SAXSdb — 1noe

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1. Protein Identity and Related Structures Protein Identity & Related Structures

HIGH POTENTIAL IRON SULFUR PROTEIN

Allochromatium vinosum

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 37–122	Mutation：C77S	SF4 IRON/SULFUR CLUSTER × 1	SOLUTION NMR mmCIF provides none of the parsed experimental conditions	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 1NOE	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1B0Y MUTANT H42Q OF HIPIP FROM CHROMATIUM VINOSUM AT 0.93A Deposited 1998-11-15	Different construct Different mutation/modification Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 38–122（85 aa）	Mutation：H42Q	SF4 IRON/SULFUR CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.3；2M AMMONIUM SULPHATE, 40 MM TRI 180 MM KCL, pH 5.3	Resolution 0.93 Å R-free 0.205
1CKU AB INITIO SOLUTION AND REFINEMENT OF TWO HIGH POTENTIAL IRON PROTEIN STRUCTURES AT ATOMIC RESOLUTION Deposited 1999-04-24	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 38–122（85 aa） Chain B 38–122（85 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.3；1.3 M AMMONIUM SULPHATE, 40 MM TRIS 180 MM KCL, pH 5.3	Resolution 1.20 Å R-free 0.178
1HIP TWO-ANGSTROM CRYSTAL STRUCTURE OF OXIDIZED CHROMATIUM HIGH POTENTIAL IRON PROTEIN Deposited 1975-04-01	Different construct Different mutation/modification Different experimental method Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 2–86（85 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.00 Å
1HRQ THE THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE REDUCED HIGH-POTENTIAL IRON-SULFUR PROTEIN FROM CHROMATIUM VINOSUM THROUGH NMR Deposited 1995-01-17	Different construct Different mutation/modification	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 38–122（85 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 1	SOLUTION NMR mmCIF provides none of the parsed conditions	Resolution not provided
1HRR THE THREE DIMENSIONAL STRUCTURE OF THE REDUCED HIGH POTENTIAL IRON-SULFUR PROTEIN FROM CHROMATIUM VINOSUM THROUGH NMR Deposited 1995-01-17	Different construct Different mutation/modification	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 38–122（85 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 1	SOLUTION NMR mmCIF provides none of the parsed conditions	Resolution not provided
1JS2 Crystal structure of C77S HiPIP: a serine ligated [4Fe-4S] cluster Deposited 2001-08-16	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 38–122（85 aa） Fragment：residues 38-122 of P00260 Chain B 38–122（85 aa） Fragment：residues 38-122 of P00260 Chain C 38–122（85 aa） Fragment：residues 38-122 of P00260 Chain D 38–122（85 aa） Fragment：residues 38-122 of P00260	Mutation：C77S Mutation：C77S Mutation：C77S Mutation：C77S	SF4 IRON/SULFUR CLUSTER × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；VAPOR DIFFUSION, HANGING DROP at pH 8.0, 293K	Resolution 1.90 Å R-free 0.234
1NEH HIGH POTENTIAL IRON-SULFUR PROTEIN Deposited 1995-12-14	Different construct Different mutation/modification	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 38–122（85 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 1	SOLUTION NMR mmCIF provides none of the parsed conditions	Resolution not provided

7 other PDB entries and 7 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	HIP_CHRVI
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–86； UniProt 37–122

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_id	1noe
Deposition date deposition_date	1996-01-07
Structure title title	NMR STUDY OF REDUCED HIGH POTENTIAL IRON SULFUR PROTEIN
Keywords keywords	ELECTRON TRANSPORT, IRON-SULFUR, 4FE-4S; ELECTRON TRANSPORT
Experimental Method method	SOLUTION NMR

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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier	11.05 Å
Radius of gyration Rg (electron density) rg_electron	11.48 Å
Forward intensity I(0) i0	333973000.00
Molecular weight molecular_weight	139640.0 kDa
Excluded volume excluded_volume	168100 Å³
Envelope volume envelope_volume	15430 Å³
Hydration-shell volume shell_volume	10563 Å³
Envelope diameter envelope_diameter	40.1 Å
Shell Rg shell_rg	18.21 Å
Envelope Rg envelope_rg	12.71 Å
Shape Rg shape_rg	11.57 Å
Total Rg total_rg	11.32 Å
Total atoms total_atoms	18495
Residues n_residues	1290
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax	35.8 Å
Rg (real space) rg_real	10.99 Å
Rg uncertainty (real space) rg_real_error	0.12 Å
I(0) (real space) i0_real	3.3400e+08
I(0) uncertainty (real space) i0_real_error	3.0100e+06
Rg (reciprocal space) rg_reciprocal	10.99 Å
I(0) (reciprocal space) i0_reciprocal	334000000.0000
Solution quality estimate total_estimate	0.6530
Solution quality rating solution_quality	REASONABLE a REASONABLE solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	13.6 Å
Skewness Skewness skewness	0.156
Kurtosis Kurtosis kurtosis	-0.413
Angular range angular_range	— – 0.5000 Å⁻¹
Current regularization parameter α current_alpha	0.0095
Highest regularization parameter α highest_alpha	209600.0000
Real-space data points n_real_points	80
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.830; Stabil: 0.999; Sysdev: 0.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.999

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (2)

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7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

Domain ID domain_id	d1noea_
Class class	g — Small proteins
Fold Fold fold	g.35 — HIPIP (high potential iron protein)
Superfamily Superfamily superfamily	g.35.1 — HIPIP (high potential iron protein)
Family Family family	g.35.1.1 — HIPIP (high potential iron protein)

CATH v4.4 (1 domains)

Domain ID domain_id	1noeA00
Class class	4 — Few Secondary Structures
Architecture architecture	10 — Irregular
Topology topology	490 — High-Potential Iron-Sulfur Protein; Chain A
Homologous superfamily homologous superfamily	10 — High potential iron-sulphur protein

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8. Citations (3)

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Unit-cell length a length_a	1.000 Å
Unit-cell length b length_b	1.000 Å
Unit-cell length c length_c	1.000 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	1

Space group space_group	P 1
Space-group number int_tables_number	1
Crystal system crystal_system	—

Description description	HIGH POTENTIAL IRON SULFUR PROTEIN
Molecular weight formula_weight	8967.9 kDa
Mutation mutation	C77S
Source method src_method	man
Copy count entity_count	1

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	18495

来源生物 organism	Allochromatium vinosum
NCBI Class编号 ncbi_taxonomy_id	1049

NMR STUDY OF REDUCED HIGH POTENTIAL IRON SULFUR PROTEIN

1. Protein Identity and Related Structures Protein Identity & Related Structures

HIGH POTENTIAL IRON SULFUR PROTEIN

State in the Current Structure

Other States of the Same Protein in the Database

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

2. Structure Basics 2. Structure Basics

3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

5. Crystallography and Experiment 5. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

6. Entities and Polymers Entities & Polymers (2)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 non-polymer

7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

CATH v4.4 (1 domains)

8. Citations (3)

9. Files and Curves (10)

Files (7)

Curves (3)

Description description	IRON/SULFUR CLUSTER
Molecular weight formula_weight	351.6 kDa
Source method src_method	syn
Copy count entity_count	1

fit	/app/data/saxs_computation/no/1noe/1noe.fit
pddf	/app/data/pr_computation/no/1noe/1noe.pr.out
profile	/app/data/saxs_computation/no/1noe/1noe.dat