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1q48

Solution NMR Structure of The Haemophilus Influenzae Iron-Sulfur Cluster Assembly Protein U (IscU) with Zinc Bound at the Active Site. Northeast Structural Genomics Consortium Target IR24. This protein is not apo, it is a model without zinc binding constraints.

Method: SOLUTION NMR Dmax: 51.7 Å Quality: REASONABLE
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1. Protein Identity and Related Structures Protein Identity & Related Structures

NifU-like protein

Haemophilus influenzae

UniProt Q57074

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 monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count Chain A； UniProt 1–126 Not recorded No other associated polymer SOLUTION NMR NMR measurement conditions：pH 6.5；293 K；Ionic strength (raw mmCIF value) 20 mM MES, 100 mM NaCl, 5 mM CaCl2；Pressure ambient NMR sample composition：1 mM U-15N, U-13C IscU in 20 mM MES, 100 mM NaCl, 5 mM CaCl2, 10 mM DTT, 0.02% NaN3 | 95% H2O/5% D2O NMR sample composition：1 mM U-15N, U-13C IscU in 20 mM MES, 100 mM NaCl, 5 mM CaCl2, 10 mM DTT, 0.02% NaN3 | 100% D2O NMR sample composition：1 mM U-15N, U-5%-13C IscU in 20 mM MES, 100 mM NaCl, 5 mM CaCl2, 10 mM DTT, 0.02% NaN3 | 95% H2O/5% D2O Resolution not provided

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.

Other PDB Difference from Current Entry 1Q48 Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1R9P Solution NMR Structure Of The Haemophilus Influenzae Iron-Sulfur Cluster Assembly Protein U (IscU) with Zinc Bound at the Active Site. Northeast Structural Genomics Consortium Target IR24. Deposited 2003-10-30 Different ligand/ion Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–126（126 aa）
Not recorded ZN ZINC ION × 1 SOLUTION NMR
NMR measurement conditions pH 6.5；293 K；Ionic strength (raw mmCIF value) 20 mM MES, 100 mM NaCl, 5 mM CaCl2；Pressure ambient
NMR sample composition 1 mM U-15N, U-13C IscU in 20 mM MES, 100mM NaCl, 5 mM CaCl2, 10 mM DTT, 0.02% NaN3 | 95% H2O/5% D2O
NMR sample composition 1 mM U-15N, U-13C IscU in 20 mM MES, 100mM NaCl, 5 mM CaCl2, 10 mM DTT, 0.02% NaN3 | 100% D2O
NMR sample composition 1 mM U-15N, U-5%-13C IscU in 20 mM MES, 100mM NaCl, 5 mM CaCl2, 10 mM DTT, 0.02% NaN3 | 95% H2O/5% D2O
Resolution not provided

1 other PDB entries and 1 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name NIFU_HAEIN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–126； UniProt 1–126

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 1q48

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 1q48
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2. Structure Basics 2. Structure Basics

Entry ID entry_id1q48
Deposition date deposition_date2003-08-01
Structure title titleSolution NMR Structure of The Haemophilus Influenzae Iron-Sulfur Cluster Assembly Protein U (IscU) with Zinc Bound at the Active Site. Northeast Structural Genomics Consortium Target IR24. This protein is not apo, it is a model without zinc binding constraints.
Keywords keywords;Iron-Sulfur cluster binding, Three conserved Cys, 3 beta strands, 4 alpha helixes, NESG, STRUCTURAL GENOMICS, PSI, Protein Structure Initiative, Northeast Structural Genomics Consortium, UNKNOWN FUNCTION ;; STRUCTURAL GENOMICS, UNKNOWN FUNCTION
Experimental Method methodSOLUTION NMR
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier19.16 Å
Radius of gyration Rg (electron density) rg_electron18.88 Å
Forward intensity I(0) i01256450000.00
Molecular weight molecular_weight289170.0 kDa
Excluded volume excluded_volume358320 ų
Envelope volume envelope_volume102890 ų
Hydration-shell volume shell_volume31539 ų
Envelope diameter envelope_diameter92.9 Å
Shell Rg shell_rg34.39 Å
Envelope Rg envelope_rg28.44 Å
Shape Rg shape_rg18.90 Å
Total Rg total_rg19.25 Å
Total atoms total_atoms40240
Residues n_residues2680
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−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
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax51.7 Å
Rg (real space) rg_real17.96 Å
Rg uncertainty (real space) rg_real_error0.09 Å
I(0) (real space) i0_real1.1980e+09
I(0) uncertainty (real space) i0_real_error1.0830e+07
Rg (reciprocal space) rg_reciprocal19.38 Å
I(0) (reciprocal space) i0_reciprocal1256000000.0000
Solution quality estimate total_estimate0.6823
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary17.9 Å
Skewness Skewness skewness0.367
Kurtosis Kurtosis kurtosis-0.477
Angular range angular_range— – 0.4150 Å−1
Current regularization parameter α current_alpha3.0800
Highest regularization parameter α highest_alpha1009000.0000
Real-space data points n_real_points73
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.001; Oscil: 0.971; Stabil: 0.990; Sysdev: 0.000; Positv: 1.000; Valcen: 0.987; Smooth: 0.000
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (1)

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7. Fold Classification (SCOP + CATH) 3 domains

SCOP 2.08 (2 domains)

Domain ID domain_idd1q48a1
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.224 — SufE/NifU
Superfamily Superfamily superfamilyd.224.1 — SufE/NifU
Family Family familyd.224.1.2 — NifU/IscU domain
Domain ID domain_idd1q48a2
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags

CATH v4.4 (1 domains)

Domain ID domain_id1q48A00
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology1010 — Sufe protein. Chain: A
Homologous superfamily homologous superfamily10 —
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8. Citations (1)

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9. Files and Curves (10)