SAXSdb — 7q4i

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

Glycoprotein-N-acetylgalactosamine 3-beta-galactosyltransferase 1

Drosophila melanogaster

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 A； UniProt 73–388 Chain B； UniProt 73–388	Not recorded	Mucin-1 × 2 （P15941） UDP URIDINE-5'-DIPHOSPHATE × 2 EDO 1,2-ETHANEDIOL × 3 MN MANGANESE (II) ION × 2 A2G 2-acetamido-2-deoxy-alpha-D-galactopyranose × 2	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；291 K；potassium thiocyanate, Polyethylene glycol monomethyl ether 2,000	Resolution 2.40 Å R-free 0.235

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.

No other PDB entry for the same UniProt protein was found.

View Construct and Data Evidence

UniProt name	C1GLT_DROME
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–316； UniProt 73–388 Author chain B； PDBConstruct 1–316； UniProt 73–388

Mucin-1

OrganismNot specified

UniProt P15941

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 F； UniProt 141–146 Chain G； UniProt 141–146	Non-standard monomer：Yes (specific site not provided by mmCIF)	Glycoprotein-N-acetylgalactosamine 3-beta-galactosyltransferase 1 × 2 （Q7K237） UDP URIDINE-5'-DIPHOSPHATE × 2 EDO 1,2-ETHANEDIOL × 3 MN MANGANESE (II) ION × 2 A2G 2-acetamido-2-deoxy-alpha-D-galactopyranose × 2	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；291 K；potassium thiocyanate, Polyethylene glycol monomethyl ether 2,000	Resolution 2.40 Å R-free 0.235

