4lk1

Crystal Structure Analysis of the E.coli holoenzyme

Method: X-RAY DIFFRACTION Dmax: 258.6 Å Quality: GOOD

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

DNA-directed RNA polymerase subunit alpha

Escherichia coli

UniProt C9QXI7

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 × 6 PDB declaration: hexameric(6) Consistent with protein copy count Chain A; UniProt 1–234 Chain B; UniProt 1–234 Not recorded DNA-directed RNA polymerase subunit beta × 1 (C9QV90) ;DNA-directed RNA polymerase subunit beta' ; × 1 (C5A0S8) DNA-directed RNA polymerase subunit omega × 1 (C9QUL2) RNA polymerase sigma factor RpoD × 1 (P00579) MG MAGNESIUM ION × 1 ZN ZINC ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6;295 K;0.1 M MES, pH 6, 0.1 M calcium acetate, 12-15% PEG 400, 5 mM dithiothreitol, VAPOR DIFFUSION, HANGING DROP, temperature 295K Resolution 3.84 Å R-free 0.272
2 Protein heterocomplex Heteromer Protein × 6 PDB declaration: hexameric(6) Consistent with protein copy count Chain G; UniProt 1–234 Chain H; UniProt 1–234 Not recorded DNA-directed RNA polymerase subunit beta × 1 (C9QV90) ;DNA-directed RNA polymerase subunit beta' ; × 1 (C5A0S8) DNA-directed RNA polymerase subunit omega × 1 (C9QUL2) RNA polymerase sigma factor RpoD × 1 (P00579) MG MAGNESIUM ION × 1 ZN ZINC ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6;295 K;0.1 M MES, pH 6, 0.1 M calcium acetate, 12-15% PEG 400, 5 mM dithiothreitol, VAPOR DIFFUSION, HANGING DROP, temperature 295K Resolution 3.84 Å R-free 0.272

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.

3 other PDB entries and 6 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name C9QXI7_ECOD1
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–234; UniProt 1–234 Author chain B; PDBConstruct 1–234; UniProt 1–234 Author chain G; PDBConstruct 1–234; UniProt 1–234 Author chain H; PDBConstruct 1–234; UniProt 1–234

DNA-directed RNA polymerase subunit beta

Escherichia coli

UniProt C9QV90

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 × 6 PDB declaration: hexameric(6) Consistent with protein copy count Chain C; UniProt 1–1342 Not recorded DNA-directed RNA polymerase subunit alpha × 2 (C9QXI7) ;DNA-directed RNA polymerase subunit beta' ; × 1 (C5A0S8) DNA-directed RNA polymerase subunit omega × 1 (C9QUL2) RNA polymerase sigma factor RpoD × 1 (P00579) MG MAGNESIUM ION × 1 ZN ZINC ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6;295 K;0.1 M MES, pH 6, 0.1 M calcium acetate, 12-15% PEG 400, 5 mM dithiothreitol, VAPOR DIFFUSION, HANGING DROP, temperature 295K Resolution 3.84 Å R-free 0.272
2 Protein heterocomplex Heteromer Protein × 6 PDB declaration: hexameric(6) Consistent with protein copy count Chain I; UniProt 1–1342 Not recorded DNA-directed RNA polymerase subunit alpha × 2 (C9QXI7) ;DNA-directed RNA polymerase subunit beta' ; × 1 (C5A0S8) DNA-directed RNA polymerase subunit omega × 1 (C9QUL2) RNA polymerase sigma factor RpoD × 1 (P00579) MG MAGNESIUM ION × 1 ZN ZINC ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6;295 K;0.1 M MES, pH 6, 0.1 M calcium acetate, 12-15% PEG 400, 5 mM dithiothreitol, VAPOR DIFFUSION, HANGING DROP, temperature 295K Resolution 3.84 Å R-free 0.272

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.

