4hx3

Crystal structure of Streptomyces caespitosus sermetstatin in complex with S. caespitosus snapalysin

Method: X-RAY DIFFRACTION D_max: 144.5 Å Quality: GOOD

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

Extracellular small neutral protease

Streptomyces caespitosus

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 heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count	Chain A； UniProt 2–132 Chain C； UniProt 2–132	Fragment：Mature protease	Neutral proteinase inhibitor ScNPI × 2 （Q9FDS0） ZN ZINC ION × 2 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M HEPES, 0.2 M magnesium chloride, 15.0% (v/v) ethanol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.70 Å R-free 0.242
2	Protein heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count	Chain E； UniProt 2–132 Chain G； UniProt 2–132	Fragment：Mature protease	Neutral proteinase inhibitor ScNPI × 2 （Q9FDS0） ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M HEPES, 0.2 M magnesium chloride, 15.0% (v/v) ethanol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.70 Å R-free 0.242
3	Protein heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count	Chain I； UniProt 2–132 Chain K； UniProt 2–132	Fragment：Mature protease	Neutral proteinase inhibitor ScNPI × 2 （Q9FDS0） ZN ZINC ION × 2 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M HEPES, 0.2 M magnesium chloride, 15.0% (v/v) ethanol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.70 Å R-free 0.242

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 4HX3	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1C7K CRYSTAL STRUCTURE OF THE ZINC PROTEASE Deposited 2000-02-19	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–132（132 aa）	Not recorded	ZN ZINC ION × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions LIQUID DIFFUSION；pH 7；277 K；acetone, pH 7.0, LIQUID DIFFUSION, temperature 277K	Resolution 1.00 Å R-free 0.178
1KUH ZINC PROTEASE FROM STREPTOMYCES CAESPITOSUS Deposited 1996-02-22	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–132（132 aa）	Not recorded	ZN ZINC ION × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.60 Å R-free 0.225

2 other PDB entries and 2 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	SNPA_STRCS
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 4–134； UniProt 2–132 Author chain C； PDBConstruct 4–134； UniProt 2–132 Author chain E； PDBConstruct 4–134； UniProt 2–132 Author chain G； PDBConstruct 4–134； UniProt 2–132 Author chain I； PDBConstruct 4–134； UniProt 2–132 Author chain K； PDBConstruct 4–134； UniProt 2–132

Neutral proteinase inhibitor ScNPI

Streptomyces caespitosus

UniProt Q9FDS0

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 heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count	Chain B； UniProt 29–141 Chain D； UniProt 29–141	Not recorded	Extracellular small neutral protease × 2 （P56406） ZN ZINC ION × 2 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M HEPES, 0.2 M magnesium chloride, 15.0% (v/v) ethanol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.70 Å R-free 0.242
2	Protein heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count	Chain F； UniProt 29–141 Chain H； UniProt 29–141	Not recorded	Extracellular small neutral protease × 2 （P56406） ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M HEPES, 0.2 M magnesium chloride, 15.0% (v/v) ethanol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.70 Å R-free 0.242
3	Protein heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count	Chain J； UniProt 29–141 Chain L； UniProt 29–141	Not recorded	Extracellular small neutral protease × 2 （P56406） ZN ZINC ION × 2 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M HEPES, 0.2 M magnesium chloride, 15.0% (v/v) ethanol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.70 Å R-free 0.242

Other States of the Same Protein in the Database

Other PDB	Difference from Current Entry 4HX3	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
4HWX Crystal structure of Streptomyces caespitosus sermetstatin Deposited 2012-11-09	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 29–141（113 aa）	Not recorded	GOL GLYCEROL × 2 ACT ACETATE ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；0.1 M sodium citrate dihydrate, 0.2 M ammonium acetate, 10% (w/v) PEG3350, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 1.90 Å R-free 0.214
4HWX Crystal structure of Streptomyces caespitosus sermetstatin Deposited 2012-11-09	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 29–141（113 aa）	Not recorded	GOL GLYCEROL × 2 ACT ACETATE ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；0.1 M sodium citrate dihydrate, 0.2 M ammonium acetate, 10% (w/v) PEG3350, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 1.90 Å R-free 0.214
4HX2 Crystal structure of Streptomyces caespitosus sermetstatin in complex with Bacillus licheniformis subtilisin Deposited 2012-11-09	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain B 29–141（113 aa） Chain D 29–141（113 aa）	Not recorded	CA CALCIUM ION × 4 ZN ZINC ION × 2 CL CHLORIDE ION × 1 1AX (2R,2'R)-3,3'-oxydipropane-1,2-diol × 1 PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 2 IPA ISOPROPYL ALCOHOL × 3 K POTASSIUM ION × 2 CAC CACODYLATE ION × 1 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；0.1 M cacodylate, 0.2 M zinc acetate dihydrate, 10% (v/v) 2-propanol, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 2.25 Å R-free 0.217

2 other PDB entries and 3 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	Q9FDS0_STRCS
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain B； PDBConstruct 2–114； UniProt 29–141 Author chain D； PDBConstruct 2–114； UniProt 29–141 Author chain F； PDBConstruct 2–114； UniProt 29–141 Author chain H； PDBConstruct 2–114； UniProt 29–141 Author chain J； PDBConstruct 2–114； UniProt 29–141 Author chain L； PDBConstruct 2–114； UniProt 29–141

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.

