SAXSdb — 3slt

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

Serine protease espP

Escherichia coli

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 999–1300	Fragment：Autotransporter protein espP translocator (UNP residues 999-1300) Mutation：N1023S	C8E (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE × 10	X-RAY DIFFRACTION X-ray crystallization conditions：pH 7.5；294 K；20% w/v PEG8000, 20% v/v glycerol, sodium acetate, pH 7.5, HANGING DROP, temperature 294K	Resolution 2.46 Å R-free 0.266

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 3SLT	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
2QOM The crystal structure of the E.coli EspP autotransporter Beta-domain. Deposited 2007-07-20	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 1024–1300（277 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；294 K；0.34M Cymal-1, 1% octylglucoside, 33% PEG 1000, 0.2M NaCl, 0.1M Na cacodylate pH 6.4, 5% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 294K	Resolution 2.66 Å R-free 0.284
2QOM The crystal structure of the E.coli EspP autotransporter Beta-domain. Deposited 2007-07-20	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 1024–1300（277 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；294 K；0.34M Cymal-1, 1% octylglucoside, 33% PEG 1000, 0.2M NaCl, 0.1M Na cacodylate pH 6.4, 5% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 294K	Resolution 2.66 Å R-free 0.284
3SLJ Pre-cleavage Structure of the Autotransporter EspP - N1023A mutant Deposited 2011-06-24	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 999–1300（302 aa） Fragment：Autotransporter protein espP translocator (UNP residues 999-1300)	Mutation：N1023A	C8E (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE × 9	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；294 K；20% w/v PEG8000, 20% v/v glycerol, pH 7.5, HANGING DROP, temperature 294K	Resolution 2.48 Å R-free 0.237
3SLO Pre-cleavage Structure of the Autotransporter EspP - N1023D mutant Deposited 2011-06-24	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 999–1300（302 aa） Fragment：Autotransporter protein espP translocator (UNP residues 999-1300)	Mutation：N1023D	C8E (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE × 8	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；294 K；18% w/v PEG8000, 20% v/v glycerol, 25 mM sodium acetate, pH 7.5, HANGING DROP, temperature 294K	Resolution 2.52 Å R-free 0.258
3SZE Crystal structure of the passenger domain of the E. coli autotransporter EspP Deposited 2011-07-18	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 56–1023（968 aa） Fragment：passenger domain, UNP residues 56-1023	Mutation：S263A	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；18 22% PEG 4000, 0.1M HEPES, 0.05 0.15M tri-lithium citrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.50 Å R-free 0.231
7TSZ BamABCDE bound to substrate EspP class 1 Deposited 2022-01-31	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 6 PDB declaration: hexameric	Chain P 948–1298（351 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 4.50 Å
7TT0 BamABCDE bound to substrate EspP class 2 Deposited 2022-01-31	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric	Chain P 948–1298（351 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 4.30 Å
7TT1 BamABCDE bound to substrate EspP class 4 Deposited 2022-01-31	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 6 PDB declaration: hexameric	Chain P 948–1298（351 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 4.30 Å
7TT2 BamABCDE bound to substrate EspP class 3 Deposited 2022-01-31	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 6 PDB declaration: hexameric	Chain P 948–1298（351 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 4.20 Å
7TT3 BamABCDE bound to substrate EspP class 5 Deposited 2022-01-31	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 6 PDB declaration: hexameric	Chain P 948–1298（351 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 4.30 Å
7TT4 BamABCDE bound to substrate EspP class 6 Deposited 2022-01-31	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 6 PDB declaration: hexameric	Chain P 948–1298（351 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 4.20 Å
7TT5 BamABCDE bound to substrate EspP in the open-sheet EspP state Deposited 2022-01-31	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric	Chain P 948–1298（351 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 4.30 Å
7TT6 BamABCDE bound to substrate EspP in the intermediate-open EspP state Deposited 2022-01-31	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric	Chain P 948–1298（351 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 4.30 Å
7TT7 BamABCDE bound to substrate EspP in the barrelized EspP/continuous open BamA state Deposited 2022-01-31	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric	Chain P 948–1298（351 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 4.80 Å
7TTC BamABCDE bound to substrate EspP Deposited 2022-02-01	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain P 1024–1298（275 aa）	Not recorded	K33 2,3-dideoxy-6-O-[2-deoxy-4-O-phosphono-2-(tetradecanoylamino)-alpha-L-gulopyranosyl]-1-O-phosphono-beta-D-threo-hexopyranose × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.60 Å
7YE4 BAM-EspP complex structure with BamA-G431C and G781C/EspP-N1293C and A1043C mutations in nanodisc Deposited 2022-07-05	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain P 948–1300（353 aa）	Mutation：N1293C, A1043C	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7.8；20 mM Tris-HCl, pH 7.8, 150 mM NaCl cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.40 Å
7YE6 BAM-EspP complex structure with BamA-N427C/EspP-R1297C mutations in nanodisc Deposited 2022-07-05	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain P 948–1300（353 aa）	Mutation：R1297C	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7.8；20 mM Tris-HCl, pH 7.8, 150 mM NaCl cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.40 Å
8BNZ BAM-EspP complex structure with BamA-G431C/EspP-N1293C mutations in nanodisc Deposited 2022-11-14	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain P 948–1300（353 aa）	Mutation：N1293C	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7.8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.50 Å
8BO2 BAM-EspP complex structure with BamA-S425C/EspP-S1299C mutations in nanodisc Deposited 2022-11-14	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain P 948–1300（353 aa）	Mutation：S1299C	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7.8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.10 Å
8Q0G Release Complex: BAM bound EspP and Compact SurA Deposited 2023-07-28	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 7 PDB declaration: heptameric	Chain P 948–1300（353 aa）	Mutation：S1299C	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 4.30 Å
8QP5 Release Complex: BAM bound EspP (SurA released) Deposited 2023-09-29	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 6 PDB declaration: hexameric	Chain P 948–1300（353 aa）	Mutation：S1299C	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 4.40 Å
8QPU Release Complex: BAM bound EspP and Extended SurA Deposited 2023-10-03	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 7 PDB declaration: heptameric	Chain P 948–1300（353 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 5.20 Å
8SPR The cryo-EM structure of the EcBAM/EspP(beta1-12) complex Deposited 2023-05-03	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain F 949–1300（352 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.90 Å
8SQA The cryo-EM structure of the EcBAM/EspP(beta8-12) complex Deposited 2023-05-04	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 6 PDB declaration: hexameric	Chain F 1195–1300（106 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 4.20 Å

