4xsz

Crystal structure of CBR 9393 bound to Escherichia coli RNA polymerase holoenzyme

Method: X-RAY DIFFRACTION
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1. Protein Identity and Related Structures Protein Identity & Related Structures

DNA-directed RNA polymerase subunit alpha

OrganismNot specified

UniProt A7ZSI4

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein heterocomplex Heteromer Protein 6 DNA-directed RNA polymerase subunit beta × 1 (A7ZUK1) ;DNA-directed RNA polymerase subunit beta' ; × 1 (A7ZUK2) DNA-directed RNA polymerase subunit omega × 1 (B1IYV1) RNA polymerase sigma factor RpoD × 1 (P00579) 4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[2-(piperazin-1-yl)ethyl]-2-(trifluoromethyl)aniline × 1 MAGNESIUM ION × 1 ZINC ION × 2 Consistent with protein count
2 Protein heterocomplex Heteromer Protein 6 DNA-directed RNA polymerase subunit beta × 1 (A7ZUK1) ;DNA-directed RNA polymerase subunit beta' ; × 1 (A7ZUK2) DNA-directed RNA polymerase subunit omega × 1 (B1IYV1) RNA polymerase sigma factor RpoD × 1 (P00579) 4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[2-(piperazin-1-yl)ethyl]-2-(trifluoromethyl)aniline × 1 MAGNESIUM ION × 1 ZINC ION × 2 Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence
UniProt name RPOA_ECO24
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

OrganismNot specified

UniProt A7ZUK1

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein heterocomplex Heteromer Protein 6 DNA-directed RNA polymerase subunit alpha × 2 (A7ZSI4) ;DNA-directed RNA polymerase subunit beta' ; × 1 (A7ZUK2) DNA-directed RNA polymerase subunit omega × 1 (B1IYV1) RNA polymerase sigma factor RpoD × 1 (P00579) 4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[2-(piperazin-1-yl)ethyl]-2-(trifluoromethyl)aniline × 1 MAGNESIUM ION × 1 ZINC ION × 2 Consistent with protein count
2 Protein heterocomplex Heteromer Protein 6 DNA-directed RNA polymerase subunit alpha × 2 (A7ZSI4) ;DNA-directed RNA polymerase subunit beta' ; × 1 (A7ZUK2) DNA-directed RNA polymerase subunit omega × 1 (B1IYV1) RNA polymerase sigma factor RpoD × 1 (P00579) 4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[2-(piperazin-1-yl)ethyl]-2-(trifluoromethyl)aniline × 1 MAGNESIUM ION × 1 ZINC ION × 2 Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence
UniProt name RPOB_ECO24
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' ;

OrganismNot specified

UniProt A7ZUK2

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein heterocomplex Heteromer Protein 6 DNA-directed RNA polymerase subunit alpha × 2 (A7ZSI4) DNA-directed RNA polymerase subunit beta × 1 (A7ZUK1) DNA-directed RNA polymerase subunit omega × 1 (B1IYV1) RNA polymerase sigma factor RpoD × 1 (P00579) 4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[2-(piperazin-1-yl)ethyl]-2-(trifluoromethyl)aniline × 1 MAGNESIUM ION × 1 ZINC ION × 2 Consistent with protein count
2 Protein heterocomplex Heteromer Protein 6 DNA-directed RNA polymerase subunit alpha × 2 (A7ZSI4) DNA-directed RNA polymerase subunit beta × 1 (A7ZUK1) DNA-directed RNA polymerase subunit omega × 1 (B1IYV1) RNA polymerase sigma factor RpoD × 1 (P00579) 4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[2-(piperazin-1-yl)ethyl]-2-(trifluoromethyl)aniline × 1 MAGNESIUM ION × 1 ZINC ION × 2 Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence
UniProt name RPOC_ECO24
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

OrganismNot specified

UniProt B1IYV1

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein heterocomplex Heteromer Protein 6 DNA-directed RNA polymerase subunit alpha × 2 (A7ZSI4) DNA-directed RNA polymerase subunit beta × 1 (A7ZUK1) ;DNA-directed RNA polymerase subunit beta' ; × 1 (A7ZUK2) RNA polymerase sigma factor RpoD × 1 (P00579) 4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[2-(piperazin-1-yl)ethyl]-2-(trifluoromethyl)aniline × 1 MAGNESIUM ION × 1 ZINC ION × 2 Consistent with protein count
2 Protein heterocomplex Heteromer Protein 6 DNA-directed RNA polymerase subunit alpha × 2 (A7ZSI4) DNA-directed RNA polymerase subunit beta × 1 (A7ZUK1) ;DNA-directed RNA polymerase subunit beta' ; × 1 (A7ZUK2) RNA polymerase sigma factor RpoD × 1 (P00579) 4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[2-(piperazin-1-yl)ethyl]-2-(trifluoromethyl)aniline × 1 MAGNESIUM ION × 1 ZINC ION × 2 Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence
UniProt name RPOZ_ECOLC
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 (strain K12)