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 7Q4I	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1SM3 CRYSTAL STRUCTURE OF THE TUMOR SPECIFIC ANTIBODY SM3 COMPLEX WITH ITS PEPTIDE EPITOPE Deposited 1997-12-23	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain P 139–151（13 aa）	Not recorded	CD CADMIUM ION × 8 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 6；pH 6.0	Resolution 1.95 Å R-free 0.283
6BSB Crystal structure of the Mucin-1 SEA domain, L1105M mutant, Selenium-derivative Deposited 2017-12-01	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 1041–1097（57 aa） Fragment：SEA domain, N-terminal Chain B 1098–1152（55 aa） Fragment：SEA domain, C-terminal	Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；Native crystals (see related entry) were used as seeds in a drop of 1:1 mix of the SeMet-derivative (9 mg/ml in 10 mM Tris-Cl, pH 7.4) and reservoir solution (0.1 M sodium acetate trihydrate pH 4.6, 1.75 M sodium chloride, 0.2 M ammonium sulfate).	Resolution 1.60 Å R-free 0.222
6BSC Crystal structure of the Mucin-1 SEA domain Deposited 2017-12-01	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 1041–1097（57 aa） Fragment：SEA domain, N-terminal Chain B 1098–1152（55 aa） Fragment：SEA domain, C-terminal	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；Drop was a 1:1 mix of protein (10 mg/ml in 10 mM Tris-Cl, pH 7.4) and reservoir solution (0.1 M sodium acetate trihydrate pH 4.6, 2.0 M sodium chloride)	Resolution 1.30 Å R-free 0.184
6FZQ Crystal structure of scFv-SM3 in complex with compound 3 Deposited 2018-03-15	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 P 141–146（6 aa）	Not recorded	EDO 1,2-ETHANEDIOL × 10 EEN 2-deoxy-2-[(difluoroacetyl)amino]-alpha-D-galactopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；PEG 3350 disodium hydrogen phosphate	Resolution 1.70 Å R-free 0.225
6FZR Crystal structure of scFv-SM3 in complex with compound 2 Deposited 2018-03-15	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 P 141–146（6 aa） Fragment：UNP residues 141-146	Not recorded	EDO 1,2-ETHANEDIOL × 8 EEQ 2-deoxy-2-[(fluoroacetyl)amino]-alpha-D-galactopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；PEG 3350 disodium hydrogen phosphate	Resolution 1.80 Å R-free 0.232
6TGG scFv-1SM3 in complex with glycopeptide containing an sp2-imino sugar Deposited 2019-11-15	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 P 141–146（6 aa）	Not recorded	EDO 1,2-ETHANEDIOL × 4 N8W ~{N}-[(6~{S},7~{R},8~{S},8~{a}~{R})-7,8-bis(oxidanyl)-3-oxidanylidene-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]ethanamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；PEG 3350 disodium hydrogen phosphate	Resolution 2.00 Å R-free 0.237
7V4W Crystal structure of Antibody 16A in complex with MUC1 peptide Deposited 2021-08-15	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain C 145–157（13 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；Di-sodium hydrogen phosphate 0.2M, PEG 3350 20%	Resolution 2.10 Å R-free 0.233
7V64 Crystal structure of Antibody 16A in complex with MUC1 Glycopeptide(GlycoT) Deposited 2021-08-19	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain C 145–157（13 aa）	Not recorded	NGA 2-acetamido-2-deoxy-beta-D-galactopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；1.0 M Lithium chloride, 0.1 M Tris pH 8.5, 20% PEG 6000	Resolution 1.56 Å R-free 0.203
7V7K Crystal structure of Antibody 16A in complex with MUC1 Glycopeptide(GlycoST) Deposited 2021-08-21	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain C 145–157（13 aa）	Not recorded	NGA 2-acetamido-2-deoxy-beta-D-galactopyranose × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；1.0 M Lithium chloride, 0.1 M Tris pH 8.5, 20%(w/v) PEG 6000	Resolution 2.20 Å R-free 0.251
7V8Q Crystal structure of antibody 14A in complex with MUC1 Glycopeptide(GlycoT) Deposited 2021-08-23	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain G 145–157（13 aa）	Not recorded	NGA 2-acetamido-2-deoxy-beta-D-galactopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；289 K；Crystal screen D4=JCSG F7, 0.1 M Sodium citrate tribasic dihydrate pH 5.6, 20% v/v 2-Propanol, 20% w/v Polyethylene glycol 4000	Resolution 3.20 Å R-free 0.244
7V8Q Crystal structure of antibody 14A in complex with MUC1 Glycopeptide(GlycoT) Deposited 2021-08-23	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain H 145–157（13 aa）	Not recorded	NGA 2-acetamido-2-deoxy-beta-D-galactopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；289 K；Crystal screen D4=JCSG F7, 0.1 M Sodium citrate tribasic dihydrate pH 5.6, 20% v/v 2-Propanol, 20% w/v Polyethylene glycol 4000	Resolution 3.20 Å R-free 0.244
7V8Q Crystal structure of antibody 14A in complex with MUC1 Glycopeptide(GlycoT) Deposited 2021-08-23	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain I 145–157（13 aa）	Not recorded	NGA 2-acetamido-2-deoxy-beta-D-galactopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；289 K；Crystal screen D4=JCSG F7, 0.1 M Sodium citrate tribasic dihydrate pH 5.6, 20% v/v 2-Propanol, 20% w/v Polyethylene glycol 4000	Resolution 3.20 Å R-free 0.244
7VAC Crystal structure of antibody 14A in complex with MUC1 glycopeptide(GlycoST) Deposited 2021-08-28	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain G 145–157（13 aa）	Not recorded	NGA 2-acetamido-2-deoxy-beta-D-galactopyranose × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；289 K；0.1 M Sodium citrate pH 5.5, Isopropanol 10%, PEG 4000 20%	Resolution 3.50 Å R-free 0.219
7VAC Crystal structure of antibody 14A in complex with MUC1 glycopeptide(GlycoST) Deposited 2021-08-28	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain H 145–157（13 aa）	Not recorded	NGA 2-acetamido-2-deoxy-beta-D-galactopyranose × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；289 K；0.1 M Sodium citrate pH 5.5, Isopropanol 10%, PEG 4000 20%	Resolution 3.50 Å R-free 0.219
7VAC Crystal structure of antibody 14A in complex with MUC1 glycopeptide(GlycoST) Deposited 2021-08-28	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain I 145–157（13 aa）	Not recorded	NGA 2-acetamido-2-deoxy-beta-D-galactopyranose × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；289 K；0.1 M Sodium citrate pH 5.5, Isopropanol 10%, PEG 4000 20%	Resolution 3.50 Å R-free 0.219
7VAZ Crystal structure of antibody 14A in complex with MUC1 glycopeptide(GlycoS) Deposited 2021-08-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain G 145–157（13 aa）	Not recorded	NGA 2-acetamido-2-deoxy-beta-D-galactopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；289 K；0.1 M Sodium citrate pH 5.5, Isopropanol 10%, PEG 4000 20%	Resolution 2.73 Å R-free 0.264
7VAZ Crystal structure of antibody 14A in complex with MUC1 glycopeptide(GlycoS) Deposited 2021-08-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain E 145–157（13 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；289 K；0.1 M Sodium citrate pH 5.5, Isopropanol 10%, PEG 4000 20%	Resolution 2.73 Å R-free 0.264
7VAZ Crystal structure of antibody 14A in complex with MUC1 glycopeptide(GlycoS) Deposited 2021-08-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain I 145–157（13 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；289 K；0.1 M Sodium citrate pH 5.5, Isopropanol 10%, PEG 4000 20%	Resolution 2.73 Å R-free 0.264
8AXH Crystal structure of a MUC1-like glycopeptide containing the unnatural L-4-hydroxynorvaline in complex with scFv-SM3 Deposited 2022-08-31	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 141–146（6 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	EDO 1,2-ETHANEDIOL × 6 A2G 2-acetamido-2-deoxy-alpha-D-galactopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；PEG 3350 disodium hydrogen phosphate	Resolution 1.85 Å R-free 0.206
8P6I Crystal structure of the 139H2 Fab fragment bound to Muc1 peptide epitope Deposited 2023-05-26	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 141–149（9 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；293 K；0.2M NaCl 20%w/v PEG 8K 0.1M Na Phos Cit pH 4.2	Resolution 2.50 Å R-free 0.254
8P6I Crystal structure of the 139H2 Fab fragment bound to Muc1 peptide epitope Deposited 2023-05-26	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain a 141–149（9 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；293 K；0.2M NaCl 20%w/v PEG 8K 0.1M Na Phos Cit pH 4.2	Resolution 2.50 Å R-free 0.254
8S6K Crystal structure of ScFv-G2D11 complexed to a bis-Tn glycopeptide Deposited 2024-02-27	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 M 127–133（7 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	EDO 1,2-ETHANEDIOL × 7 A2G 2-acetamido-2-deoxy-alpha-D-galactopyranose × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；lithium chloride Tris PEG 8000	Resolution 1.75 Å R-free 0.221
8S6K Crystal structure of ScFv-G2D11 complexed to a bis-Tn glycopeptide Deposited 2024-02-27	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 N 127–133（7 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	EDO 1,2-ETHANEDIOL × 5 A2G 2-acetamido-2-deoxy-alpha-D-galactopyranose × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；lithium chloride Tris PEG 8000	Resolution 1.75 Å R-free 0.221
8S6T Crystal structure of Fab-3F1 complexed to a bis-STn glycopeptide Deposited 2024-02-28	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric	Chain C 126–138（13 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；Magnesium chloride hexahydrate calcium chloride dihydrate NDSB sodium HEPES MOPS ethylene glycol PEG 8000	Resolution 1.85 Å R-free 0.267
8S6V Crystal structure of Fab-2D9 chimera complexed to a bis-Tn glycopeptide Deposited 2024-02-28	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain M 127–135（9 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	EDO 1,2-ETHANEDIOL × 4 SO4 SULFATE ION × 2 A2G 2-acetamido-2-deoxy-alpha-D-galactopyranose × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；291 K；lithium sulfate Bis-Tris PEG 3350	Resolution 1.95 Å R-free 0.244
8S6V Crystal structure of Fab-2D9 chimera complexed to a bis-Tn glycopeptide Deposited 2024-02-28	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain N 127–135（9 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	EDO 1,2-ETHANEDIOL × 7 SO4 SULFATE ION × 3 A2G 2-acetamido-2-deoxy-alpha-D-galactopyranose × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；291 K；lithium sulfate Bis-Tris PEG 3350	Resolution 1.95 Å R-free 0.244

