8bts

Nitrogenase MoFe protein from A. vinelandii alpha double mutant C45A/L158C

Method: X-RAY DIFFRACTION

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

Nitrogenase protein alpha chain

Azotobacter vinelandii DJ

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 4	Nitrogenase molybdenum-iron protein beta chain × 2 （P07329） 3-HYDROXY-3-CARBOXY-ADIPIC ACID × 2 iron-sulfur-molybdenum cluster with interstitial carbon × 2 GLYCEROL × 10 SULFATE ION × 5 FE(8)-S(7) CLUSTER, OXIDIZED × 2 FE (III) ION × 2	Consistent with protein count
2	Protein heterocomplex	Heteromer	Protein 4	Nitrogenase molybdenum-iron protein beta chain × 2 （P07329） 3-HYDROXY-3-CARBOXY-ADIPIC ACID × 2 iron-sulfur-molybdenum cluster with interstitial carbon × 2 GLYCEROL × 2 SULFATE ION × 5 FE(8)-S(7) CLUSTER, OXIDIZED × 2 FE (III) ION × 2	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	C1DGZ7_AZOVD
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 11–500； UniProt 3–492 Author chain C； PDBConstruct 11–500； UniProt 3–492 Author chain H； PDBConstruct 11–500； UniProt 3–492 Author chain J； PDBConstruct 11–500； UniProt 3–492

Nitrogenase molybdenum-iron protein beta chain

Azotobacter vinelandii DJ

UniProt P07329

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 4	Nitrogenase protein alpha chain × 2 （C1DGZ7） 3-HYDROXY-3-CARBOXY-ADIPIC ACID × 2 iron-sulfur-molybdenum cluster with interstitial carbon × 2 GLYCEROL × 10 SULFATE ION × 5 FE(8)-S(7) CLUSTER, OXIDIZED × 2 FE (III) ION × 2	Consistent with protein count
2	Protein heterocomplex	Heteromer	Protein 4	Nitrogenase protein alpha chain × 2 （C1DGZ7） 3-HYDROXY-3-CARBOXY-ADIPIC ACID × 2 iron-sulfur-molybdenum cluster with interstitial carbon × 2 GLYCEROL × 2 SULFATE ION × 5 FE(8)-S(7) CLUSTER, OXIDIZED × 2 FE (III) ION × 2	Consistent with protein count

Other States of the Same Protein in the Database

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 Author chain I； PDBConstruct 1–523； UniProt 1–523 Author chain L； 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.

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	8bts
Deposition date deposition_date	2022-11-29
Structure title title	Nitrogenase MoFe protein from A. vinelandii alpha double mutant C45A/L158C
Keywords keywords	N2-fixation, Nitrogenase, cooperativity, ammonia, hydrogen, metalloenzyme, FeMo-cofactor, P cluster, O2-sensitivity, OXIDOREDUCTASE; OXIDOREDUCTASE
Experimental Method method	X-RAY DIFFRACTION

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3. Official assembly/model SAXS Official SAXS Profiles

This page reads only the latest assembly calculations. Every curve maps to an explicit PDB entry, official biological assembly and coordinate model.

8bts__assembly_1__model_1

Assembly 1 · Model 1 · CRYSOL 4.1.3-1-20251215 (887e7ef)

Download this curve (.dat)

8bts__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

8bts__assembly_1__model_1 | P(r) · Pending

P(r) will be calculated and displayed separately for the same assembly/model.

Rg（Guinier）	38.38 Å
Rg (electron density)	37.78 Å
Total Rg	38.18 Å
Atom count	16103
Residues	1998
Excluded volume	287290 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`8bts__assembly_1__model_1`	tetrameric （4）	Success	4.1.3-1-20251215 (887e7ef)	View Download
2	1	`8bts__assembly_2__model_1`	tetrameric （4）	Success	4.1.3-1-20251215 (887e7ef)	View Download

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4. Crystallography and Experiment 4. Crystallography & Experiment

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5. Entities and Polymers Entities & Polymers (8)

Entity 1 Entity 1 polymer

Description description	Nitrogenase protein alpha chain
Molecular weight formula_weight	56425.2 kDa
Source method src_method	man
Copy count entity_count	4

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,C,H,J
Atom count atom_count	32158

MTHHHHHHHHGMSREEVESLIQEVLEVYPEKARKDRNKHLAVNDPAVTQSKKAIISNKKSQPGLMTIRGCAYAGSKGVVWGPIKDMIHISHGPVGCGQYSRAGRRNYYIGTTGVNAFVTMNFTSDFQEKDIVFGGDKKLAKLIDEVETLFPLNKGISVQSECPIGCIGDDIESVSKVKGAELSKTIVPVRCEGFRGVSQSLGHHIANDAVRDWVLGKRDEDTTFASTPYDVAIIGDYNIGGDAWSSRILLEEMGLRCVAQWSGDGSISEIELTPKVKLNLVHCYRSMNYISRHMEEKYGIPWMEYNFFGPTKTIESLRAIAAKFDESIQKKCEEVIAKYKPEWEAVVAKYRPRLEGKRVMLYIGGLRPRHVIGAYEDLGMEVVGTGYEFAHNDDYDRTMKEMGDSTLLYDDVTGYEFEEFVKRIKPDLIGSGIKEKFIFQKMGIPFRQMHSWDYSGPYHGFDGFAIFARDMDMTLNNPCWKKLQAPWEASEGAEKVAASA