UniProt P00579

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein heterocomplex Heteromer Protein 6 DNA-directed RNA polymerase subunit alpha × 2 (A7ZSI4) DNA-directed RNA polymerase subunit beta × 1 (A7ZUK1) ;DNA-directed RNA polymerase subunit beta' ; × 1 (A7ZUK2) DNA-directed RNA polymerase subunit omega × 1 (B1IYV1) 4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[2-(piperazin-1-yl)ethyl]-2-(trifluoromethyl)aniline × 1 MAGNESIUM ION × 1 ZINC ION × 2 Consistent with protein count
2 Protein heterocomplex Heteromer Protein 6 DNA-directed RNA polymerase subunit alpha × 2 (A7ZSI4) DNA-directed RNA polymerase subunit beta × 1 (A7ZUK1) ;DNA-directed RNA polymerase subunit beta' ; × 1 (A7ZUK2) DNA-directed RNA polymerase subunit omega × 1 (B1IYV1) 4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[2-(piperazin-1-yl)ethyl]-2-(trifluoromethyl)aniline × 1 MAGNESIUM ION × 1 ZINC ION × 2 Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence
UniProt name RPOD_ECOLI
Isoform —
PDB entities 5
Chains and sequence ranges Author chain F; PDBConstruct 1–522; UniProt 92–613 Author chain L; PDBConstruct 1–522; UniProt 92–613

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.

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2. Structure Basics 2. Structure Basics

Entry ID entry_id4xsz
Deposition date deposition_date2015-01-22
Structure title titleCrystal structure of CBR 9393 bound to Escherichia coli RNA polymerase holoenzyme
Keywords keywordsbacterial RNA polymerase antibiotic complex, transcription-antibiotic complex; transcription/antibiotic
Experimental Method methodX-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.

4xsz__assembly_1__model_1

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

Download this curve (.dat)

4xsz__assembly_1__model_1 | I(q)

10-2 10-1 106 107 108 109 q (1/Angstrom) I(q)
100 plotted points; both axes use logarithmic scales.

4xsz__assembly_1__model_1 | P(r) · Pending

The new assembly/model P(r) has not been calculated yet This placeholder does not display legacy data r (Angstrom) P(r)
P(r) will be calculated and displayed separately for the same assembly/model.
Rg(Guinier)51.39 Å
Rg (electron density)51.03 Å
Total Rg51.23 Å
Atom count27641
Residues3509
Excluded volume492340 ų
Maximum q0.500 Å⁻¹
Assembly Model Structure unit Oligomeric description Status CRYSOL Actions
1 1 4xsz__assembly_1__model_1 hexameric (6) Success 4.1.3-1-20251215 (887e7ef) View Download
2 1 4xsz__assembly_2__model_1 hexameric (6) 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)

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6. Fold Classification (SCOP + CATH) 28 domains

CATH v4.4 (28 domains)

Domain ID domain_id4xszA01
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_id4xszA02
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_id4xszB01
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_id4xszB02
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_id4xszC02
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_id4xszC04
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_id4xszC05
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_id4xszC06
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_id4xszC07
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_id4xszC08
Class class6 — Special
Architecture architecture10 — Helix non-globular
Topology topology140 — Helix Hairpins
Homologous superfamily homologous superfamily1670 —
Domain ID domain_id4xszE00
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_id4xszF01
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_id4xszF02
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_id4xszF03
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_id4xszG01
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_id4xszG02
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_id4xszH01
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_id4xszH02
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_id4xszI01
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_id4xszI04
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_id4xszI05
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_id4xszI06
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_id4xszI07
Class class6 — Special
Architecture architecture10 — Helix non-globular
Topology topology140 — Helix Hairpins
Homologous superfamily homologous superfamily1670 —
Domain ID domain_id4xszJ01
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_id4xszK00
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_id4xszL01
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_id4xszL02
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_id4xszL03
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
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7. Citations (1)