SAXSdb — 3b6d

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

Cholesterol oxidase

Streptomyces sp.

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 43–546	Mutation：H447Q/E361Q	SO4 SULFATE ION × 1 FAE FLAVIN-N7 PROTONATED-ADENINE DINUCLEOTIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 5.2；291 K；10% PEG 8000, 75mM MnSO4, 100mM CACODYLATE pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.20 Å R-free 0.172

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 3B6D	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1B4V CHOLESTEROL OXIDASE FROM STREPTOMYCES Deposited 1998-12-30	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 43–546（504 aa）	Not recorded	FAD FLAVIN-ADENINE DINUCLEOTIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.2；PRECIPITANT CONDITIONS: 10- 12% PEG 8000, 100MM SODIUM CACODYLATE PH 5.2, 75MM MNSO4 PROTEIN CONCENTRATION 8.5MG/ML, VAPOR DIFFUSION, HANGING DROP	Resolution 1.50 Å R-free 0.200
1B8S CHOLESTEROL OXIDASE FROM STREPTOMYCES GLU361GLN MUTANT Deposited 1999-02-02	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 46–536（491 aa）	Mutation：GLU361GLN	FAD FLAVIN-ADENINE DINUCLEOTIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.2；PRECIPITANT CONDITIONS: 10-12% PEG 8000, 100MM SODIUM CACODYLATE PH 5.2, 75MM MNSO4 PROTEIN CONCENTRATION 8.5MG/ML , VAPOR DIFFUSION, HANGING DROP	Resolution 1.65 Å R-free 0.231
1CBO CHOLESTEROL OXIDASE FROM STREPTOMYCES HIS447ASN MUTANT Deposited 1999-02-26	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 43–546（504 aa）	Mutation：H447N	FAD FLAVIN-ADENINE DINUCLEOTIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.2；CRYSTALLIZATION CONDITIONS: VAPOUR DIFFUSION USING THE HANGING DROP TECHNIQUE, PRECIPITANT CONDITIONS: 10-12% PEG 8000, 100MM SODIUM CACODYLATE PH 5.2, 75MM MNSO4 PROTEIN CONCENTRATION 8.5MG/ML	Resolution 1.80 Å R-free 0.194
1CC2 CHOLESTEROL OXIDASE FROM STREPTOMYCES HIS447GLN MUTANT Deposited 1999-03-03	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 43–546（504 aa）	Mutation：H447Q	FAD FLAVIN-ADENINE DINUCLEOTIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.2；CRYSTALLIZATION CONDITIONS: VAPOUR DIFFUSION USING THE HANGING DROP TECHNIQUE, PRECIPITANT CONDITIONS: 10-12% PEG 8000 100MM SODIUM CACODYLATE PH 5.2, 75MM MNSO4 PROTEIN CONCENTRATION 8.5MG/ML	Resolution 2.20 Å R-free 0.235
1IJH CHOLESTEROL OXIDASE FROM STREPTOMYCES ASN485LEU MUTANT Deposited 2001-04-26	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 43–546（504 aa）	Mutation：N485L	FAD FLAVIN-ADENINE DINUCLEOTIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.2；290 K；PEG 8000, SODIUM CACODYLATE, MNSO4, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 290K	Resolution 1.53 Å R-free 0.213
1MXT Atomic resolution structure of Cholesterol oxidase (Streptomyces sp. SA-COO) Deposited 2002-10-03	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 43–546（504 aa）	Not recorded	SO4 SULFATE ION × 1 FAE FLAVIN-N7 PROTONATED-ADENINE DINUCLEOTIDE × 1 OXY OXYGEN MOLECULE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；PEG 8000, manganese sulfate, cacodylate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K	Resolution 0.95 Å R-free 0.132
1N1P ATOMIC RESOLUTION STRUCTURE OF CHOLESTEROL OXIDASE @ pH 7.4 (STREPTOMYCES SP. SA-COO) Deposited 2002-10-18	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 43–546（504 aa）	Not recorded	MN MANGANESE (II) ION × 3 FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；290 K；PEG 8000, MANGANESE SULFATE,GLYCINE, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 290K	Resolution 0.95 Å R-free 0.119
1N4U CHOLESTEROL OXIDASE FROM STREPTOMYCES @ pH 4.5 (STREPTOMYCES SP. SA-COO) Deposited 2002-11-01	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 43–546（504 aa）	Not recorded	PO4 PHOSPHATE ION × 5 FAE FLAVIN-N7 PROTONATED-ADENINE DINUCLEOTIDE × 1 OXY OXYGEN MOLECULE × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 4.5；pH 4.5	Resolution 0.95 Å R-free 0.136
1N4V ATOMIC RESOLUTION STRUCTURE OF CHOLESTEROL OXIDASE @pH 5.8 (STREPTOMYCES SP. SA-COO) Deposited 2002-11-01	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 43–546（504 aa）	Not recorded	FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.8；PEG 8000, MANGANESE SULFATE, CACODYLATE, pH 5.8	Resolution 1.00 Å R-free 0.147
1N4W ATOMIC RESOLUTION STRUCTURE OF CHOLESTEROL OXIDASE @ pH 7.3 (STREPTOMYCES SP. SA-COO) Deposited 2002-11-01	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 43–546（504 aa）	Not recorded	MN MANGANESE (II) ION × 1 FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.3；PEG 8000, MANGANESE SULFATE, MES, pH 7.3	Resolution 0.92 Å R-free 0.122
