SAXSdb — 2q4g

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

Ribonuclease pancreatic

Homo sapiens

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 heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count	Chain X； UniProt 29–156 Chain Z； UniProt 29–156	Not recorded	Ribonuclease inhibitor × 2 （P13489） CIT CITRIC ACID × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed experimental conditions	Resolution 1.95 Å R-free 0.224

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 2Q4G	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1DZA 3-D structure of a HP-RNase Deposited 2000-02-21	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 28–156（129 aa）	Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 8.5；pH 8.50	Resolution 1.65 Å R-free 0.236
1DZA 3-D structure of a HP-RNase Deposited 2000-02-21	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 28–156（129 aa）	Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 8.5；pH 8.50	Resolution 1.65 Å R-free 0.236
1E21 Ribonuclease 1 des1-7 Crystal Structure at 1.9A Deposited 2000-05-15	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 29–156（128 aa）	Mutation：YES	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 8.5；7% PEG 8K, 0.1M TRIS-HCL PH 8.5	Resolution 1.90 Å R-free 0.251
1H8X Domain-swapped Dimer of a Human Pancreatic Ribonuclease Variant Deposited 2001-02-16	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 29–156（128 aa） Fragment：RNASE 1, HP-RNASE Chain B 29–156（128 aa） Fragment：RNASE 1, HP-RNASE	Mutation：YES Mutation：YES	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 9；pH 9.00	Resolution 2.00 Å R-free 0.243
1Z7X X-ray structure of human ribonuclease inhibitor complexed with ribonuclease I Deposited 2005-03-28	Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain X 29–156（128 aa） Chain Z 29–156（128 aa）	Not recorded	CIT CITRIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 4.2；293 K；10% MEPEG 2000, 0.020 M SODIUM CITRATE, 0.025 M DTT, 0.001 M AMMONIUM SULFATE, vapor diffusion, HANGING DROP, temperature 293K, pH 4.2	Resolution 1.95 Å R-free 0.236
2E0J Mutant Human Ribonuclease 1 (R31L, R32L) Deposited 2006-10-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 29–156（128 aa）	Mutation：R31L, R32L	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 4.6；293 K；26% PEG 4000, 0.2M ammpnium sulfate, 0.1M sodium acetate , pH 4.6, VAPOR DIFFUSION, temperature 293K	Resolution 1.60 Å R-free 0.217
2E0J Mutant Human Ribonuclease 1 (R31L, R32L) Deposited 2006-10-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 29–156（128 aa）	Mutation：R31L, R32L	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 4.6；293 K；26% PEG 4000, 0.2M ammpnium sulfate, 0.1M sodium acetate , pH 4.6, VAPOR DIFFUSION, temperature 293K	Resolution 1.60 Å R-free 0.217
2E0L Mutant Human Ribonuclease 1 (Q28L, R31L, R32L) Deposited 2006-10-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 29–156（128 aa）	Mutation：Q28L, R31L, R32L	CD CADMIUM ION × 5 CL CHLORIDE ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 4.6；293 K；30% PEG 400, 0.1M cadmium chloride, 0.1M sodium acetate , pH 4.6, VAPOR DIFFUSION, temperature 293K	Resolution 1.60 Å R-free 0.215
2E0L Mutant Human Ribonuclease 1 (Q28L, R31L, R32L) Deposited 2006-10-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 29–156（128 aa）	Mutation：Q28L, R31L, R32L	CD CADMIUM ION × 3 CL CHLORIDE ION × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 4.6；293 K；30% PEG 400, 0.1M cadmium chloride, 0.1M sodium acetate , pH 4.6, VAPOR DIFFUSION, temperature 293K	Resolution 1.60 Å R-free 0.215
2E0L Mutant Human Ribonuclease 1 (Q28L, R31L, R32L) Deposited 2006-10-10	Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 29–156（128 aa） Chain B 29–156（128 aa）	Mutation：Q28L, R31L, R32L Mutation：Q28L, R31L, R32L	CD CADMIUM ION × 16 CL CHLORIDE ION × 22	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 4.6；293 K；30% PEG 400, 0.1M cadmium chloride, 0.1M sodium acetate , pH 4.6, VAPOR DIFFUSION, temperature 293K	Resolution 1.60 Å R-free 0.215
2E0M Mutant Human Ribonuclease 1 (T24L, Q28L, R31L, R32L) Deposited 2006-10-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 29–156（128 aa）	Mutation：T24L, Q28L, R31L, R32L	CD CADMIUM ION × 5 CL CHLORIDE ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 4.6；293 K；30% PEG 400, 0.1M cadmium chloride, 0.1M sodium acetate, pH 4.6, VAPOR DIFFUSION, temperature 293K	Resolution 1.70 Å R-free 0.214
