SAXSdb — 4u3s

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

Cellulosomal scaffoldin adaptor protein B

Acetivibrio cellulolyticus

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 2	Cellulosomal scaffoldin × 1 （Q9RPL0） 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID × 3 CALCIUM ION × 2 water × 2	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	Q7WYN3_9FIRM
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 2–168； UniProt 407–573

Cellulosomal scaffoldin

Acetivibrio cellulolyticus

UniProt Q9RPL0

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 2	Cellulosomal scaffoldin adaptor protein B × 1 （Q7WYN3） 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID × 3 CALCIUM ION × 2 water × 2	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	Q9RPL0_9FIRM
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain B； PDBConstruct 24–184； UniProt 1755–1915

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	4u3s
Deposition date deposition_date	2014-07-22
Structure title title	Crystal structure of Coh3ScaB-XDoc_M1ScaA complex: A N-terminal interface mutant of type II Cohesin-X-Dockerin complex from Acetivibrio cellulolyticus
Keywords keywords	cellulosome, cohesin, dockerin, type II cohesin-dockerin, Coh-XDoc, protein-protein interaction, protein binding; PROTEIN BINDING
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.

4u3s__assembly_1__model_1

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

Download this curve (.dat)

4u3s__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

4u3s__assembly_1__model_1 | P(r) · Pending

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

Rg（Guinier）	22.88 Å
Rg (electron density)	22.10 Å
Total Rg	22.87 Å
Atom count	2480
Residues	323
Excluded volume	44423 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`4u3s__assembly_1__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	Cellulosomal scaffoldin adaptor protein B
Molecular weight formula_weight	18318.6 kDa
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	2843

MESYITMNFDKNTAEVGQIIKATVKINKITNFSGYQVNIKYDPTVLQAVNPKTGVAYTNSSLPTSGELLVNEDYGPIVQGVHKISEGILNLSRSYTALDVYRASESPEETGTVAVVGFKALQKKATTVVFEHSVTMPNGIIGTTLFNWYGNRITSGYSVIQPGEINSE

Source Source

Source organism organism	Acetivibrio cellulolyticus
NCBI taxonomy ID ncbi_taxonomy_id	35830
Host organism host_organism	Escherichia coli BL21

Entity 2 Entity 2 polymer

Description description	Cellulosomal scaffoldin
Molecular weight formula_weight	19433.7 kDa
Mutation mutation	N145G
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	B

MGSSHHHHHHSSGLVPRGSHMASGIVSEGTTVSGYINPDFVTTSTTAPIVKAGFTVEIVGTTKSAVTDSNGYFEIKDVAAGTYTVKITKANYLTREIANVSVTADKELSTSASPILMWAGDMAIGGTQDGAINLEDILEICKAFGTSSTDAKYQVGLDLNRDGAISLEDVMIVAKHFNKVSSDY

Source Source

Source organism organism	Acetivibrio cellulolyticus
NCBI taxonomy ID ncbi_taxonomy_id	35830
Host organism host_organism	Escherichia coli BL21

Entity 3 Entity 3 non-polymer

Description description	2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID
Molecular weight formula_weight	207.3 kDa
Source method src_method	syn
Copy count entity_count	3

Entity 4 Entity 4 non-polymer

Description description	CALCIUM ION
Molecular weight formula_weight	40.1 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	341

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6. Fold Classification (SCOP + CATH) 6 domains

SCOP 2.08 (3 domains)

Domain ID domain_id	d4u3sa_
Class class	b — All beta proteins
Fold Fold fold	b.2 — Common fold of diphtheria toxin/transcription factors/cytochrome f
Superfamily Superfamily superfamily	b.2.2 — Carbohydrate-binding domain
Family Family family	b.2.2.2 — Cellulose-binding domain family III

Domain ID domain_id	d4u3sb1
Class class	b — All beta proteins
Fold Fold fold	b.3 — Prealbumin-like
Superfamily Superfamily superfamily	b.3.2 — Carboxypeptidase regulatory domain-like
Family Family family	b.3.2.0 — automated matches

Domain ID domain_id	d4u3sb2
Class class	a — All alpha proteins
Fold Fold fold	a.139 — Type I dockerin domain
Superfamily Superfamily superfamily	a.139.1 — Type I dockerin domain
Family Family family	a.139.1.0 — automated matches

CATH v4.4 (3 domains)

Domain ID domain_id	4u3sA00
Class class	2 — Mainly Beta
Architecture architecture	60 — Sandwich
Topology topology	40 — Immunoglobulin-like
Homologous superfamily homologous superfamily	680 —

Domain ID domain_id	4u3sB01
Class class	2 — Mainly Beta
Architecture architecture	60 — Sandwich
Topology topology	40 — Immunoglobulin-like
Homologous superfamily homologous superfamily	1120 — Carboxypeptidase-like, regulatory domain

Domain ID domain_id	4u3sB02
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	1330 — Type 1 dockerin domain
Homologous superfamily homologous superfamily	10 — Dockerin domain

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Unit-cell length a length_a	72.320 Å
Unit-cell length b length_b	72.320 Å
Unit-cell length c length_c	231.490 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	120.00 °
Molecules per unit cell Z z_pdb	12

Space group space_group	P 65 2 2
Space-group number int_tables_number	179
Crystal system crystal_system	—

Resolution resolution	1.640 Å
Low-resolution limit resolution_low	62.630 Å
R factor r_factor	0.1726
R_work r_work	0.1709
R_free r_free	0.2061

Crystal structure of Coh3ScaB-XDoc_M1ScaA complex: A N-terminal interface mutant of type II Cohesin-X-Dockerin complex from Acetivibrio cellulolyticus

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

Cellulosomal scaffoldin adaptor protein B

State in the Current Structure

Other States of the Same Protein in the Database

Cellulosomal scaffoldin

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

4u3s__assembly_1__model_1

4u3s__assembly_1__model_1 | I(q)

4u3s__assembly_1__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 polymer

Polymer Polymer

Source Source

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 water

6. Fold Classification (SCOP + CATH) 6 domains

SCOP 2.08 (3 domains)

CATH v4.4 (3 domains)

7. Citations (1)

Crystal structure of Coh3ScaB-XDoc_M1ScaA complex: A N-terminal interface mutant of type II Cohesin-X-Dockerin complex from Acetivibrio cellulolyticus

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

Cellulosomal scaffoldin adaptor protein B

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

Cellulosomal scaffoldin

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

4u3s__assembly_1__model_1

4u3s__assembly_1__model_1 | I(q)

4u3s__assembly_1__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 polymer

Polymer Polymer

Source Source

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 water

6. Fold Classification (SCOP + CATH) 6 domains

SCOP 2.08 (3 domains)

CATH v4.4 (3 domains)

7. Citations (1)