2GEW Atomic resolution structure of cholesterol oxidase @ pH 9.0 (Streptomyces sp. SA-COO) Deposited 2006-03-20	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 43–546（504 aa）	Not recorded	SO4 SULFATE ION × 1 FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 OXY OXYGEN MOLECULE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；298 K；PEG 8000, AMMONIUM SULFATE, PIPES PH 7.5,VAPOR DIFFUSION, HANGING DROP, temperature 298K, SOAK CONDITION STEP 1: PEG 8000, AMMONIUM SULFATE, HEPES PH 8.0 SOAK CONDITION STEP 2: PEG 8000, AMMONIUM SULFATE, TRICINE PH 8.5 SOAK CONDITION STEP 3: PEG 8000, AMMONIUM SULFATE, CHES PH 9.0,	Resolution 0.97 Å R-free 0.140
3B3R Crystal structure of Streptomyces cholesterol oxidase H447Q/E361Q mutant bound to glycerol (0.98A) Deposited 2007-10-22	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 42–546（505 aa）	Mutation：E361Q/H447Q	SO4 SULFATE ION × 2 FAE FLAVIN-N7 PROTONATED-ADENINE DINUCLEOTIDE × 1 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.2；291 K；10% PEG 8000, 75mM magnesium sulfate, 100mM cacodylate, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 0.98 Å R-free 0.159
3CNJ Cholesterol oxidase from Streptomyces sp. F359W mutant (0.95A) Deposited 2008-03-25	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 45–543（499 aa）	Mutation：F359W	SO4 SULFATE ION × 2 FAD FLAVIN-ADENINE DINUCLEOTIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.2；291 K；PEG 8000, MANGANESE SULFATE, CACODYLATE (PH 5.2), VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 0.95 Å R-free 0.175
3GYI Cholesterol oxidase from Streptomyces sp. N485D mutant (1.0A) Deposited 2009-04-03	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 43–546（504 aa）	Mutation：N485D	FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.2；291 K；9-11% PEG 8000, 75 mM MnSO4, 100 mM cacodylate, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.00 Å R-free 0.158
3GYJ Cholesterol oxidase from Streptomyces sp. N485L mutant (0.92A) Deposited 2009-04-03	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 43–546（504 aa）	Mutation：N485L	FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.2；291 K；9-11% PEG 8000, 75 mM MnSO4, 100 mM cacodylate, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 0.92 Å R-free 0.151
4REK Crystal structure and charge density studies of cholesterol oxidase from Brevibacterium sterolicum at 0.74 ultra-high resolution Deposited 2014-09-23	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 46–544（499 aa） Fragment：UNP residues 64-544	Not recorded	FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.2；290.15 K；The crystallization solution was composed of 9-11% poly(ethylene glycol) (PEG) MW 8000, 75mM MnSO4 and 100mM sodium cacodylate buffer., pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 290.15K	Resolution 0.74 Å R-free 0.123
4U2L Dithionite reduced cholesterol in complex with sulfite Deposited 2014-07-17	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 43–546（504 aa）	Not recorded	SO4 SULFATE ION × 3 SFD (S)-10-((2S,3S,4R)-5-((S)-((S)-(((2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHOXY)(HYDROXY)PHOSPHORYLOXY)(HYDROXY)PHOSPHORYLOXY)-2,3,4-TRIHYDROXYPENTYL)-7,8-DIMETHYL-2,4-DIOXO-2,3,4,4A-TETRAHYDROBENZO[G]PTERIDINE-5(10H)-SULFONIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.2；293 K；PEG 8000, manganese chloride, cacodylate	Resolution 1.34 Å R-free 0.133
4U2S Cholesterol oxidase in the reduced state complexed with isopropanol Deposited 2014-07-18	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 43–546（504 aa）	Not recorded	SO4 SULFATE ION × 4 FDA DIHYDROFLAVINE-ADENINE DINUCLEOTIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 8000, manganese sulfate, cacodylate	Resolution 1.12 Å R-free 0.107
4U2T Cholesterol oxidase in the oxidised state complexed with isopropanol Deposited 2014-07-18	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 43–546（504 aa）	Not recorded	SO4 SULFATE ION × 1 FAD FLAVIN-ADENINE DINUCLEOTIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 8000, manganese sulfate, cacodylate	Resolution 1.22 Å R-free 0.149
4XWR X-ray structure of perdeuterated Cholesterol Oxidase from Streptomyces SA-COO Deposited 2015-01-29	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 43–546（504 aa）	Not recorded	FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.2；293 K；PEG 8K, MnSO4, sodium cacodylate	Resolution 1.10 Å R-free 0.107
4XXG Structure of protonated Cholesterol Oxidase from Streptomyces SA-COO Deposited 2015-01-30	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 43–546（504 aa）	Not recorded	FAD FLAVIN-ADENINE DINUCLEOTIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 8K, MnSO4, sodium cacodylate	Resolution 0.85 Å R-free 0.124
5KWF Joint X-ray Neutron Structure of Cholesterol Oxidase Deposited 2016-07-18	Different mutation/modification 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 43–546（504 aa）	Not recorded	FAD FLAVIN-ADENINE DINUCLEOTIDE × 1	Experimental method not declared X-ray crystallization conditions VAPOR DIFFUSION；293 K；7% PEG 8000, 100mM MnSO4, 100mM cacodylic acid pH 5.2	Resolution not provided