2E0M Mutant Human Ribonuclease 1 (T24L, Q28L, R31L, R32L) Deposited 2006-10-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 29–156（128 aa）	Mutation：T24L, Q28L, R31L, R32L	CD CADMIUM ION × 3 CL CHLORIDE ION × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 4.6；293 K；30% PEG 400, 0.1M cadmium chloride, 0.1M sodium acetate, pH 4.6, VAPOR DIFFUSION, temperature 293K	Resolution 1.70 Å R-free 0.214
2E0M Mutant Human Ribonuclease 1 (T24L, Q28L, R31L, R32L) Deposited 2006-10-10	Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 29–156（128 aa） Chain B 29–156（128 aa）	Mutation：T24L, Q28L, R31L, R32L Mutation：T24L, Q28L, R31L, R32L	CD CADMIUM ION × 16 CL CHLORIDE ION × 22	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 4.6；293 K；30% PEG 400, 0.1M cadmium chloride, 0.1M sodium acetate, pH 4.6, VAPOR DIFFUSION, temperature 293K	Resolution 1.70 Å R-free 0.214
2E0O Mutant Human Ribonuclease 1 (V52L, D53L, N56L, F59L) Deposited 2006-10-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 29–156（128 aa）	Mutation：V52L, D53L, N56L, F59L	SO4 SULFATE ION × 5 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；293 K；1.0M ammonium sulfate, 0.1M MES, pH 6.5, VAPOR DIFFUSION, temperature 293K	Resolution 2.00 Å R-free 0.255
2E0O Mutant Human Ribonuclease 1 (V52L, D53L, N56L, F59L) Deposited 2006-10-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 29–156（128 aa）	Mutation：V52L, D53L, N56L, F59L	SO4 SULFATE ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；293 K；1.0M ammonium sulfate, 0.1M MES, pH 6.5, VAPOR DIFFUSION, temperature 293K	Resolution 2.00 Å R-free 0.255
2E0O Mutant Human Ribonuclease 1 (V52L, D53L, N56L, F59L) Deposited 2006-10-10	Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 29–156（128 aa） Chain B 29–156（128 aa）	Mutation：V52L, D53L, N56L, F59L Mutation：V52L, D53L, N56L, F59L	SO4 SULFATE ION × 18 GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；293 K；1.0M ammonium sulfate, 0.1M MES, pH 6.5, VAPOR DIFFUSION, temperature 293K	Resolution 2.00 Å R-free 0.255
2E0O Mutant Human Ribonuclease 1 (V52L, D53L, N56L, F59L) Deposited 2006-10-10	Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 29–156（128 aa） Chain B 29–156（128 aa）	Mutation：V52L, D53L, N56L, F59L Mutation：V52L, D53L, N56L, F59L	SO4 SULFATE ION × 18 GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；293 K；1.0M ammonium sulfate, 0.1M MES, pH 6.5, VAPOR DIFFUSION, temperature 293K	Resolution 2.00 Å R-free 0.255
2K11 Solution structure of human pancreatic ribonuclease Deposited 2008-02-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 29–155（127 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 4.7；298 K；Pressure ambient NMR sample composition 1.2 mM Human pancreatic ribonuclease, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR sample composition 1.2 mM Human pancreatic ribonuclease, 100% D2O \| 100% D2O NMR sample composition 1.2 mM [U-15N] Human pancreatic ribonuclease, 90% H2O/10% D2O \| 90% H2O/10% D2O	Resolution not provided
3F8G The X-ray structure of a dimeric variant of human pancreatic ribonuclease with high cytotoxic and antitumor activities Deposited 2008-11-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 29–153（125 aa） Chain B 29–153（125 aa）	Mutation：Q28L, R31C, R32C, N34K, E111G Mutation：Q28L, R31C, R32C, N34K, E111G	SO4 SULFATE ION × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；A protein solution of 10mg/ml in 10mM Tris acteate ph 7.0, 300mM NaCl was equilibrated against a solution containing 27% w/v PEG, 0.2 M AS, and 100mM cacodylate buffer ph 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 2.60 Å R-free 0.306
4KXH The X-ray crystal structure of a dimeric variant of human pancreatic ribonuclease Deposited 2013-05-26	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 29–151（123 aa） Fragment：unp residues 29-151 Chain B 29–151（123 aa） Fragment：unp residues 29-151	Not recorded	SO4 SULFATE ION × 6 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；20% PEG 8000, 0.1M ammonium sulphate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.70 Å R-free 0.246
4KXH The X-ray crystal structure of a dimeric variant of human pancreatic ribonuclease Deposited 2013-05-26	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain C 29–151（123 aa） Fragment：unp residues 29-151 Chain D 29–151（123 aa） Fragment：unp residues 29-151	Not recorded	SO4 SULFATE ION × 7 NA SODIUM ION × 2 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；20% PEG 8000, 0.1M ammonium sulphate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.70 Å R-free 0.246

