1q95

Aspartate Transcarbamylase (ATCase) of Escherichia coli: A New Crystalline R State Bound to PALA, or to Product Analogues Phosphate and Citrate

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

Aspartate carbamoyltransferase catalytic chain

Escherichia coli

UniProt P0A786

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein heterocomplex Heteromer Protein 12 Aspartate carbamoyltransferase regulatory chain × 6 (P0A7F3) N-(PHOSPHONACETYL)-L-ASPARTIC ACID × 6 ZINC ION × 6 water × 12 Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence
UniProt name PYRB_ECOLI
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–310; UniProt 1–310 Author chain B; PDBConstruct 1–310; UniProt 1–310 Author chain C; PDBConstruct 1–310; UniProt 1–310 Author chain D; PDBConstruct 1–310; UniProt 1–310 Author chain E; PDBConstruct 1–310; UniProt 1–310 Author chain F; PDBConstruct 1–310; UniProt 1–310

Aspartate carbamoyltransferase regulatory chain

Escherichia coli

UniProt P0A7F3

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein heterocomplex Heteromer Protein 12 Aspartate carbamoyltransferase catalytic chain × 6 (P0A786) N-(PHOSPHONACETYL)-L-ASPARTIC ACID × 6 ZINC ION × 6 water × 12 Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence
UniProt name PYRI_ECOLI
Isoform —
PDB entities 2
Chains and sequence ranges Author chain G; PDBConstruct 1–153; UniProt 1–152 Author chain H; PDBConstruct 1–153; UniProt 1–152 Author chain I; PDBConstruct 1–153; UniProt 1–152 Author chain J; PDBConstruct 1–153; UniProt 1–152 Author chain K; PDBConstruct 1–153; UniProt 1–152 Author chain L; PDBConstruct 1–153; UniProt 1–152

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_id1q95
Deposition date deposition_date2003-08-22
Structure title titleAspartate Transcarbamylase (ATCase) of Escherichia coli: A New Crystalline R State Bound to PALA, or to Product Analogues Phosphate and Citrate
Keywords keywordsAspartate Transcarbamylase, Aspartate Carbamoyltransferase, N-carbamyl-L-aspartate, PALA, ATCase-PALA Complex, R state, TRANSFERASE; TRANSFERASE
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.

1q95__assembly_1__model_1

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

Download this curve (.dat)

1q95__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.

1q95__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)46.33 Å
Rg (electron density)45.68 Å
Total Rg45.99 Å
Atom count21798
Residues2778
Excluded volume388220 ų
Maximum q0.500 Å⁻¹
Assembly Model Structure unit Oligomeric description Status CRYSOL Actions
1 1 1q95__assembly_1__model_1 dodecameric (12) 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 (5)

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6. Fold Classification (SCOP + CATH) 48 domains

SCOP 2.08 (24 domains)