22 other PDB entries and 22 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	CHOD_STRS0
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–504； UniProt 43–546

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	3b6d
Deposition date deposition_date	2007-10-29
Structure title title	Crystal Structure of Streptomyces Cholesterol Oxidase H447Q/E361Q mutant (1.2A)
Keywords keywords	;FLAVOENZYME, FLAVIN, OXIDOREDUCTASE, FLAVIN ACTIVATION, CHOLESTEROL OXIDASE, Cholesterol metabolism, FAD, Flavoprotein, Lipid metabolism, Secreted, Steroid metabolism ;; OXIDOREDUCTASE
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	22.92 Å
Radius of gyration Rg (electron density) rg_electron	21.88 Å
Forward intensity I(0) i0	51314200.00
Molecular weight molecular_weight	55023.0 kDa
Excluded volume excluded_volume	68436 Å³
Envelope volume envelope_volume	76736 Å³
Hydration-shell volume shell_volume	28302 Å³
Envelope diameter envelope_diameter	79.5 Å
Shell Rg shell_rg	29.63 Å
Envelope Rg envelope_rg	22.07 Å
Shape Rg shape_rg	21.88 Å
Total Rg total_rg	22.71 Å
Total atoms total_atoms	7589
Residues n_residues	498
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	76.1 Å
Rg (real space) rg_real	22.80 Å
Rg uncertainty (real space) rg_real_error	0.45 Å
I(0) (real space) i0_real	5.1310e+07
I(0) uncertainty (real space) i0_real_error	7.3640e+05
Rg (reciprocal space) rg_reciprocal	22.83 Å
I(0) (reciprocal space) i0_reciprocal	51320000.0000
Solution quality estimate total_estimate	0.7988
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	29.3 Å
Skewness Skewness skewness	0.219
Kurtosis Kurtosis kurtosis	-0.306
Angular range angular_range	— – 0.3450 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	13190000.0000
Real-space data points n_real_points	66
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.794; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.000

