SAXSdb — 3oti

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

CalG3

Micromonospora echinospora

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein monomer	Monomer	Protein 1	THYMIDINE-5'-DIPHOSPHATE × 1 Calicheamicin T0 × 1 CHLORIDE ION × 1 water × 1	Consistent with protein count
2	Protein monomer	Monomer	Protein 1	THYMIDINE-5'-DIPHOSPHATE × 1 Calicheamicin T0 × 1 CHLORIDE ION × 1 water × 1	Consistent with protein count
3	Protein homooligomer	Homooligomer	Protein 2	THYMIDINE-5'-DIPHOSPHATE × 2 Calicheamicin T0 × 2 CHLORIDE ION × 2 water × 2	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	Q8KND7_MICEC
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 24–398； UniProt 2–376 Author chain B； PDBConstruct 24–398； UniProt 2–376

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	3oti
Deposition date deposition_date	2010-09-11
Structure title title	Crystal Structure of CalG3, Calicheamicin Glycostyltransferase, TDP and calicheamicin T0 bound form
Keywords keywords	;Calicheamicin, TDP, Structural Genomics, PSI-2, Protein Structure Initiative, Center for Eukaryotic Structural Genomics, CESG, GT-B fold, Glycosyltransferase, transferase-antibiotic complex, Enzyme Discovery for Natural Product Biosynthesis, NatPro ;; transferase/antibiotic
Experimental Method method	X-RAY DIFFRACTION

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3. Official assembly/model SAXS Official SAXS Profiles

This page reads only the latest assembly calculations. Every curve maps to an explicit PDB entry, official biological assembly and coordinate model.

3oti__assembly_2__model_1

Assembly 2 · Model 1 · CRYSOL 4.1.3-1-20251215 (887e7ef)

Download this curve (.dat)

3oti__assembly_2__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

3oti__assembly_2__model_1 | P(r) · Pending

P(r) will be calculated and displayed separately for the same assembly/model.

Rg（Guinier）	21.69 Å
Rg (electron density)	20.46 Å
Total Rg	21.36 Å
Atom count	2939
Residues	379
Excluded volume	52209 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`3oti__assembly_1__model_1`	monomeric （1）	Success	4.1.3-1-20251215 (887e7ef)	View Download
2	1	`3oti__assembly_2__model_1`	monomeric （1）	Success	4.1.3-1-20251215 (887e7ef)	View Download
3	1	`3oti__assembly_3__model_1`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download

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4. Crystallography and Experiment 4. Crystallography & Experiment

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5. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Description description	CalG3
Molecular weight formula_weight	43012.8 kDa
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	6936

GHHHHHHHHHHSSGHIEGRHMRVLFVSSPGIGHLFPLIQLAWGFRTAGHDVLIAVAEHADRAAAAGLEVVDVAPDYSAVKVFEQVAKDNPRFAETVATRPAIDLEEWGVQIAAVNRPLVDGTMALVDDYRPDLVVYEQGATVGLLAADRAGVPAVQRNQSAWRTRGMHRSIASFLTDLMDKHQVSLPEPVATIESFPPSLLLEAEPEGWFMRWVPYGGGAVLGDRLPPVPARPEVAITMGTIELQAFGIGAVEPIIAAAGEVDADFVLALGDLDISPLGTLPRNVRAVGWTPLHTLLRTCTAVVHHGGGGTVMTAIDAGIPQLLAPDPRDQFQHTAREAVSRRGIGLVSTSDKVDADLLRRLIGDESLRTAAREVREEMVALPTPAETVRRIVERISG

Source Source

Source organism organism	Micromonospora echinospora
Common name common_name	Micromonospora purpurea
NCBI taxonomy ID ncbi_taxonomy_id	1877
Host organism host_organism	Escherichia coli

Entity 2 Entity 2 non-polymer

Description description	THYMIDINE-5'-DIPHOSPHATE
Molecular weight formula_weight	402.2 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 3 Entity 3 non-polymer

Description description	Calicheamicin T0
Molecular weight formula_weight	584.7 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 4 Entity 4 non-polymer

Description description	CHLORIDE ION
Molecular weight formula_weight	35.5 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 5 Entity 5 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	941

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6. Fold Classification (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

Domain ID domain_id	d3otia1
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.87 — UDP-Glycosyltransferase/glycogen phosphorylase
Superfamily Superfamily superfamily	c.87.1 — UDP-Glycosyltransferase/glycogen phosphorylase
Family Family family	c.87.1.13 — UrdGT2-like

Domain ID domain_id	d3otia2
Class class	l — Artifacts
Fold Fold fold	l.1 — Tags
Superfamily Superfamily superfamily	l.1.1 — Tags
Family Family family	l.1.1.1 — Tags

Domain ID domain_id	d3otib1
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.87 — UDP-Glycosyltransferase/glycogen phosphorylase
Superfamily Superfamily superfamily	c.87.1 — UDP-Glycosyltransferase/glycogen phosphorylase
Family Family family	c.87.1.13 — UrdGT2-like

Domain ID domain_id	d3otib2
Class class	l — Artifacts
Fold Fold fold	l.1 — Tags
Superfamily Superfamily superfamily	l.1.1 — Tags
Family Family family	l.1.1.1 — Tags

CATH v4.4 (4 domains)

Domain ID domain_id	3otiA01
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	2000 — Glycogen Phosphorylase B;

Domain ID domain_id	3otiA02
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	2000 — Glycogen Phosphorylase B;

Domain ID domain_id	3otiB01
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	2000 — Glycogen Phosphorylase B;

Domain ID domain_id	3otiB02
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	2000 — Glycogen Phosphorylase B;

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Unit-cell length a length_a	45.567 Å
Unit-cell length b length_b	135.090 Å
Unit-cell length c length_c	62.093 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	95.75 °
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	1.597 Å
Low-resolution limit resolution_low	29.234 Å
R factor r_factor	0.1528
R_work r_work	0.1522
R_free r_free	0.1806

Crystal Structure of CalG3, Calicheamicin Glycostyltransferase, TDP and calicheamicin T0 bound form

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

CalG3

State in the Current Structure

Other States of the Same Protein in the Database

2. Structure Basics 2. Structure Basics

3. Official assembly/model SAXS Official SAXS Profiles

3oti__assembly_2__model_1

3oti__assembly_2__model_1 | I(q)

3oti__assembly_2__model_1 | P(r) · Pending

4. Crystallography and Experiment 4. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

5. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 non-polymer

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 water

6. Fold Classification (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

CATH v4.4 (4 domains)

7. Citations (1)

Crystal Structure of CalG3, Calicheamicin Glycostyltransferase, TDP and calicheamicin T0 bound form

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

CalG3

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

2. Structure Basics 2. Structure Basics

3. Official assembly/model SAXS Official SAXS Profiles

3oti__assembly_2__model_1

3oti__assembly_2__model_1 | I(q)

3oti__assembly_2__model_1 | P(r) · Pending

4. Crystallography and Experiment 4. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

5. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 non-polymer

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 water

6. Fold Classification (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

CATH v4.4 (4 domains)

7. Citations (1)