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

Download Download SAXS (.dat) P(r) (.pr.out) CIF

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	4hx3
Deposition date deposition_date	2012-11-09
Structure title title	Crystal structure of Streptomyces caespitosus sermetstatin in complex with S. caespitosus snapalysin
Keywords keywords	Streptomyces subtilisin inhibitor fold, Hydrolase-Hydrolase Inhibitor complex; Hydrolase/Hydrolase Inhibitor
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	42.35 Å
Radius of gyration Rg (electron density) rg_electron	42.44 Å
Forward intensity I(0) i0	431212000.00
Molecular weight molecular_weight	157600.0 kDa
Excluded volume excluded_volume	191640 Å³
Envelope volume envelope_volume	265030 Å³
Hydration-shell volume shell_volume	54084 Å³
Envelope diameter envelope_diameter	149.3 Å
Shell Rg shell_rg	45.37 Å
Envelope Rg envelope_rg	42.09 Å
Shape Rg shape_rg	42.42 Å
Total Rg total_rg	42.63 Å
Total atoms total_atoms	11059
Residues n_residues	1466
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	144.5 Å
Rg (real space) rg_real	42.47 Å
Rg uncertainty (real space) rg_real_error	2.00 Å
I(0) (real space) i0_real	4.3120e+08
I(0) uncertainty (real space) i0_real_error	8.7710e+06
Rg (reciprocal space) rg_reciprocal	42.35 Å
I(0) (reciprocal space) i0_reciprocal	431100000.0000
Solution quality estimate total_estimate	0.8766
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	46.9 Å
Skewness Skewness skewness	0.379
Kurtosis Kurtosis kurtosis	-0.445
Angular range angular_range	— – 0.1850 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	26890000.0000
Real-space data points n_real_points	38
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.866; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.960; Smooth: 0.836

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Description description	Extracellular small neutral protease
Molecular weight formula_weight	14571.6 kDa
EC 编号 ec_number	3.4.24.77
Source method src_method	man
Copy count entity_count	6

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,C,E,G,I,K
Atom count atom_count	11334

GPMVTVTYDPSNAPSFQQEIANAAQIWNSSVRNVQLRAGGNADFSYYEGNDSRGSYAQTDGHGRGYIFLDYQQNQQYDSTRVTAHETGHVLGLPDHYQGPCSELMSGGGPGPSCTNPYPNAQERSRVNALWANG

来源 Source

来源生物 organism	Streptomyces caespitosus
NCBI Class编号 ncbi_taxonomy_id	53502
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 polymer

Description description	Neutral proteinase inhibitor ScNPI
Molecular weight formula_weight	11923.4 kDa
Source method src_method	man
Copy count entity_count	6

Polymer Polymer

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

GSAHGPSAMVFTVIQGSGEPTDTVLRATTLSCAYTAEGTHPAPRAACDALNATDGELNRLLAAPDPSLVCPMYFDPVTVTADGVLNGRRVAWKHTFSNTCVMSANLNSNPVYAF

来源 Source

来源生物 organism	Streptomyces caespitosus
NCBI Class编号 ncbi_taxonomy_id	53502
宿主生物 host_organism	Escherichia coli

Entity 3 Entity 3 non-polymer

Description description	ZINC ION
Molecular weight formula_weight	65.4 kDa
Source method src_method	syn
Copy count entity_count	6

Entity 4 Entity 4 non-polymer

Description description	GLYCEROL
Molecular weight formula_weight	92.1 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	275

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7. Fold Classification (SCOP + CATH) 31 domains

SCOP 2.08 (19 domains)

Domain ID domain_id	d4hx3a1
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.92 — Zincin-like
Superfamily Superfamily superfamily	d.92.1 — Metalloproteases ('zincins'), catalytic domain
Family Family family	d.92.1.1 — Zinc protease

Domain ID domain_id	d4hx3a2
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	d4hx3b_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.84 — Subtilisin inhibitor
Superfamily Superfamily superfamily	d.84.1 — Subtilisin inhibitor
Family Family family	d.84.1.0 — automated matches

Domain ID domain_id	d4hx3c1
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.92 — Zincin-like
Superfamily Superfamily superfamily	d.92.1 — Metalloproteases ('zincins'), catalytic domain
Family Family family	d.92.1.1 — Zinc protease

Domain ID domain_id	d4hx3c2
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	d4hx3d_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.84 — Subtilisin inhibitor
Superfamily Superfamily superfamily	d.84.1 — Subtilisin inhibitor
Family Family family	d.84.1.0 — automated matches

Domain ID domain_id	d4hx3e1
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.92 — Zincin-like
Superfamily Superfamily superfamily	d.92.1 — Metalloproteases ('zincins'), catalytic domain
Family Family family	d.92.1.1 — Zinc protease

