7skm

Complex between S. aureus aureolysin and wt IMPI.

Method: X-RAY DIFFRACTION

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

Zinc metalloproteinase aureolysin

OrganismNot specified

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 3	IMPI alpha × 1 （P82176） IMPI alpha × 1 （P82176） CALCIUM ION × 3 ZINC ION × 1 1,2-ETHANEDIOL × 2 water × 3	Consistent with protein count
2	Protein heterocomplex	Heteromer	Protein 3	IMPI alpha × 1 （P82176） IMPI alpha × 1 （P82176） CALCIUM ION × 3 ZINC ION × 1 1,2-ETHANEDIOL × 1 DI(HYDROXYETHYL)ETHER × 2 water × 3	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	AURE_STAAU
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–301； UniProt 209–509 Author chain C； PDBConstruct 1–301； UniProt 209–509

IMPI alpha

Galleria mellonella

UniProt P82176

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 3	Zinc metalloproteinase aureolysin × 1 （P81177） CALCIUM ION × 3 ZINC ION × 1 1,2-ETHANEDIOL × 2 water × 3	Consistent with protein count
2	Protein heterocomplex	Heteromer	Protein 3	Zinc metalloproteinase aureolysin × 1 （P81177） CALCIUM ION × 3 ZINC ION × 1 1,2-ETHANEDIOL × 1 DI(HYDROXYETHYL)ETHER × 2 water × 3	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	IMPI_GALME
Isoform	—
PDB entities	2, 3
Chains and sequence ranges	Author chain B； PDBConstruct 3–40； UniProt 19–56 Author chain D； PDBConstruct 3–40； UniProt 19–56 Author chain E； PDBConstruct 1–32； UniProt 57–88 Author chain F； PDBConstruct 1–32； UniProt 57–88

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	7skm
Deposition date deposition_date	2021-10-21
Structure title title	Complex between S. aureus aureolysin and wt IMPI.
Keywords keywords	Metallopeptidase, inhibitor complex, point mutant, HYDROLASE; HYDROLASE
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.

7skm__assembly_1__model_1

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

Download this curve (.dat)

7skm__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

7skm__assembly_1__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)	20.87 Å
Total Rg	21.73 Å
Atom count	2875
Residues	368
Excluded volume	49972 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`7skm__assembly_1__model_1`	trimeric （3）	Success	4.1.3-1-20251215 (887e7ef)	View Download
2	1	`7skm__assembly_2__model_1`	trimeric （3）	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 (8)

Entity 1 Entity 1 polymer

Description description	Zinc metalloproteinase aureolysin
Molecular weight formula_weight	33336.7 kDa
EC 编号 ec_number	3.4.24.29
Source method src_method	nat
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,C
Atom count atom_count	6467

AAATGTGKGVLGDTKDININSIDGGFSLEDLTHQGKLSAYNFNDQTGQATLITNEDENFVKDDQRAGVDANYYAKQTYDYYKNTFGRESYDNHGSPIVSLTHVNHYGGQDNRNNAAWIGDKMIYGDGDGRTFTNLSGANDVVAHELTHGVTQETANLEYKDQSGALNESFSDVFGYFVDDEDFLMGEDVYTPGKEGDALRSMSNPEQFGQPSHMKDYVYTEKDNGGVHTNSGIPNKAAYNVIQAIGKSKSEQIYYRALTEYLTSNSNFKDCKDALYQAAKDLYDEQTAEQVYEAWNEVGVE

Entity 2 Entity 2 polymer

Description description	IMPI alpha
Molecular weight formula_weight	4286.9 kDa
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	B,D

GMSIVLICNGGHEYYECGGACDNVCADLHIQNKTNCPIIN

Source Source

Source organism organism	Galleria mellonella
Common name common_name	Greater wax moth
NCBI taxonomy ID ncbi_taxonomy_id	7137
Host organism host_organism	Escherichia coli BL21(DE3)

Entity 3 Entity 3 polymer

Description description	IMPI alpha
Molecular weight formula_weight	3684.3 kDa
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

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

IRCNDKCYCEDGYARDVNGKCIPIKDCPKIRS

Source Source

Source organism organism	Galleria mellonella
Common name common_name	Greater wax moth
NCBI taxonomy ID ncbi_taxonomy_id	7137
Host organism host_organism	Escherichia coli BL21(DE3)

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	6

Entity 5 Entity 5 non-polymer

Description description	ZINC ION
Molecular weight formula_weight	65.4 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 6 Entity 6 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 7 Entity 7 non-polymer

Description description	DI(HYDROXYETHYL)ETHER
Molecular weight formula_weight	106.1 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 8 Entity 8 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	709

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Unit-cell length a length_a	68.140 Å
Unit-cell length b length_b	68.140 Å
Unit-cell length c length_c	166.180 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	8

Space group space_group	P 41
Space-group number int_tables_number	76
Crystal system crystal_system	—

Resolution resolution	1.850 Å
Low-resolution limit resolution_low	52.689 Å
R factor r_factor	—
R_work r_work	0.1644
R_free r_free	0.2186

Complex between S. aureus aureolysin and wt IMPI.

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

Zinc metalloproteinase aureolysin

State in the Current Structure

Other States of the Same Protein in the Database

IMPI alpha

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

7skm__assembly_1__model_1

7skm__assembly_1__model_1 | I(q)

7skm__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 (8)

Entity 1 Entity 1 polymer

Polymer Polymer

Entity 2 Entity 2 polymer

Polymer Polymer

Source Source

Entity 3 Entity 3 polymer

Polymer Polymer

Source Source

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 non-polymer

Entity 6 Entity 6 non-polymer

Entity 7 Entity 7 non-polymer

Entity 8 Entity 8 water

7. Citations (2)

Complex between S. aureus aureolysin and wt IMPI.

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

Zinc metalloproteinase aureolysin

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

IMPI alpha

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

7skm__assembly_1__model_1

7skm__assembly_1__model_1 | I(q)

7skm__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 (8)

Entity 1 Entity 1 polymer

Polymer Polymer

Entity 2 Entity 2 polymer

Polymer Polymer

Source Source

Entity 3 Entity 3 polymer

Polymer Polymer

Source Source

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 non-polymer

Entity 6 Entity 6 non-polymer

Entity 7 Entity 7 non-polymer

Entity 8 Entity 8 water

7. Citations (2)