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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	Cholesterol oxidase
Molecular weight formula_weight	54958.7 kDa
EC 编号 ec_number	1.1.3.6
Mutation mutation	H447Q/E361Q
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	9332

DNGGYVPAVVIGTGYGAAVSALRLGEAGVQTLMLEMGQLWNQPGPDGNIFCGMLNPDKRSSWFKNRTEAPLGSFLWLDVVNRNIDPYAGVLDRVNYDQMSVYVGRGVGGGSLVNGGMAVEPKRSYFEEILPRVDSSEMYDRYFPRANSMLRVNHIDTKWFEDTEWYKFARVSREQAGKAGLGTVFVPNVYDFGYMQREAAGEVPKSALATEVIYGNNHGKQSLDKTYLAAALGTGKVTIQTLHQVKTIRQTKDGGYALTVEQKDTDGKLLATKEISCRYLFLGAGSLGSTELLVRARDTGTLPNLNSEVGAGWGPNGNIMTARANHMWNPTGAHQSSIPALGIDAWDNSDSSVFAQIAPMPAGLETWVSLYLAITKNPQRGTFVYDAATDRAKLNWTRDQNAPAVNAAKALFDRINKANGTIYRYDLFGTQLKAFADDFCYQPLGGCVLGKATDDYGRVAGYKNLYVTDGSLIPGSVGVNPFVTITALAERNVERIIKQDVTAS

来源 Source

来源生物 organism	Streptomyces sp.
NCBI Class编号 ncbi_taxonomy_id	74576
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 non-polymer

Description description	SULFATE ION
Molecular weight formula_weight	96.1 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 3 Entity 3 non-polymer

Description description	FLAVIN-N7 PROTONATED-ADENINE DINUCLEOTIDE
Molecular weight formula_weight	786.6 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	560

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7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_id	d3b6da1
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.3 — FAD/NAD(P)-binding domain
Superfamily Superfamily superfamily	c.3.1 — FAD/NAD(P)-binding domain
Family Family family	c.3.1.2 — FAD-linked reductases, N-terminal domain

Domain ID domain_id	d3b6da2
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.16 — FAD-linked reductases, C-terminal domain
Superfamily Superfamily superfamily	d.16.1 — FAD-linked reductases, C-terminal domain
Family Family family	d.16.1.1 — GMC oxidoreductases

CATH v4.4 (2 domains)

Domain ID domain_id	3b6dA01
Class class	3 — Alpha Beta
Architecture architecture	50 — 3-Layer(bba) Sandwich
Topology topology	50 — FAD/NAD(P)-binding domain
Homologous superfamily homologous superfamily	60 — FAD/NAD(P)-binding domain

Domain ID domain_id	3b6dA02
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	410 — Cholesterol Oxidase; domain 2
Homologous superfamily homologous superfamily	10 — Cholesterol Oxidase; domain 2

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8. Citations (1)

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Unit-cell length a length_a	51.300 Å
Unit-cell length b length_b	73.140 Å
Unit-cell length c length_c	63.140 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	105.05 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	2

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

Resolution resolution	1.200 Å
Low-resolution limit resolution_low	38.030 Å
R factor r_factor	0.1321
R_work r_work	0.1321
R_free r_free	0.1720

fit	/app/data/saxs_computation/b6/3b6d/3b6d.fit
pddf	/app/data/pr_computation/b6/3b6d/3b6d.pr.out
profile	/app/data/saxs_computation/b6/3b6d/3b6d.dat

Crystal Structure of Streptomyces Cholesterol Oxidase H447Q/E361Q mutant (1.2A)

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

Cholesterol oxidase

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