11 other PDB entries and 21 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	RNAS1_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain X； PDBConstruct 2–129； UniProt 29–156 Author chain Z； PDBConstruct 2–129； UniProt 29–156

Ribonuclease inhibitor

Homo sapiens

UniProt P13489

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 heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count	Chain W； UniProt 1–461 Chain Y； UniProt 1–461	Not recorded	Ribonuclease pancreatic × 2 （P07998） CIT CITRIC ACID × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed experimental conditions	Resolution 1.95 Å R-free 0.224

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 2Q4G	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1A4Y RIBONUCLEASE INHIBITOR-ANGIOGENIN COMPLEX Deposited 1998-02-08	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 1–460（460 aa） Chain D 1–460（460 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 4.2；THE COMPLEX WAS CRYSTALLIZED FROM 10% PEG4000, 20MM SODIUM CITRATE (PH 4.2), 0.1 AMMONIUM SULPHATE AND 25 MM DTT.	Resolution 2.00 Å R-free 0.286
1Z7X X-ray structure of human ribonuclease inhibitor complexed with ribonuclease I Deposited 2005-03-28	Different construct Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain W 1–460（460 aa） Chain Y 1–460（460 aa）	Not recorded	CIT CITRIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 4.2；293 K；10% MEPEG 2000, 0.020 M SODIUM CITRATE, 0.025 M DTT, 0.001 M AMMONIUM SULFATE, vapor diffusion, HANGING DROP, temperature 293K, pH 4.2	Resolution 1.95 Å R-free 0.236
2BEX Crystal structure of Placental Ribonuclease Inhibitor in complex with Human Eosinophil Derived Neurotoxin at 2A resolution Deposited 2004-12-01	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–460（460 aa）	Not recorded	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；1M SODIUM MALONATE, PH 7.0	Resolution 1.99 Å R-free 0.243
2BEX Crystal structure of Placental Ribonuclease Inhibitor in complex with Human Eosinophil Derived Neurotoxin at 2A resolution Deposited 2004-12-01	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 1–460（460 aa）	Not recorded	MAK ALPHA-KETOMALONIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；1M SODIUM MALONATE, PH 7.0	Resolution 1.99 Å R-free 0.243

