SAXSdb — 5twf

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

MOB kinase activator 1A

Homo sapiens

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 1–216	Not recorded	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION；pH 5.5；298 K；0.1 M MES pH 5.5, 0.2 M NH4Cl, and 20% PEG 6000	Resolution 3.14 Å R-free 0.291
2	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain B； UniProt 1–216	Not recorded	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION；pH 5.5；298 K；0.1 M MES pH 5.5, 0.2 M NH4Cl, and 20% PEG 6000	Resolution 3.14 Å R-free 0.291
3	Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain A； UniProt 1–216	Not recorded	ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION；pH 5.5；298 K；0.1 M MES pH 5.5, 0.2 M NH4Cl, and 20% PEG 6000	Resolution 3.14 Å R-free 0.291
4	Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain B； UniProt 1–216	Not recorded	ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION；pH 5.5；298 K；0.1 M MES pH 5.5, 0.2 M NH4Cl, and 20% PEG 6000	Resolution 3.14 Å R-free 0.291

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 5TWF	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1PI1 Crystal structure of a human Mob1 protein; toward understanding Mob-regulated cell cycle pathways. Deposited 2003-05-29	Different construct Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 33–216（184 aa） Fragment：sequence database residues 33-216	Not recorded	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.8；298 K；Sodium Citrate, Bis-Tris Propane, isopropanol, DTT, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.00 Å R-free 0.242
4J1V Functional and structural studies of MOBKL1B, a Salvador/Warts/Hippo tumor suppressor pathway, in HCV replication Deposited 2013-02-02	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 33–216（184 aa）	Not recorded	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；279 K；0.1 M HEPES, 0.1 M KCl, 15% PEG5000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 279K	Resolution 1.95 Å R-free 0.225
4J1V Functional and structural studies of MOBKL1B, a Salvador/Warts/Hippo tumor suppressor pathway, in HCV replication Deposited 2013-02-02	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain C 33–216（184 aa）	Not recorded	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；279 K；0.1 M HEPES, 0.1 M KCl, 15% PEG5000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 279K	Resolution 1.95 Å R-free 0.225
4JIZ Human Mob1-phosphopeptide complex Deposited 2013-03-07	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 40–211（172 aa）	Not recorded	ZN ZINC ION × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.10 Å R-free 0.226
5BRK pMob1-Lats1 complex Deposited 2015-05-31	Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–216（216 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；0.2 M di-Ammonium citrate 20% (W/V) PEG 3,350	Resolution 2.30 Å R-free 0.221
5BRM Structural basis for Mob1-dependent activation of the core Mst-Lats kinase cascade in Hippo signaling Deposited 2015-05-31	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 15 PDB declaration: pentadecameric	Chain A 41–216（176 aa） Fragment：UNP residues 41-216 Chain B 41–216（176 aa） Fragment：UNP residues 41-216 Chain C 41–216（176 aa） Fragment：UNP residues 41-216 Chain D 41–216（176 aa） Fragment：UNP residues 41-216 Chain E 41–216（176 aa） Fragment：UNP residues 41-216 Chain F 41–216（176 aa） Fragment：UNP residues 41-216	Not recorded	ZN ZINC ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；2.4 M Na Malonate	Resolution 2.65 Å R-free 0.268
5TWG human MOB1A bound to human MST1 phosphorylated T353 peptide Deposited 2016-11-13	Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–216（216 aa）	Not recorded	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；298 K；0.1 M MES pH 6.0, 0.2 M LiCl and 20% PEG 6000	Resolution 2.30 Å R-free 0.252
5TWH human MOB1A bound to MST1 phosphorylated T367 peptide Deposited 2016-11-13	Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 1–216（216 aa）	Not recorded	ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；298 K；0.1 M MES pH 6.0, 0.2 M LiCl and 20% PEG 6000	Resolution 2.50 Å R-free 0.260
5XQZ Structure of the MOB1-NDR2 complex Deposited 2017-06-07	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 33–216（184 aa） Fragment：UNP RESIDUES 33-216	Not recorded	ZN ZINC ION × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；287 K；PEG 3350, HEPES, magnesium chloride	Resolution 2.10 Å R-free 0.244
5XQZ Structure of the MOB1-NDR2 complex Deposited 2017-06-07	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 33–216（184 aa） Fragment：UNP RESIDUES 33-216	Not recorded	ZN ZINC ION × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；287 K；PEG 3350, HEPES, magnesium chloride	Resolution 2.10 Å R-free 0.244
6MCP L. pneumophila effector kinase LegK7 (AMP-PNP bound) in complex with human MOB1A Deposited 2018-09-01	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 33–213（181 aa） Fragment：UNP residues 33-213	Not recorded	PG4 TETRAETHYLENE GLYCOL × 2 PEG DI(HYDROXYETHYL)ETHER × 9 P6G HEXAETHYLENE GLYCOL × 3 ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；288 K；0.1 M HEPES, pH 7.5, 21% PEG600, 0.2 M sodium chloride, 20 mM succinate	Resolution 2.50 Å R-free 0.233
6MCP L. pneumophila effector kinase LegK7 (AMP-PNP bound) in complex with human MOB1A Deposited 2018-09-01	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 33–213（181 aa） Fragment：UNP residues 33-213	Not recorded	PG4 TETRAETHYLENE GLYCOL × 1 PEG DI(HYDROXYETHYL)ETHER × 9 P6G HEXAETHYLENE GLYCOL × 1 ZN ZINC ION × 1 MN MANGANESE (II) ION × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；288 K；0.1 M HEPES, pH 7.5, 21% PEG600, 0.2 M sodium chloride, 20 mM succinate	Resolution 2.50 Å R-free 0.233
6MCQ L. pneumophila effector kinase LegK7 in complex with human MOB1A Deposited 2018-09-01	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 33–216（184 aa） Fragment：UNP residues 33-216	Not recorded	PEG DI(HYDROXYETHYL)ETHER × 10 P6G HEXAETHYLENE GLYCOL × 3 PG4 TETRAETHYLENE GLYCOL × 3 ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；288 K；0.1 M HEPES, pH 7.5, 23% PEG600, 0.1 M lithium chloride, 20 mM succinate, pH 7.0	Resolution 2.57 Å R-free 0.245
6MCQ L. pneumophila effector kinase LegK7 in complex with human MOB1A Deposited 2018-09-01	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 33–216（184 aa） Fragment：UNP residues 33-216	Not recorded	PEG DI(HYDROXYETHYL)ETHER × 6 PG4 TETRAETHYLENE GLYCOL × 2 ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；288 K；0.1 M HEPES, pH 7.5, 23% PEG600, 0.1 M lithium chloride, 20 mM succinate, pH 7.0	Resolution 2.57 Å R-free 0.245