Domain ID domain_id	d4hx3e2
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	d4hx3f_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.84 — Subtilisin inhibitor
Superfamily Superfamily superfamily	d.84.1 — Subtilisin inhibitor
Family Family family	d.84.1.0 — automated matches

Domain ID domain_id	d4hx3g1
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.92 — Zincin-like
Superfamily Superfamily superfamily	d.92.1 — Metalloproteases ('zincins'), catalytic domain
Family Family family	d.92.1.1 — Zinc protease

Domain ID domain_id	d4hx3g2
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	d4hx3h1
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.84 — Subtilisin inhibitor
Superfamily Superfamily superfamily	d.84.1 — Subtilisin inhibitor
Family Family family	d.84.1.0 — automated matches

Domain ID domain_id	d4hx3h2
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	d4hx3i1
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.92 — Zincin-like
Superfamily Superfamily superfamily	d.92.1 — Metalloproteases ('zincins'), catalytic domain
Family Family family	d.92.1.1 — Zinc protease

Domain ID domain_id	d4hx3i2
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	d4hx3j_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.84 — Subtilisin inhibitor
Superfamily Superfamily superfamily	d.84.1 — Subtilisin inhibitor
Family Family family	d.84.1.0 — automated matches

Domain ID domain_id	d4hx3k1
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.92 — Zincin-like
Superfamily Superfamily superfamily	d.92.1 — Metalloproteases ('zincins'), catalytic domain
Family Family family	d.92.1.1 — Zinc protease

Domain ID domain_id	d4hx3k2
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	d4hx3l_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.84 — Subtilisin inhibitor
Superfamily Superfamily superfamily	d.84.1 — Subtilisin inhibitor
Family Family family	d.84.1.0 — automated matches

CATH v4.4 (12 domains)

Domain ID domain_id	4hx3A00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	390 — Collagenase (Catalytic Domain)
Homologous superfamily homologous superfamily	10 — Collagenase (Catalytic Domain)

Domain ID domain_id	4hx3B00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	350 — Subtilisin Inhibitor
Homologous superfamily homologous superfamily	10 — Subtilisin inhibitor-like

Domain ID domain_id	4hx3C00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	390 — Collagenase (Catalytic Domain)
Homologous superfamily homologous superfamily	10 — Collagenase (Catalytic Domain)

Domain ID domain_id	4hx3D00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	350 — Subtilisin Inhibitor
Homologous superfamily homologous superfamily	10 — Subtilisin inhibitor-like

Domain ID domain_id	4hx3E00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	390 — Collagenase (Catalytic Domain)
Homologous superfamily homologous superfamily	10 — Collagenase (Catalytic Domain)

Domain ID domain_id	4hx3F00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	350 — Subtilisin Inhibitor
Homologous superfamily homologous superfamily	10 — Subtilisin inhibitor-like

Domain ID domain_id	4hx3G00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	390 — Collagenase (Catalytic Domain)
Homologous superfamily homologous superfamily	10 — Collagenase (Catalytic Domain)

Domain ID domain_id	4hx3H00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	350 — Subtilisin Inhibitor
Homologous superfamily homologous superfamily	10 — Subtilisin inhibitor-like

Domain ID domain_id	4hx3I00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	390 — Collagenase (Catalytic Domain)
Homologous superfamily homologous superfamily	10 — Collagenase (Catalytic Domain)

Domain ID domain_id	4hx3J00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	350 — Subtilisin Inhibitor
Homologous superfamily homologous superfamily	10 — Subtilisin inhibitor-like

Domain ID domain_id	4hx3K00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	390 — Collagenase (Catalytic Domain)
Homologous superfamily homologous superfamily	10 — Collagenase (Catalytic Domain)

Domain ID domain_id	4hx3L00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	350 — Subtilisin Inhibitor
Homologous superfamily homologous superfamily	10 — Subtilisin inhibitor-like

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8. Citations (1)

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Unit-cell length a length_a	116.540 Å
Unit-cell length b length_b	121.810 Å
Unit-cell length c length_c	130.670 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	24

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

Resolution resolution	2.700 Å
Low-resolution limit resolution_low	43.490 Å
R factor r_factor	0.1957
R_work r_work	0.1950
R_free r_free	0.2423

Crystal structure of Streptomyces caespitosus sermetstatin in complex with S. caespitosus snapalysin

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

Extracellular small neutral protease

State in the Current Structure

Other States of the Same Protein in the Database

Neutral proteinase inhibitor ScNPI

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

6. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 polymer

Polymer Polymer

来源 Source

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 water

7. Fold Classification (SCOP + CATH) 31 domains

SCOP 2.08 (19 domains)

CATH v4.4 (12 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)

fit	/app/data/saxs_computation/hx/4hx3/4hx3.fit
pddf	/app/data/pr_computation/hx/4hx3/4hx3.pr.out
profile	/app/data/saxs_computation/hx/4hx3/4hx3.dat