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1nvf

Crystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+, ADP and carbaphosphonate

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

3-DEHYDROQUINATE SYNTHASE

Emericella nidulans

UniProt P07547

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein homooligomer Homooligomer Protein 2 ZINC ION × 2 CHLORIDE ION × 1 ADENOSINE-5'-DIPHOSPHATE × 2 [1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-1-CARBOXYLIC ACID × 2 water × 2 Consistent with protein count
2 Protein homooligomer Homooligomer Protein 2 ZINC ION × 2 CHLORIDE ION × 6 ADENOSINE-5'-DIPHOSPHATE × 2 [1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-1-CARBOXYLIC ACID × 2 water × 2 Consistent with protein count

Other States of the Same Protein in the Database

Monomer
1nr5 1sg6 1sg6

3 assemblies

Homodimer
1dqs 1nr5 1nr5 1nrx 1nua 1nva 1nvb 1nvb 1nvd 1nve 1nve 1nvf

13 assemblies; showing the first 12

Homotetramer

None

Other homooligomers

None

Heteromeric or nucleic-acid complex

None

View Construct and Data Evidence
UniProt name ARO1_EMENI
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–393； UniProt 1–393 Author chain B； PDBConstruct 1–393； UniProt 1–393 Author chain C； PDBConstruct 1–393； UniProt 1–393

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_id1nvf
Deposition date deposition_date2003-02-03
Structure title titleCrystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+, ADP and carbaphosphonate
Keywords keywordsSHIKIMATE PATHWAY, AROMATIC AMINO ACID BIOSYNTHESIS, DHQS, CLOSED FORM, FORM H, DOMAIN MOVEMENT, CYCLASE, LYASE; LYASE
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.

1nvf__assembly_1__model_1

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

Download this curve (.dat)

1nvf__assembly_1__model_1 | I(q)

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

1nvf__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）28.92 Å
Rg (electron density)28.36 Å
Total Rg29.07 Å
Atom count6037
Residues776
Excluded volume108300 ų
Maximum q0.500 Å⁻¹
Assembly Model Structure unit Oligomeric description Status CRYSOL Actions
1 1 1nvf__assembly_1__model_1 dimeric （2） Success 4.1.3-1-20251215 (887e7ef) View Download
2 1 1nvf__assembly_2__model_1 dimeric （2） 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) 9 domains

SCOP 2.08 (3 domains)

Domain ID domain_idd1nvfa_
Class classe — Multi-domain proteins (alpha and beta)
Fold Fold folde.22 — Dehydroquinate synthase-like
Superfamily Superfamily superfamilye.22.1 — Dehydroquinate synthase-like
Family Family familye.22.1.1 — Dehydroquinate synthase, DHQS
Domain ID domain_idd1nvfb_
Class classe — Multi-domain proteins (alpha and beta)
Fold Fold folde.22 — Dehydroquinate synthase-like
Superfamily Superfamily superfamilye.22.1 — Dehydroquinate synthase-like
Family Family familye.22.1.1 — Dehydroquinate synthase, DHQS
Domain ID domain_idd1nvfc_
Class classe — Multi-domain proteins (alpha and beta)
Fold Fold folde.22 — Dehydroquinate synthase-like
Superfamily Superfamily superfamilye.22.1 — Dehydroquinate synthase-like
Family Family familye.22.1.1 — Dehydroquinate synthase, DHQS

CATH v4.4 (6 domains)

Domain ID domain_id1nvfA01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily1970 —
Domain ID domain_id1nvfA02
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology1090 — Dehydroquinate synthase-like, alpha domain
Homologous superfamily homologous superfamily10 — Dehydroquinate synthase-like - alpha domain
Domain ID domain_id1nvfB01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily1970 —
Domain ID domain_id1nvfB02
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology1090 — Dehydroquinate synthase-like, alpha domain
Homologous superfamily homologous superfamily10 — Dehydroquinate synthase-like - alpha domain
Domain ID domain_id1nvfC01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily1970 —
Domain ID domain_id1nvfC02
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology1090 — Dehydroquinate synthase-like, alpha domain
Homologous superfamily homologous superfamily10 — Dehydroquinate synthase-like - alpha domain
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7. Citations (2)