylamine Dehydrogenase
Homologous superfamily homologous superfamily10 — Methylamine/Aralkylamine dehydrogenase light chain
Domain ID domain_id1mg3G00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily420 — Cupredoxins - blue copper proteins
Domain ID domain_id1mg3H00
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology760 — Cytochrome Bc1 Complex; Chain D, domain 2
Homologous superfamily homologous superfamily10 — Cytochrome c-like domain
Domain ID domain_id1mg3I00
Class class2 — Mainly Beta
Architecture architecture130 — 7 Propeller
Topology topology10 — Methylamine Dehydrogenase; Chain H
Homologous superfamily homologous superfamily10 — YVTN repeat-like/Quinoprotein amine dehydrogenase
Domain ID domain_id1mg3J00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology30 — Electron Transport Ethylamine Dehydrogenase
Homologous superfamily homologous superfamily10 — Methylamine/Aralkylamine dehydrogenase light chain
Domain ID domain_id1mg3K00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily420 — Cupredoxins - blue copper proteins
Domain ID domain_id1mg3L00
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology760 — Cytochrome Bc1 Complex; Chain D, domain 2
Homologous superfamily homologous superfamily10 — Cytochrome c-like domain
Domain ID domain_id1mg3M00
Class class2 — Mainly Beta
Architecture architecture130 — 7 Propeller
Topology topology10 — Methylamine Dehydrogenase; Chain H
Homologous superfamily homologous superfamily10 — YVTN repeat-like/Quinoprotein amine dehydrogenase
Domain ID domain_id1mg3N00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology30 — Electron Transport Ethylamine Dehydrogenase
Homologous superfamily homologous superfamily10 — Methylamine/Aralkylamine dehydrogenase light chain
Domain ID domain_id1mg3O00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily420 — Cupredoxins - blue copper proteins
Domain ID domain_id1mg3P00
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology760 — Cytochrome Bc1 Complex; Chain D, domain 2
Homologous superfamily homologous superfamily10 — Cytochrome c-like domain

8. Citations (2)

9. Files and Curves (10)