1ynn

Taq RNA polymerase-rifampicin complex

Method: X-RAY DIFFRACTION Dmax: 215.8 Å Quality: REASONABLE

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

DNA-directed RNA polymerase alpha chain

OrganismNot specified

UniProt Q9KWU8

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 1–314 Chain B; UniProt 1–314 Not recorded DNA-directed RNA polymerase beta chain × 1 (Q9KWU7) ;DNA-directed RNA polymerase beta' chain ; × 2 (Q9KWU6) DNA-directed RNA polymerase omega chain × 1 (Q9EVV4) RFP RIFAMPICIN × 1 ZN ZINC ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 8;295 K;Tris, magnesium sulfate, ammonium sulfate, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 295K Resolution 3.30 Å R-free 0.331

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.

12 other PDB entries and 20 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name RPOA_THEAQ
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–314; UniProt 1–314 Author chain B; PDBConstruct 1–314; UniProt 1–314

DNA-directed RNA polymerase beta chain

OrganismNot specified

UniProt Q9KWU7

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 1–1119 Not recorded DNA-directed RNA polymerase alpha chain × 2 (Q9KWU8) ;DNA-directed RNA polymerase beta' chain ; × 2 (Q9KWU6) DNA-directed RNA polymerase omega chain × 1 (Q9EVV4) RFP RIFAMPICIN × 1 ZN ZINC ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 8;295 K;Tris, magnesium sulfate, ammonium sulfate, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 295K Resolution 3.30 Å R-free 0.331

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.

14 other PDB entries and 25 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name RPOB_THEAQ
Isoform
PDB entities 2
Chains and sequence ranges Author chain C; PDBConstruct 1–1119; UniProt 1–1119

;DNA-directed RNA polymerase beta' chain ;

OrganismNot specified

UniProt Q9KWU6

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 1–1524 Chain J; UniProt 1–1524 Not recorded DNA-directed RNA polymerase alpha chain × 2 (Q9KWU8) DNA-directed RNA polymerase beta chain × 1 (Q9KWU7) DNA-directed RNA polymerase omega chain × 1 (Q9EVV4) RFP RIFAMPICIN × 1 ZN ZINC ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 8;295 K;Tris, magnesium sulfate, ammonium sulfate, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 295K Resolution 3.30 Å R-free 0.331

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.

13 other PDB entries and 21 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name RPOC_THEAQ
Isoform
PDB entities 3
Chains and sequence ranges Author chain D; PDBConstruct 1–1524; UniProt 1–1524 Author chain J; PDBConstruct 1–1524; UniProt 1–1524

DNA-directed RNA polymerase omega chain

OrganismNot specified

UniProt Q9EVV4

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 K; UniProt 0–98 Not recorded DNA-directed RNA polymerase alpha chain × 2 (Q9KWU8) DNA-directed RNA polymerase beta chain × 1 (Q9KWU7) ;DNA-directed RNA polymerase beta' chain ; × 2 (Q9KWU6) RFP RIFAMPICIN × 1 ZN ZINC ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 8;295 K;Tris, magnesium sulfate, ammonium sulfate, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 295K Resolution 3.30 Å R-free 0.331

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.

11 other PDB entries and 19 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name RPOZ_THEAQ
Isoform
PDB entities 4
Chains and sequence ranges Author chain K; PDBConstruct 1–99; UniProt 0–98

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 1ynn

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id1ynn
Deposition date deposition_date2005-01-24
Structure title titleTaq RNA polymerase-rifampicin complex
Keywords keywordsTRANSFERASE, RNA polymerase, RIFAMPICIN; TRANSFERASE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier53.82
Radius of gyration Rg (electron density) rg_electron54.57
Forward intensity I(0) i01689560000.00
Molecular weight molecular_weight345740.0 kDa
Excluded volume excluded_volume434520 ų
Envelope volume envelope_volume651420 ų
Hydration-shell volume shell_volume103370 ų
Envelope diameter envelope_diameter230.5
Shell Rg shell_rg55.75
Envelope Rg envelope_rg55.81
Shape Rg shape_rg54.60
Total Rg total_rg54.50
Total atoms total_atoms24368
Residues n_residues3151
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 dmax215.8
Rg (real space) rg_real54.50
Rg uncertainty (real space) rg_real_error2.75
I(0) (real space) i0_real1.6890e+09
I(0) uncertainty (real space) i0_real_error3.7010e+07
Rg (reciprocal space) rg_reciprocal53.30
I(0) (reciprocal space) i0_reciprocal1687000000.0000
Solution quality estimate total_estimate0.7455
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary59.5
Skewness Skewness skewness0.980
Kurtosis Kurtosis kurtosis1.264
Angular range angular_range— – 0.1450 −1
Current regularization parameter α current_alpha0.0004
Highest regularization parameter α highest_alpha179400000.0000
Real-space data points n_real_points30
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.274; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.944; Smooth: 0.923

