6o7p

Nitrogenase MoFeP mutant F99Y from Azotobacter vinelandii in the dithionite reduced state

Method: X-RAY DIFFRACTION Dmax: 122.3 Å Quality: GOOD

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

Nitrogenase molybdenum-iron protein alpha chain

OrganismNot specified

UniProt P07328

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 × 4 PDB declaration: tetrameric(4) Consistent with protein copy count Chain A; UniProt 1–492 Chain C; UniProt 1–492 Not recorded Nitrogenase molybdenum-iron protein beta chain × 2 (P07329) HCA 3-HYDROXY-3-CARBOXY-ADIPIC ACID × 2 ICS iron-sulfur-molybdenum cluster with interstitial carbon × 2 CLF FE(8)-S(7) CLUSTER × 2 FE FE (III) ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 8.3;293 K;22% PEG 8000, 100 mM Tris pH 8.3, 500 mM NaCl, 10 mM dithionite Resolution 1.70 Å R-free 0.201

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.

83 other PDB entries and 89 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name NIFD_AZOVI
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–492; UniProt 1–492 Author chain C; PDBConstruct 1–492; UniProt 1–492

Nitrogenase molybdenum-iron protein beta chain

OrganismNot specified

UniProt P07329

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 × 4 PDB declaration: tetrameric(4) Consistent with protein copy count Chain B; UniProt 1–523 Chain D; UniProt 1–523 Mutation:F99Y Nitrogenase molybdenum-iron protein alpha chain × 2 (P07328) HCA 3-HYDROXY-3-CARBOXY-ADIPIC ACID × 2 ICS iron-sulfur-molybdenum cluster with interstitial carbon × 2 CLF FE(8)-S(7) CLUSTER × 2 FE FE (III) ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 8.3;293 K;22% PEG 8000, 100 mM Tris pH 8.3, 500 mM NaCl, 10 mM dithionite Resolution 1.70 Å R-free 0.201

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.

74 other PDB entries and 81 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name NIFK_AZOVI
Isoform
PDB entities 2
Chains and sequence ranges Author chain B; PDBConstruct 1–523; UniProt 1–523 Author chain D; PDBConstruct 1–523; UniProt 1–523

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 6o7p

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 6o7p
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2. Structure Basics 2. Structure Basics

Entry ID entry_id6o7p
Deposition date deposition_date2019-03-08
Structure title titleNitrogenase MoFeP mutant F99Y from Azotobacter vinelandii in the dithionite reduced state
Keywords keywordsNitrogenase, F99Y, MoFeP, OXIDOREDUCTASE; OXIDOREDUCTASE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier38.34
Radius of gyration Rg (electron density) rg_electron37.69
Forward intensity I(0) i0792224000.00
Molecular weight molecular_weight228650.0 kDa
Excluded volume excluded_volume284290 ų
Envelope volume envelope_volume328360 ų
Hydration-shell volume shell_volume69204 ų
Envelope diameter envelope_diameter123.1
Shell Rg shell_rg46.23
Envelope Rg envelope_rg37.73
Shape Rg shape_rg37.70
Total Rg total_rg38.09
Total atoms total_atoms31425
Residues n_residues1998
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 dmax122.3
Rg (real space) rg_real38.23
Rg uncertainty (real space) rg_real_error0.84
I(0) (real space) i0_real7.9220e+08
I(0) uncertainty (real space) i0_real_error1.2890e+07
Rg (reciprocal space) rg_reciprocal38.30
I(0) (reciprocal space) i0_reciprocal792300000.0000
Solution quality estimate total_estimate0.8963
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary44.8
Skewness Skewness skewness0.255
Kurtosis Kurtosis kurtosis-0.545
Angular range angular_range— – 0.2050 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha245500000.0000
Real-space data points n_real_points42
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.916; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.904

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (7)

7. Fold Classification (SCOP + CATH) 18 domains

SCOP 2.08 (4 domains)

Domain ID domain_idd6o7pa_
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.92 — Chelatase-like
Superfamily Superfamily superfamilyc.92.2 — 'Helical backbone' metal receptor
Family Family familyc.92.2.3 — Nitrogenase iron-molybdenum protein
Domain ID domain_idd6o7pb_
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.92 — Chelatase-like
Superfamily Superfamily superfamilyc.92.2 — 'Helical backbone' metal receptor
Family Family familyc.92.2.3 — Nitrogenase iron-molybdenum protein
Domain ID domain_idd6o7pc_
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.92 — Chelatase-like
Superfamily Superfamily superfamilyc.92.2 — 'Helical backbone' metal receptor
Family Family familyc.92.2.3 — Nitrogenase iron-molybdenum protein
Domain ID domain_idd6o7pd_
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.92 — Chelatase-like
Superfamily Superfamily superfamilyc.92.2 — 'Helical backbone' metal receptor
Family Family familyc.92.2.3 — Nitrogenase iron-molybdenum protein

CATH v4.4 (14 domains)

Domain ID domain_id6o7pA01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily1980 — Nitrogenase molybdenum iron protein domain
Domain ID domain_id6o7pA02
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily1980 — Nitrogenase molybdenum iron protein domain
Domain ID domain_id6o7pA03
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily1980 — Nitrogenase molybdenum iron protein domain
Domain ID domain_id6o7pB01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily1980 — Nitrogenase molybdenum iron protein domain
Domain ID domain_id6o7pB02
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily1980 — Nitrogenase molybdenum iron protein domain
Domain ID domain_id6o7pB03
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology89 — Nitrogenase Molybdenum-iron Protein, subunit B; domain 4
Homologous superfamily homologous superfamily10 — Nitrogenase Molybdenum-iron Protein, subunit B, domain 4
Domain ID domain_id6o7pB04
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily1980 — Nitrogenase molybdenum iron protein domain
Domain ID domain_id6o7pC01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily1980 — Nitrogenase molybdenum iron protein domain
Domain ID domain_id6o7pC02
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily1980 — Nitrogenase molybdenum iron protein domain
Domain ID domain_id6o7pC03
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily1980 — Nitrogenase molybdenum iron protein domain
Domain ID domain_id6o7pD01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily1980 — Nitrogenase molybdenum iron protein domain
Domain ID domain_id6o7pD02
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily1980 — Nitrogenase molybdenum iron protein domain
Domain ID domain_id6o7pD03
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology89 — Nitrogenase Molybdenum-iron Protein, subunit B; domain 4
Homologous superfamily homologous superfamily10 — Nitrogenase Molybdenum-iron Protein, subunit B, domain 4
Domain ID domain_id6o7pD04
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily1980 — Nitrogenase molybdenum iron protein domain

8. Citations (1)

9. Files and Curves (10)