Domain ID domain_idd1q95a1
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.78 — ATC-like
Superfamily Superfamily superfamilyc.78.1 — Aspartate/ornithine carbamoyltransferase
Family Family familyc.78.1.1 — Aspartate/ornithine carbamoyltransferase
Domain ID domain_idd1q95a2
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.78 — ATC-like
Superfamily Superfamily superfamilyc.78.1 — Aspartate/ornithine carbamoyltransferase
Family Family familyc.78.1.1 — Aspartate/ornithine carbamoyltransferase
Domain ID domain_idd1q95b1
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.78 — ATC-like
Superfamily Superfamily superfamilyc.78.1 — Aspartate/ornithine carbamoyltransferase
Family Family familyc.78.1.1 — Aspartate/ornithine carbamoyltransferase
Domain ID domain_idd1q95b2
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.78 — ATC-like
Superfamily Superfamily superfamilyc.78.1 — Aspartate/ornithine carbamoyltransferase
Family Family familyc.78.1.1 — Aspartate/ornithine carbamoyltransferase
Domain ID domain_idd1q95c1
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.78 — ATC-like
Superfamily Superfamily superfamilyc.78.1 — Aspartate/ornithine carbamoyltransferase
Family Family familyc.78.1.1 — Aspartate/ornithine carbamoyltransferase
Domain ID domain_idd1q95c2
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.78 — ATC-like
Superfamily Superfamily superfamilyc.78.1 — Aspartate/ornithine carbamoyltransferase
Family Family familyc.78.1.1 — Aspartate/ornithine carbamoyltransferase
Domain ID domain_idd1q95d1
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.78 — ATC-like
Superfamily Superfamily superfamilyc.78.1 — Aspartate/ornithine carbamoyltransferase
Family Family familyc.78.1.1 — Aspartate/ornithine carbamoyltransferase
Domain ID domain_idd1q95d2
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.78 — ATC-like
Superfamily Superfamily superfamilyc.78.1 — Aspartate/ornithine carbamoyltransferase
Family Family familyc.78.1.1 — Aspartate/ornithine carbamoyltransferase
Domain ID domain_idd1q95e1
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.78 — ATC-like
Superfamily Superfamily superfamilyc.78.1 — Aspartate/ornithine carbamoyltransferase
Family Family familyc.78.1.1 — Aspartate/ornithine carbamoyltransferase
Domain ID domain_idd1q95e2
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.78 — ATC-like
Superfamily Superfamily superfamilyc.78.1 — Aspartate/ornithine carbamoyltransferase
Family Family familyc.78.1.1 — Aspartate/ornithine carbamoyltransferase
Domain ID domain_idd1q95f1
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.78 — ATC-like
Superfamily Superfamily superfamilyc.78.1 — Aspartate/ornithine carbamoyltransferase
Family Family familyc.78.1.1 — Aspartate/ornithine carbamoyltransferase
Domain ID domain_idd1q95f2
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.78 — ATC-like
Superfamily Superfamily superfamilyc.78.1 — Aspartate/ornithine carbamoyltransferase
Family Family familyc.78.1.1 — Aspartate/ornithine carbamoyltransferase
Domain ID domain_idd1q95g1
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.58 — Ferredoxin-like
Superfamily Superfamily superfamilyd.58.2 — Aspartate carbamoyltransferase, Regulatory-chain, N-terminal domain
Family Family familyd.58.2.1 — Aspartate carbamoyltransferase, Regulatory-chain, N-terminal domain
Domain ID domain_idd1q95g2
Class classg — Small proteins
Fold Fold foldg.41 — Rubredoxin-like
Superfamily Superfamily superfamilyg.41.7 — Aspartate carbamoyltransferase, Regulatory-chain, C-terminal domain
Family Family familyg.41.7.1 — Aspartate carbamoyltransferase, Regulatory-chain, C-terminal domain
Domain ID domain_idd1q95h1
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.58 — Ferredoxin-like
Superfamily Superfamily superfamilyd.58.2 — Aspartate carbamoyltransferase, Regulatory-chain, N-terminal domain
Family Family familyd.58.2.1 — Aspartate carbamoyltransferase, Regulatory-chain, N-terminal domain
Domain ID domain_idd1q95h2
Class classg — Small proteins
Fold Fold foldg.41 — Rubredoxin-like
Superfamily Superfamily superfamilyg.41.7 — Aspartate carbamoyltransferase, Regulatory-chain, C-terminal domain
Family Family familyg.41.7.1 — Aspartate carbamoyltransferase, Regulatory-chain, C-terminal domain
Domain ID domain_idd1q95i1
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.58 — Ferredoxin-like
Superfamily Superfamily superfamilyd.58.2 — Aspartate carbamoyltransferase, Regulatory-chain, N-terminal domain
Family Family familyd.58.2.1 — Aspartate carbamoyltransferase, Regulatory-chain, N-terminal domain
Domain ID domain_idd1q95i2
Class classg — Small proteins
Fold Fold foldg.41 — Rubredoxin-like
Superfamily Superfamily superfamilyg.41.7 — Aspartate carbamoyltransferase, Regulatory-chain, C-terminal domain
Family Family familyg.41.7.1 — Aspartate carbamoyltransferase, Regulatory-chain, C-terminal domain
Domain ID domain_idd1q95j1
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.58 — Ferredoxin-like
Superfamily Superfamily superfamilyd.58.2 — Aspartate carbamoyltransferase, Regulatory-chain, N-terminal domain
Family Family familyd.58.2.1 — Aspartate carbamoyltransferase, Regulatory-chain, N-terminal domain
Domain ID domain_idd1q95j2
Class classg — Small proteins
Fold Fold foldg.41 — Rubredoxin-like
Superfamily Superfamily superfamilyg.41.7 — Aspartate carbamoyltransferase, Regulatory-chain, C-terminal domain
Family Family familyg.41.7.1 — Aspartate carbamoyltransferase, Regulatory-chain, C-terminal domain
Domain ID domain_idd1q95k1
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.58 — Ferredoxin-like
Superfamily Superfamily superfamilyd.58.2 — Aspartate carbamoyltransferase, Regulatory-chain, N-terminal domain
Family Family familyd.58.2.1 — Aspartate carbamoyltransferase, Regulatory-chain, N-terminal domain
Domain ID domain_idd1q95k2
Class classg — Small proteins
Fold Fold foldg.41 — Rubredoxin-like
Superfamily Superfamily superfamilyg.41.7 — Aspartate carbamoyltransferase, Regulatory-chain, C-terminal domain
Family Family familyg.41.7.1 — Aspartate carbamoyltransferase, Regulatory-chain, C-terminal domain
Domain ID domain_idd1q95l1
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.58 — Ferredoxin-like
Superfamily Superfamily superfamilyd.58.2 — Aspartate carbamoyltransferase, Regulatory-chain, N-terminal domain
Family Family familyd.58.2.1 — Aspartate carbamoyltransferase, Regulatory-chain, N-terminal domain
Domain ID domain_idd1q95l2
Class classg — Small proteins
Fold Fold foldg.41 — Rubredoxin-like
Superfamily Superfamily superfamilyg.41.7 — Aspartate carbamoyltransferase, Regulatory-chain, C-terminal domain
Family Family familyg.41.7.1 — Aspartate carbamoyltransferase, Regulatory-chain, C-terminal domain