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (6)

7. Fold Classification (SCOP + CATH) 25 domains

SCOP 2.08 (7 domains)

Domain ID domain_idd1ynna1
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.74 — DCoH-like
Superfamily Superfamily superfamilyd.74.3 — RBP11-like subunits of RNA polymerase
Family Family familyd.74.3.1 — RNA polymerase alpha subunit dimerisation domain
Domain ID domain_idd1ynna2
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.181 — Insert subdomain of RNA polymerase alpha subunit
Superfamily Superfamily superfamilyd.181.1 — Insert subdomain of RNA polymerase alpha subunit
Family Family familyd.181.1.1 — Insert subdomain of RNA polymerase alpha subunit
Domain ID domain_idd1ynnb1
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.74 — DCoH-like
Superfamily Superfamily superfamilyd.74.3 — RBP11-like subunits of RNA polymerase
Family Family familyd.74.3.1 — RNA polymerase alpha subunit dimerisation domain
Domain ID domain_idd1ynnb2
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.181 — Insert subdomain of RNA polymerase alpha subunit
Superfamily Superfamily superfamilyd.181.1 — Insert subdomain of RNA polymerase alpha subunit
Family Family familyd.181.1.1 — Insert subdomain of RNA polymerase alpha subunit
Domain ID domain_idd1ynnc1
Class classe — Multi-domain proteins (alpha and beta)
Fold Fold folde.29 — beta and beta-prime subunits of DNA dependent RNA-polymerase
Superfamily Superfamily superfamilye.29.1 — beta and beta-prime subunits of DNA dependent RNA-polymerase
Family Family familye.29.1.1 — RNA-polymerase beta
Domain ID domain_idd1ynnd1
Class classe — Multi-domain proteins (alpha and beta)
Fold Fold folde.29 — beta and beta-prime subunits of DNA dependent RNA-polymerase
Superfamily Superfamily superfamilye.29.1 — beta and beta-prime subunits of DNA dependent RNA-polymerase
Family Family familye.29.1.2 — RNA-polymerase beta-prime
Domain ID domain_idd1ynnk1
Class classa — All alpha proteins
Fold Fold folda.143 — RPB6/omega subunit-like
Superfamily Superfamily superfamilya.143.1 — RPB6/omega subunit-like
Family Family familya.143.1.1 — RNA polymerase omega subunit

CATH v4.4 (18 domains)

Domain ID domain_id1ynnA01
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_id1ynnA02
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_id1ynnB01
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_id1ynnB02
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_id1ynnC01
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_id1ynnC02
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_id1ynnC03
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_id1ynnC04
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_id1ynnC05
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_id1ynnC06
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_id1ynnD03
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_id1ynnD04
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology40 — Barwin-like endoglucanases
Homologous superfamily homologous superfamily20
Domain ID domain_id1ynnD05
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology274 — Enzyme I; Chain A, domain 2
Homologous superfamily homologous superfamily100 — RNA polymerase Rpb1, domain 3
Domain ID domain_id1ynnD06
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology132 — Topoisomerase I; Chain A, domain 4
Homologous superfamily homologous superfamily30 — RNA polymerase Rpb1 funnel domain
Domain ID domain_id1ynnJ01
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology1790 — PTS-regulatory domain, PRD
Homologous superfamily homologous superfamily20
Domain ID domain_id1ynnJ02
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_id1ynnJ03
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology150 — DNA polymerase; domain 1
Homologous superfamily homologous superfamily390
Domain ID domain_id1ynnK00
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

8. Citations (2)

9. Files and Curves (10)