23 other PDB entries and 24 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	ESPP_ECO57
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 12–313； UniProt 999–1300

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	3slt
Deposition date deposition_date	2011-06-25
Structure title title	Pre-cleavage Structure of the Autotransporter EspP - N1023S Mutant
Keywords keywords	beta barrel, membrane protein, asparagine cyclization, autocleavage, PROTEIN TRANSPORT; PROTEIN TRANSPORT
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	22.14 Å
Radius of gyration Rg (electron density) rg_electron	21.57 Å
Forward intensity I(0) i0	20181500.00
Molecular weight molecular_weight	34545.0 kDa
Excluded volume excluded_volume	43396 Å³
Envelope volume envelope_volume	52477 Å³
Hydration-shell volume shell_volume	21225 Å³
Envelope diameter envelope_diameter	83.7 Å
Shell Rg shell_rg	27.69 Å
Envelope Rg envelope_rg	22.10 Å
Shape Rg shape_rg	21.58 Å
Total Rg total_rg	22.38 Å
Total atoms total_atoms	2442
Residues n_residues	305
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	81.4 Å
Rg (real space) rg_real	22.38 Å
Rg uncertainty (real space) rg_real_error	0.70 Å
I(0) (real space) i0_real	2.0180e+07
I(0) uncertainty (real space) i0_real_error	3.0700e+05
Rg (reciprocal space) rg_reciprocal	22.33 Å
I(0) (reciprocal space) i0_reciprocal	20180000.0000
Solution quality estimate total_estimate	0.6173
Solution quality rating solution_quality	REASONABLE a REASONABLE solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	23.1 Å
Skewness Skewness skewness	0.650
Kurtosis Kurtosis kurtosis	0.071
Angular range angular_range	— – 0.3600 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	4920000.0000
Real-space data points n_real_points	68
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.531; Stabil: 1.000; Sysdev: 0.262; Positv: 1.000; Valcen: 0.651; Smooth: 0.992

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

Entity 1 Entity 1 polymer

Description description	Serine protease espP
Molecular weight formula_weight	34434.0 kDa
Mutation mutation	N1023S
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	2499

APKDNHHHHHHANKEATRNAAALFSVDYKAFLNEVSNLNKRMGDLRDINGEAGAWARIMSGTGSASGGFSDNYTHVQVGVDKKHELDGLDLFTGFTVTHTDSSASADVFSGKTKSVGAGLYASAMFDSGAYIDLIGKYVHHDNEYTATFAGLGTRDYSTHSWYAGAEAGYRYHVTEDAWIEPQAELVYGSVSGKQFAWKDQGMHLSMKDKDYNPLIGRTGVDVGKSFSGKDWKVTARAGLGYQFDLLANGETVLRDASGEKRIKGEKDSRMLMSVGLNAEIRDNVRFGLEFEKSAFGKYNVDNAVNANFRYSF

来源 Source

来源生物 organism	Escherichia coli
NCBI Class编号 ncbi_taxonomy_id	83334
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 non-polymer

Description description	(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE
Molecular weight formula_weight	306.4 kDa
Source method src_method	syn
Copy count entity_count	10

Entity 3 Entity 3 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	45

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7. Fold Classification (SCOP + CATH) 1 domains

CATH v4.4 (1 domains)

Domain ID domain_id	3sltA00
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	128 — Lipocalin
Homologous superfamily homologous superfamily	130 — Autotransporter beta-domain

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8. Citations (1)

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Unit-cell length a length_a	31.162 Å
Unit-cell length b length_b	122.372 Å
Unit-cell length c length_c	122.098 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	4

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

Resolution resolution	2.460 Å
Low-resolution limit resolution_low	30.590 Å
R factor r_factor	0.2150
R_work r_work	0.2122
R_free r_free	0.2661

fit	/app/data/saxs_computation/sl/3slt/3slt.fit
pddf	/app/data/pr_computation/sl/3slt/3slt.pr.out
profile	/app/data/saxs_computation/sl/3slt/3slt.dat

Pre-cleavage Structure of the Autotransporter EspP - N1023S Mutant

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

Serine protease espP

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