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2ofp

Crystal structure of Escherichia coli ketopantoate reductase in a ternary complex with NADP+ and pantoate

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

Ketopantoate reductase

Escherichia coli K12

UniProt P0A9J4

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein monomer Monomer Protein 1 NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 PANTOATE × 1 1,4-DIETHYLENE DIOXIDE × 2 water × 1 Consistent with protein count
2 Protein monomer Monomer Protein 1 NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 PANTOATE × 1 1,4-DIETHYLENE DIOXIDE × 2 ACETATE ION × 1 water × 1 Consistent with protein count

Other States of the Same Protein in the Database

Monomer
1ks9 1yjq 1yon 2ofp 2ofp

5 assemblies

Homodimer

None

Homotetramer

None

Other homooligomers

None

Heteromeric or nucleic-acid complex

None

View Construct and Data Evidence
UniProt name PANE_ECOLI
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 18–320； UniProt 1–303 Author chain B； PDBConstruct 18–320； UniProt 1–303

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_id2ofp
Deposition date deposition_date2007-01-04
Structure title titleCrystal structure of Escherichia coli ketopantoate reductase in a ternary complex with NADP+ and pantoate
Keywords keywordspanE, APBA, ketopantoate reductase, ternary complex, OXIDOREDUCTASE; OXIDOREDUCTASE
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.

2ofp__assembly_2__model_1

Assembly 2 · Model 1 · CRYSOL 4.1.3-1-20251215 (887e7ef)

Download this curve (.dat)

2ofp__assembly_2__model_1 | I(q)

10-2 10-1 105 106 107 q (1/Angstrom) I(q)
100 plotted points; both axes use logarithmic scales.

2ofp__assembly_2__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）19.55 Å
Rg (electron density)18.46 Å
Total Rg19.28 Å
Atom count2378
Residues294
Excluded volume42070 ų
Maximum q0.500 Å⁻¹
Assembly Model Structure unit Oligomeric description Status CRYSOL Actions
1 1 2ofp__assembly_1__model_1 monomeric （1） Success 4.1.3-1-20251215 (887e7ef) View Download
2 1 2ofp__assembly_2__model_1 monomeric （1） 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 (6)

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6. Fold Classification (SCOP + CATH) 10 domains

SCOP 2.08 (6 domains)

Domain ID domain_idd2ofpa1
Class classa — All alpha proteins
Fold Fold folda.100 — 6-phosphogluconate dehydrogenase C-terminal domain-like
Superfamily Superfamily superfamilya.100.1 — 6-phosphogluconate dehydrogenase C-terminal domain-like
Family Family familya.100.1.7 — Ketopantoate reductase PanE
Domain ID domain_idd2ofpa2
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.2 — NAD(P)-binding Rossmann-fold domains
Superfamily Superfamily superfamilyc.2.1 — NAD(P)-binding Rossmann-fold domains
Family Family familyc.2.1.6 — 6-phosphogluconate dehydrogenase-like, N-terminal domain
Domain ID domain_idd2ofpa3
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags
Domain ID domain_idd2ofpb1
Class classa — All alpha proteins
Fold Fold folda.100 — 6-phosphogluconate dehydrogenase C-terminal domain-like
Superfamily Superfamily superfamilya.100.1 — 6-phosphogluconate dehydrogenase C-terminal domain-like
Family Family familya.100.1.7 — Ketopantoate reductase PanE
Domain ID domain_idd2ofpb2
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.2 — NAD(P)-binding Rossmann-fold domains
Superfamily Superfamily superfamilyc.2.1 — NAD(P)-binding Rossmann-fold domains
Family Family familyc.2.1.6 — 6-phosphogluconate dehydrogenase-like, N-terminal domain
Domain ID domain_idd2ofpb3
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags

CATH v4.4 (4 domains)

Domain ID domain_id2ofpA01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily720 — NAD(P)-binding Rossmann-like Domain
Domain ID domain_id2ofpA02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology1040 — N-(1-d-carboxylethyl)-l-norvaline Dehydrogenase; domain 2
Homologous superfamily homologous superfamily10 — N-(1-d-carboxylethyl)-l-norvaline Dehydrogenase; domain 2
Domain ID domain_id2ofpB01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily720 — NAD(P)-binding Rossmann-like Domain
Domain ID domain_id2ofpB02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology1040 — N-(1-d-carboxylethyl)-l-norvaline Dehydrogenase; domain 2
Homologous superfamily homologous superfamily10 — N-(1-d-carboxylethyl)-l-norvaline Dehydrogenase; domain 2
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7. Citations (1)