CATH v4.4 (24 domains)

Domain ID domain_id1q95A01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily1370 — Aspartate/ornithine carbamoyltransferase
Domain ID domain_id1q95A02
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily1370 — Aspartate/ornithine carbamoyltransferase
Domain ID domain_id1q95B01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily1370 — Aspartate/ornithine carbamoyltransferase
Domain ID domain_id1q95B02
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily1370 — Aspartate/ornithine carbamoyltransferase
Domain ID domain_id1q95C01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily1370 — Aspartate/ornithine carbamoyltransferase
Domain ID domain_id1q95C02
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily1370 — Aspartate/ornithine carbamoyltransferase
Domain ID domain_id1q95D01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily1370 — Aspartate/ornithine carbamoyltransferase
Domain ID domain_id1q95D02
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily1370 — Aspartate/ornithine carbamoyltransferase
Domain ID domain_id1q95E01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily1370 — Aspartate/ornithine carbamoyltransferase
Domain ID domain_id1q95E02
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily1370 — Aspartate/ornithine carbamoyltransferase
Domain ID domain_id1q95F01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily1370 — Aspartate/ornithine carbamoyltransferase
Domain ID domain_id1q95F02
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily1370 — Aspartate/ornithine carbamoyltransferase
Domain ID domain_id1q95G01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily140 — Aspartate carbamoyltransferase regulatory subunit, N-terminal domain
Domain ID domain_id1q95G02
Class class2 — Mainly Beta
Architecture architecture30 — Roll
Topology topology30 — SH3 type barrels.
Homologous superfamily homologous superfamily20 — Aspartate carbamoyltransferase regulatory subunit, C-terminal domain
Domain ID domain_id1q95H01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily140 — Aspartate carbamoyltransferase regulatory subunit, N-terminal domain
Domain ID domain_id1q95H02
Class class2 — Mainly Beta
Architecture architecture30 — Roll
Topology topology30 — SH3 type barrels.
Homologous superfamily homologous superfamily20 — Aspartate carbamoyltransferase regulatory subunit, C-terminal domain
Domain ID domain_id1q95I01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily140 — Aspartate carbamoyltransferase regulatory subunit, N-terminal domain
Domain ID domain_id1q95I02
Class class2 — Mainly Beta
Architecture architecture30 — Roll
Topology topology30 — SH3 type barrels.
Homologous superfamily homologous superfamily20 — Aspartate carbamoyltransferase regulatory subunit, C-terminal domain
Domain ID domain_id1q95J01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily140 — Aspartate carbamoyltransferase regulatory subunit, N-terminal domain
Domain ID domain_id1q95J02
Class class2 — Mainly Beta
Architecture architecture30 — Roll
Topology topology30 — SH3 type barrels.
Homologous superfamily homologous superfamily20 — Aspartate carbamoyltransferase regulatory subunit, C-terminal domain
Domain ID domain_id1q95K01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily140 — Aspartate carbamoyltransferase regulatory subunit, N-terminal domain
Domain ID domain_id1q95K02
Class class2 — Mainly Beta
Architecture architecture30 — Roll
Topology topology30 — SH3 type barrels.
Homologous superfamily homologous superfamily20 — Aspartate carbamoyltransferase regulatory subunit, C-terminal domain
Domain ID domain_id1q95L01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily140 — Aspartate carbamoyltransferase regulatory subunit, N-terminal domain
Domain ID domain_id1q95L02
Class class2 — Mainly Beta
Architecture architecture30 — Roll
Topology topology30 — SH3 type barrels.
Homologous superfamily homologous superfamily20 — Aspartate carbamoyltransferase regulatory subunit, C-terminal domain
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7. Citations (2)