4 other PDB entries and 8 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name C9QV90_ECOD1
Isoform
PDB entities 2
Chains and sequence ranges Author chain C; PDBConstruct 1–1342; UniProt 1–1342 Author chain I; PDBConstruct 1–1342; UniProt 1–1342

;DNA-directed RNA polymerase subunit beta' ;

Escherichia coli

UniProt C5A0S8

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 × 6 PDB declaration: hexameric(6) Consistent with protein copy count Chain D; UniProt 1–1407 Not recorded DNA-directed RNA polymerase subunit alpha × 2 (C9QXI7) DNA-directed RNA polymerase subunit beta × 1 (C9QV90) DNA-directed RNA polymerase subunit omega × 1 (C9QUL2) RNA polymerase sigma factor RpoD × 1 (P00579) MG MAGNESIUM ION × 1 ZN ZINC ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6;295 K;0.1 M MES, pH 6, 0.1 M calcium acetate, 12-15% PEG 400, 5 mM dithiothreitol, VAPOR DIFFUSION, HANGING DROP, temperature 295K Resolution 3.84 Å R-free 0.272
2 Protein heterocomplex Heteromer Protein × 6 PDB declaration: hexameric(6) Consistent with protein copy count Chain J; UniProt 1–1407 Not recorded DNA-directed RNA polymerase subunit alpha × 2 (C9QXI7) DNA-directed RNA polymerase subunit beta × 1 (C9QV90) DNA-directed RNA polymerase subunit omega × 1 (C9QUL2) RNA polymerase sigma factor RpoD × 1 (P00579) MG MAGNESIUM ION × 1 ZN ZINC ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6;295 K;0.1 M MES, pH 6, 0.1 M calcium acetate, 12-15% PEG 400, 5 mM dithiothreitol, VAPOR DIFFUSION, HANGING DROP, temperature 295K Resolution 3.84 Å R-free 0.272

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.

4 other PDB entries and 8 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name C5A0S8_ECOBW
Isoform
PDB entities 3
Chains and sequence ranges Author chain D; PDBConstruct 1–1407; UniProt 1–1407 Author chain J; PDBConstruct 1–1407; UniProt 1–1407

DNA-directed RNA polymerase subunit omega

Escherichia coli

UniProt C9QUL2

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 × 6 PDB declaration: hexameric(6) Consistent with protein copy count Chain E; UniProt 1–91 Not recorded DNA-directed RNA polymerase subunit alpha × 2 (C9QXI7) DNA-directed RNA polymerase subunit beta × 1 (C9QV90) ;DNA-directed RNA polymerase subunit beta' ; × 1 (C5A0S8) RNA polymerase sigma factor RpoD × 1 (P00579) MG MAGNESIUM ION × 1 ZN ZINC ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6;295 K;0.1 M MES, pH 6, 0.1 M calcium acetate, 12-15% PEG 400, 5 mM dithiothreitol, VAPOR DIFFUSION, HANGING DROP, temperature 295K Resolution 3.84 Å R-free 0.272
2 Protein heterocomplex Heteromer Protein × 6 PDB declaration: hexameric(6) Consistent with protein copy count Chain K; UniProt 1–91 Not recorded DNA-directed RNA polymerase subunit alpha × 2 (C9QXI7) DNA-directed RNA polymerase subunit beta × 1 (C9QV90) ;DNA-directed RNA polymerase subunit beta' ; × 1 (C5A0S8) RNA polymerase sigma factor RpoD × 1 (P00579) MG MAGNESIUM ION × 1 ZN ZINC ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6;295 K;0.1 M MES, pH 6, 0.1 M calcium acetate, 12-15% PEG 400, 5 mM dithiothreitol, VAPOR DIFFUSION, HANGING DROP, temperature 295K Resolution 3.84 Å R-free 0.272

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.

4 other PDB entries and 8 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name C9QUL2_ECOD1
Isoform
PDB entities 4
Chains and sequence ranges Author chain E; PDBConstruct 1–91; UniProt 1–91 Author chain K; PDBConstruct 1–91; UniProt 1–91

RNA polymerase sigma factor RpoD

Escherichia coli

UniProt P00579

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 × 6 PDB declaration: hexameric(6) Consistent with protein copy count Chain F; UniProt 1–613 Not recorded DNA-directed RNA polymerase subunit alpha × 2 (C9QXI7) DNA-directed RNA polymerase subunit beta × 1 (C9QV90) ;DNA-directed RNA polymerase subunit beta' ; × 1 (C5A0S8) DNA-directed RNA polymerase subunit omega × 1 (C9QUL2) MG MAGNESIUM ION × 1 ZN ZINC ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6;295 K;0.1 M MES, pH 6, 0.1 M calcium acetate, 12-15% PEG 400, 5 mM dithiothreitol, VAPOR DIFFUSION, HANGING DROP, temperature 295K Resolution 3.84 Å R-free 0.272
2 Protein heterocomplex Heteromer Protein × 6 PDB declaration: hexameric(6) Consistent with protein copy count Chain L; UniProt 1–613 Not recorded DNA-directed RNA polymerase subunit alpha × 2 (C9QXI7) DNA-directed RNA polymerase subunit beta × 1 (C9QV90) ;DNA-directed RNA polymerase subunit beta' ; × 1 (C5A0S8) DNA-directed RNA polymerase subunit omega × 1 (C9QUL2) MG MAGNESIUM ION × 1 ZN ZINC ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6;295 K;0.1 M MES, pH 6, 0.1 M calcium acetate, 12-15% PEG 400, 5 mM dithiothreitol, VAPOR DIFFUSION, HANGING DROP, temperature 295K Resolution 3.84 Å R-free 0.272

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.