3 other PDB entries and 4 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	RINI_HUMAN
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain W； PDBConstruct 1–461； UniProt 1–461 Author chain Y； PDBConstruct 1–461； UniProt 1–461

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	2q4g
Deposition date deposition_date	2007-05-31
Structure title title	Ensemble refinement of the protein crystal structure of human ribonuclease inhibitor complexed with ribonuclease I
Keywords keywords	;Ensemble Refinement, Refinement Methodology Development, RIBONUCLEASE-INHIBITOR COMPLEX, LEUCINE-RICH REPEAT, ENZYME-INHIBITOR COMPLEX, Structural Genomics, Protein Structure Initiative, PSI, Center for Eukaryotic Structural Genomics, CESG, HYDROLASE-HYDROLASE INHIBITOR COMPLEX ;; HYDROLASE/HYDROLASE INHIBITOR
Experimental Method method	X-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier	31.77 Å
Radius of gyration Rg (electron density) rg_electron	31.17 Å
Forward intensity I(0) i0	16205800000.00
Molecular weight molecular_weight	1028000.0 kDa
Excluded volume excluded_volume	1266300 Å³
Envelope volume envelope_volume	216440 Å³
Hydration-shell volume shell_volume	55050 Å³
Envelope diameter envelope_diameter	109.4 Å
Shell Rg shell_rg	40.24 Å
Envelope Rg envelope_rg	30.93 Å
Shape Rg shape_rg	31.18 Å
Total Rg total_rg	31.23 Å
Total atoms total_atoms	71528
Residues n_residues	9376
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	100.0 Å
Rg (real space) rg_real	31.55 Å
Rg uncertainty (real space) rg_real_error	0.49 Å
I(0) (real space) i0_real	1.6210e+10
I(0) uncertainty (real space) i0_real_error	2.4110e+08
Rg (reciprocal space) rg_reciprocal	31.65 Å
I(0) (reciprocal space) i0_reciprocal	16210000000.0000
Solution quality estimate total_estimate	0.8810
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	44.0 Å
Skewness Skewness skewness	0.138
Kurtosis Kurtosis kurtosis	-0.276
Angular range angular_range	— – 0.2500 Å⁻¹
Current regularization parameter α current_alpha	0.0001
Highest regularization parameter α highest_alpha	76590000.0000
Real-space data points n_real_points	51
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.828; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.973; Smooth: 0.992

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (4)

Entity 1 Entity 1 polymer

Description description	Ribonuclease pancreatic
Molecular weight formula_weight	14728.6 kDa
EC 编号 ec_number	3.1.27.5
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	X,Z
Atom count atom_count	78360

MKESRAKKFQRQHMDSDSSPSSSSTYCNQMMRRRNMTQGRCKPVNTFVHEPLVDVQNVCFQEKVTCKNGQGNCYKSNSSMHITDCRLTNGSRYPNCAYRTSPKERHIIVACEGSPYVPVHFDASVEDST

来源 Source

来源生物 organism	Homo sapiens
通用名 common_name	human
NCBI Class编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Escherichia coli BL21(DE3)

Entity 2 Entity 2 polymer

Description description	Ribonuclease inhibitor
Molecular weight formula_weight	50018.4 kDa
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	W,Y

MSLDIQSLDIQCEELSDARWAELLPLLQQCQVVRLDDCGLTEARCKDISSALRVNPALAELNLRSNELGDVGVHCVLQGLQTPSCKIQKLSLQNCCLTGAGCGVLSSTLRTLPTLQELHLSDNLLGDAGLQLLCEGLLDPQCRLEKLQLEYCSLSAASCEPLASVLRAKPDFKELTVSNNDINEAGVRVLCQGLKDSPCQLEALKLESCGVTSDNCRDLCGIVASKASLRELALGSNKLGDVGMAELCPGLLHPSSRLRTLWIWECGITAKGCGDLCRVLRAKESLKELSLAGNELGDEGARLLCETLLEPGCQLESLWVKSCSFTAACCSHFSSVLAQNRFLLELQISNNRLEDAGVRELCQGLGQPGSVLRVLWLADCDVSDSSCSSLAATLLANHSLRELDLSNNCLGDAGILQLVESVRQPGCLLEQLVLYDIYWSEEMEDRLQALEKDKPSLRVIS