17 other PDB entries and 26 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	MUC1_HUMAN
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain F； PDBConstruct 1–6； UniProt 141–146 Author chain G； PDBConstruct 1–6； UniProt 141–146

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	7q4i
Deposition date deposition_date	2021-10-31
Structure title title	Crystal structure of DmC1GalT1 in complex with UDP-Mn2+ and the APD-TGalNAc-RP
Keywords keywords	C1GalT1, T-synthase, T antigen, Tn antigen, mucin-type O-glycosylation, TRANSFERASE; TRANSFERASE
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	27.38 Å
Radius of gyration Rg (electron density) rg_electron	26.86 Å
Forward intensity I(0) i0	75810400.00
Molecular weight molecular_weight	67522.0 kDa
Excluded volume excluded_volume	84001 Å³
Envelope volume envelope_volume	97725 Å³
Hydration-shell volume shell_volume	30702 Å³
Envelope diameter envelope_diameter	103.5 Å
Shell Rg shell_rg	33.78 Å
Envelope Rg envelope_rg	26.95 Å
Shape Rg shape_rg	26.85 Å
Total Rg total_rg	27.59 Å
Total atoms total_atoms	4748
Residues n_residues	570
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	93.2 Å
Rg (real space) rg_real	27.46 Å
Rg uncertainty (real space) rg_real_error	0.83 Å
I(0) (real space) i0_real	7.5810e+07
I(0) uncertainty (real space) i0_real_error	1.1110e+06
Rg (reciprocal space) rg_reciprocal	27.44 Å
I(0) (reciprocal space) i0_reciprocal	75810000.0000
Solution quality estimate total_estimate	0.8643
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	28.9 Å
Skewness Skewness skewness	0.440
Kurtosis Kurtosis kurtosis	-0.357
Angular range angular_range	— – 0.2900 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	20440000.0000
Real-space data points n_real_points	59
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.776; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.958; Smooth: 0.946