Source Source

Source organism organism	Azotobacter vinelandii DJ
NCBI taxonomy ID ncbi_taxonomy_id	322710
Host organism host_organism	Azotobacter vinelandii DJ

Entity 2 Entity 2 polymer

Description description	Nitrogenase molybdenum-iron protein beta chain
Molecular weight formula_weight	59535.9 kDa
EC 编号 ec_number	1.18.6.1
Source method src_method	man
Copy count entity_count	4

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	B,D,I,L

MSQQVDKIKASYPLFLDQDYKDMLAKKRDGFEEKYPQDKIDEVFQWTTTKEYQELNFQREALTVNPAKACQPLGAVLCALGFEKTMPYVHGSQGCVAYFRSYFNRHFREPVSCVSDSMTEDAAVFGGQQNMKDGLQNCKATYKPDMIAVSTTCMAEVIGDDLNAFINNSKKEGFIPDEFPVPFAHTPSFVGSHVTGWDNMFEGIARYFTLKSMDDKVVGSNKKINIVPGFETYLGNFRVIKRMLSEMGVGYSLLSDPEEVLDTPADGQFRMYAGGTTQEEMKDAPNALNTVLLQPWHLEKTKKFVEGTWKHEVPKLNIPMGLDWTDEFLMKVSEISGQPIPASLTKERGRLVDMMTDSHTWLHGKRFALWGDPDFVMGLVKFLLELGCEPVHILCHNGNKRWKKAVDAILAASPYGKNATVYIGKDLWHLRSLVFTDKPDFMIGNSYGKFIQRDTLHKGKEFEVPLIRIGFPIFDRHHLHRSTTLGYEGAMQILTTLVNSILERLDEETRGMQATDYNHDLVR

Source Source

Source organism organism	Azotobacter vinelandii DJ
NCBI taxonomy ID ncbi_taxonomy_id	322710
Host organism host_organism	Azotobacter vinelandii DJ

Entity 3 Entity 3 non-polymer

Description description	3-HYDROXY-3-CARBOXY-ADIPIC ACID
Molecular weight formula_weight	206.2 kDa
Source method src_method	syn
Copy count entity_count	4

Entity 4 Entity 4 non-polymer

Description description	iron-sulfur-molybdenum cluster with interstitial carbon
Molecular weight formula_weight	787.5 kDa
Source method src_method	syn
Copy count entity_count	4

Entity 5 Entity 5 non-polymer

Description description	GLYCEROL
Molecular weight formula_weight	92.1 kDa
Source method src_method	syn
Copy count entity_count	12

Entity 6 Entity 6 non-polymer

Description description	SULFATE ION
Molecular weight formula_weight	96.1 kDa
Source method src_method	syn
Copy count entity_count	10

Entity 7 Entity 7 non-polymer

Description description	FE(8)-S(7) CLUSTER, OXIDIZED
Molecular weight formula_weight	671.2 kDa
Source method src_method	syn
Copy count entity_count	4

Entity 8 Entity 8 non-polymer

Description description	FE (III) ION
Molecular weight formula_weight	55.8 kDa
Source method src_method	syn
Copy count entity_count	4

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Unit-cell length a length_a	148.392 Å
Unit-cell length b length_b	73.444 Å
Unit-cell length c length_c	211.253 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	104.76 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	8

Space group space_group	P 1 21 1
Space-group number int_tables_number	4
Crystal system crystal_system	—

Resolution resolution	3.030 Å
Low-resolution limit resolution_low	95.500 Å
R factor r_factor	0.2046
R_work r_work	0.2037
R_free r_free	0.2227

Nitrogenase MoFe protein from A. vinelandii alpha double mutant C45A/L158C

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

Nitrogenase protein alpha chain

State in the Current Structure

Other States of the Same Protein in the Database

Nitrogenase molybdenum-iron protein beta chain

State in the Current Structure

Other States of the Same Protein in the Database

2. Structure Basics 2. Structure Basics

3. Official assembly/model SAXS Official SAXS Profiles

8bts__assembly_1__model_1

8bts__assembly_1__model_1 | I(q)

8bts__assembly_1__model_1 | P(r) · Pending

4. Crystallography and Experiment 4. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

5. Entities and Polymers Entities & Polymers (8)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 polymer

Polymer Polymer

Source Source

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 non-polymer

Entity 6 Entity 6 non-polymer

Entity 7 Entity 7 non-polymer

Entity 8 Entity 8 non-polymer

7. Citations (1)

Nitrogenase MoFe protein from A. vinelandii alpha double mutant C45A/L158C

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

Nitrogenase protein alpha chain

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

Nitrogenase molybdenum-iron protein beta chain

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

2. Structure Basics 2. Structure Basics

3. Official assembly/model SAXS Official SAXS Profiles

8bts__assembly_1__model_1

8bts__assembly_1__model_1 | I(q)

8bts__assembly_1__model_1 | P(r) · Pending

4. Crystallography and Experiment 4. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

5. Entities and Polymers Entities & Polymers (8)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 polymer

Polymer Polymer

Source Source

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 non-polymer

Entity 6 Entity 6 non-polymer

Entity 7 Entity 7 non-polymer

Entity 8 Entity 8 non-polymer

7. Citations (1)