来源 Source

来源生物 organism	Homo sapiens
通用名 common_name	human
NCBI Class编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Escherichia coli BL21(DE3)

Entity 3 Entity 3 non-polymer

Description description	CITRIC ACID
Molecular weight formula_weight	192.1 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 4 Entity 4 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	854

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7. Fold Classification (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

Domain ID domain_id	d2q4gw_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.10 — Leucine-rich repeat, LRR (right-handed beta-alpha superhelix)
Superfamily Superfamily superfamily	c.10.1 — RNI-like
Family Family family	c.10.1.1 — 28-residue LRR

Domain ID domain_id	d2q4gx_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.5 — RNase A-like
Superfamily Superfamily superfamily	d.5.1 — RNase A-like
Family Family family	d.5.1.1 — Ribonuclease A-like

Domain ID domain_id	d2q4gy_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.10 — Leucine-rich repeat, LRR (right-handed beta-alpha superhelix)
Superfamily Superfamily superfamily	c.10.1 — RNI-like
Family Family family	c.10.1.1 — 28-residue LRR

Domain ID domain_id	d2q4gz_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.5 — RNase A-like
Superfamily Superfamily superfamily	d.5.1 — RNase A-like
Family Family family	d.5.1.1 — Ribonuclease A-like

CATH v4.4 (4 domains)

Domain ID domain_id	2q4gW00
Class class	3 — Alpha Beta
Architecture architecture	80 — Alpha-Beta Horseshoe
Topology topology	10 — Leucine-rich repeat, LRR (right-handed beta-alpha superhelix)
Homologous superfamily homologous superfamily	10 — Ribonuclease Inhibitor

Domain ID domain_id	2q4gX00
Class class	3 — Alpha Beta
Architecture architecture	10 — Roll
Topology topology	130 — P-30 Protein
Homologous superfamily homologous superfamily	10 — Ribonuclease A-like domain

Domain ID domain_id	2q4gY00
Class class	3 — Alpha Beta
Architecture architecture	80 — Alpha-Beta Horseshoe
Topology topology	10 — Leucine-rich repeat, LRR (right-handed beta-alpha superhelix)
Homologous superfamily homologous superfamily	10 — Ribonuclease Inhibitor

Domain ID domain_id	2q4gZ00
Class class	3 — Alpha Beta
Architecture architecture	10 — Roll
Topology topology	130 — P-30 Protein
Homologous superfamily homologous superfamily	10 — Ribonuclease A-like domain

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8. Citations (2)

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Unit-cell length a length_a	71.338 Å
Unit-cell length b length_b	107.546 Å
Unit-cell length c length_c	155.036 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	8

Space group space_group	P 21 21 21
Space-group number int_tables_number	19
Crystal system crystal_system	—

Resolution resolution	1.954 Å
Low-resolution limit resolution_low	47.173 Å
R factor r_factor	0.1610
R_work r_work	0.1610
R_free r_free	0.2240

fit	/app/data/saxs_computation/q4/2q4g/2q4g.fit
pddf	/app/data/pr_computation/q4/2q4g/2q4g.pr.out
profile	/app/data/saxs_computation/q4/2q4g/2q4g.dat

Ensemble refinement of the protein crystal structure of human ribonuclease inhibitor complexed with ribonuclease I

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

Ribonuclease pancreatic

State in the Current Structure

Other States of the Same Protein in the Database

Ribonuclease inhibitor

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

Refinement Refinement

6. Entities and Polymers Entities & Polymers (4)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 polymer

Polymer Polymer

来源 Source

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 water

7. Fold Classification (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

CATH v4.4 (4 domains)

8. Citations (2)

9. Files and Curves (10)

Files (7)

Curves (3)