SAXSdb — 4mvl

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

Neutrophil gelatinase-associated lipocalin

Homo sapiens

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 2	Beta-amyloid protein 40 × 1 （P05067） water × 1	Consistent with protein count
2	Protein heterocomplex	Heteromer	Protein 2	Beta-amyloid protein 40 × 1 （P05067） water × 1	Consistent with protein count
3	Protein heterocomplex	Heteromer	Protein 2	Beta-amyloid protein 40 × 1 （P05067） water × 2	Consistent with protein count
4	Protein heterocomplex	Heteromer	Protein 2	Beta-amyloid protein 40 × 1 （P05067） water × 2	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	NGAL_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–178； UniProt 21–198 Author chain B； PDBConstruct 1–178； UniProt 21–198 Author chain C； PDBConstruct 1–178； UniProt 21–198 Author chain D； PDBConstruct 1–178； UniProt 21–198

Beta-amyloid protein 40

OrganismNot specified

UniProt P05067

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 2	Neutrophil gelatinase-associated lipocalin × 1 （P80188） water × 1	Consistent with protein count
2	Protein heterocomplex	Heteromer	Protein 2	Neutrophil gelatinase-associated lipocalin × 1 （P80188） water × 1	Consistent with protein count
3	Protein heterocomplex	Heteromer	Protein 2	Neutrophil gelatinase-associated lipocalin × 1 （P80188） water × 2	Consistent with protein count
4	Protein heterocomplex	Heteromer	Protein 2	Neutrophil gelatinase-associated lipocalin × 1 （P80188） water × 2	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	A4_HUMAN
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain E； PDBConstruct 1–40； UniProt 672–711 Author chain F； PDBConstruct 1–40； UniProt 672–711 Author chain G； PDBConstruct 1–40； UniProt 672–711 Author chain H； PDBConstruct 1–40； UniProt 672–711

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	4mvl
Deposition date deposition_date	2013-09-24
Structure title title	Crystal structure of an engineered lipocalin (Anticalin H1GA) in complex with the Alzheimer amyloid peptide Abeta1-40
Keywords keywords	beta-barrel, engineered lipocalin, binding protein, PROTEIN BINDING-PROTEIN FIBRIL complex; PROTEIN BINDING/PROTEIN FIBRIL
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.

4mvl__assembly_1__model_1

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

Download this curve (.dat)

4mvl__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

4mvl__assembly_1__model_1 | P(r) · Pending

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

Rg（Guinier）	17.26 Å
Rg (electron density)	15.75 Å
Total Rg	17.11 Å
Atom count	1478
Residues	184
Excluded volume	26415 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`4mvl__assembly_1__model_1`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
2	1	`4mvl__assembly_2__model_1`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
3	1	`4mvl__assembly_3__model_1`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
4	1	`4mvl__assembly_4__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 (3)

Entity 1 Entity 1 polymer

Description description	Neutrophil gelatinase-associated lipocalin
Molecular weight formula_weight	21449.2 kDa
Mutation mutation	Q28H,L36A,A40V,I41L,Q49L,L70G,R72D,K73D,D77L,W79K,C87S,N96R,Y100E,L103G,Y106W,K125E,S127A,Y132T,K134N
Source method src_method	man
Copy count entity_count	4

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B,C,D
Atom count atom_count	5993

QDSTSDLIPAPPLSKVPLQQNFQDNQFHGKWYVVGAAGNVLLREDKDPLKMYATIYELKEDKSYNVTSVGFDDKKCLYKIRTFVPGSQPGEFTLGRIKSEPGGTSWLVRVVSTNYNQHAMVFFKEVAQNRETFNITLYGRTKELTSELKENFIRFSKSLGLPENHIVFPVPIDQCIDGSAWSHPQFEK

Source Source

Source organism organism	Homo sapiens
Common name common_name	human
NCBI taxonomy ID ncbi_taxonomy_id	9606
Host organism host_organism	Escherichia coli

Entity 2 Entity 2 polymer

Description description	Beta-amyloid protein 40
Molecular weight formula_weight	4335.9 kDa
Source method src_method	syn
Copy count entity_count	4

Polymer Polymer

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

DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV

Entity 3 Entity 3 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	129

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6. Fold Classification (SCOP + CATH) 4 domains

CATH v4.4 (4 domains)

Domain ID domain_id	4mvlA00
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	128 — Lipocalin
Homologous superfamily homologous superfamily	20 — Calycin beta-barrel core domain

Domain ID domain_id	4mvlB00
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	128 — Lipocalin
Homologous superfamily homologous superfamily	20 — Calycin beta-barrel core domain

Domain ID domain_id	4mvlC00
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	128 — Lipocalin
Homologous superfamily homologous superfamily	20 — Calycin beta-barrel core domain

Domain ID domain_id	4mvlD00
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	128 — Lipocalin
Homologous superfamily homologous superfamily	20 — Calycin beta-barrel core domain

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Unit-cell length a length_a	79.300 Å
Unit-cell length b length_b	79.180 Å
Unit-cell length c length_c	142.590 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	16

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

Resolution resolution	2.300 Å
Low-resolution limit resolution_low	71.295 Å
R factor r_factor	0.2190
R_work r_work	0.2190
R_free r_free	0.2794

Crystal structure of an engineered lipocalin (Anticalin H1GA) in complex with the Alzheimer amyloid peptide Abeta1-40

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

Neutrophil gelatinase-associated lipocalin

State in the Current Structure

Other States of the Same Protein in the Database

Beta-amyloid protein 40

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

4mvl__assembly_1__model_1

4mvl__assembly_1__model_1 | I(q)

4mvl__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 (3)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 polymer

Polymer Polymer

Entity 3 Entity 3 water

6. Fold Classification (SCOP + CATH) 4 domains

CATH v4.4 (4 domains)

7. Citations (1)

Crystal structure of an engineered lipocalin (Anticalin H1GA) in complex with the Alzheimer amyloid peptide Abeta1-40

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

Neutrophil gelatinase-associated lipocalin

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

Beta-amyloid protein 40

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

4mvl__assembly_1__model_1

4mvl__assembly_1__model_1 | I(q)

4mvl__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 (3)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 polymer

Polymer Polymer

Entity 3 Entity 3 water

6. Fold Classification (SCOP + CATH) 4 domains

CATH v4.4 (4 domains)

7. Citations (1)