91 other PDB entries and 131 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name RPOD_ECOLI
Isoform
PDB entities 5
Chains and sequence ranges Author chain F; PDBConstruct 1–613; UniProt 1–613 Author chain L; PDBConstruct 1–613; UniProt 1–613

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 4lk1

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 4lk1
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2. Structure Basics 2. Structure Basics

Entry ID entry_id4lk1
Deposition date deposition_date2013-07-05
Structure title titleCrystal Structure Analysis of the E.coli holoenzyme
Keywords keywordsTRANSFERASE; TRANSFERASE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier72.40
Radius of gyration Rg (electron density) rg_electron72.38
Forward intensity I(0) i09400420000.00
Molecular weight molecular_weight814330.0 kDa
Excluded volume excluded_volume1017500 ų
Envelope volume envelope_volume1685500 ų
Hydration-shell volume shell_volume187810 ų
Envelope diameter envelope_diameter265.1
Shell Rg shell_rg75.15
Envelope Rg envelope_rg70.54
Shape Rg shape_rg72.40
Total Rg total_rg72.38
Total atoms total_atoms57170
Residues n_residues7318
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 dmax258.6
Rg (real space) rg_real75.86
Rg uncertainty (real space) rg_real_error1.53
I(0) (real space) i0_real9.4270e+09
I(0) uncertainty (real space) i0_real_error1.8540e+08
Rg (reciprocal space) rg_reciprocal72.43
I(0) (reciprocal space) i0_reciprocal9401000000.0000
Solution quality estimate total_estimate0.8996
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary70.5
Skewness Skewness skewness0.475
Kurtosis Kurtosis kurtosis-0.125
Angular range angular_range— – 0.1100 −1
Current regularization parameter α current_alpha1.1280
Highest regularization parameter α highest_alpha1773000000.0000
Real-space data points n_real_points23
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.821; Stabil: 0.863; Sysdev: 1.000; Positv: 1.000; Valcen: 0.976; Smooth: 0.698

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (7)

7. Fold Classification (SCOP + CATH) 29 domains

CATH v4.4 (29 domains)