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (7)

Entity 1 Entity 1 polymer

Description description	Glycoprotein-N-acetylgalactosamine 3-beta-galactosyltransferase 1
Molecular weight formula_weight	36265.8 kDa
EC 编号 ec_number	2.4.1.122
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B
Atom count atom_count	4830

SGPEQDVGGHEHVHENSTIAERLYSEVRVLCWIMTNPSNHQKKARHVKRTWGKRCNKLIFMSSAKDDELDAVALPVGEGRNNLWGKTKEAYKYIYEHHINDADWFLKADDDTYTIVENMRYMLYPYSPETPVYFGCKFKPYVKQGYMSGGAGYVLSREAVRRFVVEALPNPKLCKSDNSGAEDVEIGKCLQNVNVLAGDSRDSNGRGRFFPFVPEHHLIPSHTDKKFWYWQYIFYKTDEGLDCCSDNAISFHYVSPNQMYVLDYLIYHLRPYGIINTPDALPNKLAVGELMPEIKEQATESTSDGVSKRSAETKTQ

来源 Source

来源生物 organism	Drosophila melanogaster
通用名 common_name	Fruit fly
NCBI Class编号 ncbi_taxonomy_id	7227
宿主生物 host_organism	Homo sapiens

Entity 2 Entity 2 polymer

Description description	Mucin-1
Molecular weight formula_weight	655.7 kDa
Source method src_method	syn
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	G,F

APDTRP

Entity 3 Entity 3 non-polymer

Description description	URIDINE-5'-DIPHOSPHATE
Molecular weight formula_weight	404.2 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 4 Entity 4 non-polymer

Description description	1,2-ETHANEDIOL
Molecular weight formula_weight	62.1 kDa
Source method src_method	syn
Copy count entity_count	3

Entity 5 Entity 5 non-polymer

Description description	MANGANESE (II) ION
Molecular weight formula_weight	54.9 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 6 Entity 6 non-polymer

Description description	2-acetamido-2-deoxy-alpha-D-galactopyranose
Molecular weight formula_weight	221.2 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 7 Entity 7 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	74

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7. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

Domain ID domain_id	7q4iA01
Class class	3 — Alpha Beta
Architecture architecture	90 — Alpha-Beta Complex
Topology topology	550 — Spore Coat Polysaccharide Biosynthesis Protein SpsA; Chain A
Homologous superfamily homologous superfamily	50 —

Domain ID domain_id	7q4iB01
Class class	3 — Alpha Beta
Architecture architecture	90 — Alpha-Beta Complex
Topology topology	550 — Spore Coat Polysaccharide Biosynthesis Protein SpsA; Chain A
Homologous superfamily homologous superfamily	50 —

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8. Citations (1)

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Unit-cell length a length_a	50.241 Å
Unit-cell length b length_b	80.445 Å
Unit-cell length c length_c	71.949 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	93.19 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	4

Space group space_group	P 1 21 1
Space-group number int_tables_number	4
Crystal system crystal_system	—

Resolution resolution	2.400 Å
Low-resolution limit resolution_low	20.000 Å
R factor r_factor	0.1778
R_work r_work	0.1755
R_free r_free	0.2347

fit	/app/data/saxs_computation/q4/7q4i/7q4i.fit
pddf	/app/data/pr_computation/q4/7q4i/7q4i.pr.out
profile	/app/data/saxs_computation/q4/7q4i/7q4i.dat

Crystal structure of DmC1GalT1 in complex with UDP-Mn2+ and the APD-TGalNAc-RP

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

Glycoprotein-N-acetylgalactosamine 3-beta-galactosyltransferase 1

State in the Current Structure

Other States of the Same Protein in the Database

Mucin-1

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

Diffraction experiment Diffraction

6. Entities and Polymers Entities & Polymers (7)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 polymer

Polymer Polymer

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 non-polymer

Entity 6 Entity 6 non-polymer

Entity 7 Entity 7 water

7. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)