Domain ID domain_id4lk1A01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology1360 — Gyrase A; domain 2
Homologous superfamily homologous superfamily10 — RNA polymerase, RBP11-like subunit
Domain ID domain_id4lk1A02
Class class2 — Mainly Beta
Architecture architecture170 — Beta Complex
Topology topology120 — RNA Polymerase Alpha Subunit; Chain A, domain 2
Homologous superfamily homologous superfamily12 — DNA-directed RNA polymerase, insert domain
Domain ID domain_id4lk1B01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology1360 — Gyrase A; domain 2
Homologous superfamily homologous superfamily10 — RNA polymerase, RBP11-like subunit
Domain ID domain_id4lk1B02
Class class2 — Mainly Beta
Architecture architecture170 — Beta Complex
Topology topology120 — RNA Polymerase Alpha Subunit; Chain A, domain 2
Homologous superfamily homologous superfamily12 — DNA-directed RNA polymerase, insert domain
Domain ID domain_id4lk1C02
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology1110 — Dna-directed Rna Polymerase Ii 140kd Polypeptide; Chain: B; domain 3
Homologous superfamily homologous superfamily10 — RNA polymerase Rpb2, domain 2
Domain ID domain_id4lk1C04
Class class2 — Mainly Beta
Architecture architecture30 — Roll
Topology topology150 — Rna Polymerase Beta Subunit; Chain: C, domain 4
Homologous superfamily homologous superfamily10 — DNA-directed RNA polymerase, beta subunit, external 1 domain
Domain ID domain_id4lk1C05
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology270 — Dna-directed Rna Polymerase Ii 140kd Polypeptide; Chain: B; Domain 6
Homologous superfamily homologous superfamily10 — DNA-directed RNA polymerase, subunit 2, domain 6
Domain ID domain_id4lk1C06
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily100 — RNA polymerase II/Efflux pump adaptor protein, barrel-sandwich hybrid domain
Domain ID domain_id4lk1C07
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily150 — RNA polymerase II, Rpb2 subunit, wall domain
Domain ID domain_id4lk1C08
Class class6 — Special
Architecture architecture10 — Helix non-globular
Topology topology140 — Helix Hairpins
Homologous superfamily homologous superfamily1670
Domain ID domain_id4lk1E00
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology940 — Eukaryotic RPB6 RNA polymerase subunit
Homologous superfamily homologous superfamily10 — RNA polymerase subunit, RPB6/omega
Domain ID domain_id4lk1F02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology601 — RNA Polymerase Primary Sigma Factor
Homologous superfamily homologous superfamily10 — RNA Polymerase Primary Sigma Factor
Domain ID domain_id4lk1F03
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology10 — Arc Repressor Mutant, subunit A
Homologous superfamily homologous superfamily10 — Winged helix-like DNA-binding domain superfamily/Winged helix DNA-binding domain
Domain ID domain_id4lk1F04
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology10 — Arc Repressor Mutant, subunit A
Homologous superfamily homologous superfamily10 — Winged helix-like DNA-binding domain superfamily/Winged helix DNA-binding domain
Domain ID domain_id4lk1G01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology1360 — Gyrase A; domain 2
Homologous superfamily homologous superfamily10 — RNA polymerase, RBP11-like subunit
Domain ID domain_id4lk1G02
Class class2 — Mainly Beta
Architecture architecture170 — Beta Complex
Topology topology120 — RNA Polymerase Alpha Subunit; Chain A, domain 2
Homologous superfamily homologous superfamily12 — DNA-directed RNA polymerase, insert domain
Domain ID domain_id4lk1H01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology1360 — Gyrase A; domain 2
Homologous superfamily homologous superfamily10 — RNA polymerase, RBP11-like subunit
Domain ID domain_id4lk1H02
Class class2 — Mainly Beta
Architecture architecture170 — Beta Complex
Topology topology120 — RNA Polymerase Alpha Subunit; Chain A, domain 2
Homologous superfamily homologous superfamily12 — DNA-directed RNA polymerase, insert domain
Domain ID domain_id4lk1I01
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology270 — Dna-directed Rna Polymerase Ii 140kd Polypeptide; Chain: B; Domain 6
Homologous superfamily homologous superfamily10 — DNA-directed RNA polymerase, subunit 2, domain 6
Domain ID domain_id4lk1I02
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology1100 — Rna Polymerase Beta Subunit; Chain: C,domain 2
Homologous superfamily homologous superfamily10
Domain ID domain_id4lk1I04
Class class2 — Mainly Beta
Architecture architecture30 — Roll
Topology topology150 — Rna Polymerase Beta Subunit; Chain: C, domain 4
Homologous superfamily homologous superfamily10 — DNA-directed RNA polymerase, beta subunit, external 1 domain
Domain ID domain_id4lk1I05
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily100 — RNA polymerase II/Efflux pump adaptor protein, barrel-sandwich hybrid domain
Domain ID domain_id4lk1I06
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily150 — RNA polymerase II, Rpb2 subunit, wall domain
Domain ID domain_id4lk1I07
Class class6 — Special
Architecture architecture10 — Helix non-globular
Topology topology140 — Helix Hairpins
Homologous superfamily homologous superfamily1670
Domain ID domain_id4lk1J01
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily100 — RNA polymerase II/Efflux pump adaptor protein, barrel-sandwich hybrid domain
Domain ID domain_id4lk1K00
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology940 — Eukaryotic RPB6 RNA polymerase subunit
Homologous superfamily homologous superfamily10 — RNA polymerase subunit, RPB6/omega
Domain ID domain_id4lk1L02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology601 — RNA Polymerase Primary Sigma Factor
Homologous superfamily homologous superfamily10 — RNA Polymerase Primary Sigma Factor
Domain ID domain_id4lk1L03
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology10 — Arc Repressor Mutant, subunit A
Homologous superfamily homologous superfamily10 — Winged helix-like DNA-binding domain superfamily/Winged helix DNA-binding domain
Domain ID domain_id4lk1L04
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology10 — Arc Repressor Mutant, subunit A
Homologous superfamily homologous superfamily10 — Winged helix-like DNA-binding domain superfamily/Winged helix DNA-binding domain

8. Citations (1)

9. Files and Curves (10)