10 other PDB entries and 14 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	MOB1A_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–216； UniProt 1–216 Author chain B； PDBConstruct 1–216； UniProt 1–216

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	5twf
Deposition date deposition_date	2016-11-13
Structure title title	Regulation of protein interactions by MOB1 phosphorylation
Keywords keywords	non-phosphorylated, auto-inhibited, MOB1A, SIGNALING PROTEIN; SIGNALING PROTEIN
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	25.95 Å
Radius of gyration Rg (electron density) rg_electron	25.00 Å
Forward intensity I(0) i0	28484000.00
Molecular weight molecular_weight	41912.0 kDa
Excluded volume excluded_volume	52592 Å³
Envelope volume envelope_volume	67280 Å³
Hydration-shell volume shell_volume	22677 Å³
Envelope diameter envelope_diameter	82.7 Å
Shell Rg shell_rg	31.87 Å
Envelope Rg envelope_rg	24.52 Å
Shape Rg shape_rg	24.99 Å
Total Rg total_rg	25.85 Å
Total atoms total_atoms	2956
Residues n_residues	379
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	79.4 Å
Rg (real space) rg_real	25.95 Å
Rg uncertainty (real space) rg_real_error	0.62 Å
I(0) (real space) i0_real	2.8480e+07
I(0) uncertainty (real space) i0_real_error	3.9910e+05
Rg (reciprocal space) rg_reciprocal	25.95 Å
I(0) (reciprocal space) i0_reciprocal	28480000.0000
Solution quality estimate total_estimate	0.9105
Solution quality rating solution_quality	EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks	3
Primary peak position r_peak_primary	23.4 Å
Skewness Skewness skewness	0.237
Kurtosis Kurtosis kurtosis	-0.690
Angular range angular_range	— – 0.3050 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	5164000.0000
Real-space data points n_real_points	62
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.968; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.977; Smooth: 0.956

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (2)

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7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_id	d5twfa_
Class class	a — All alpha proteins
Fold Fold fold	a.29 — Bromodomain-like
Superfamily Superfamily superfamily	a.29.7 — Mob1/phocein
Family Family family	a.29.7.1 — Mob1/phocein

Domain ID domain_id	d5twfb_
Class class	a — All alpha proteins
Fold Fold fold	a.29 — Bromodomain-like
Superfamily Superfamily superfamily	a.29.7 — Mob1/phocein
Family Family family	a.29.7.1 — Mob1/phocein

CATH v4.4 (2 domains)

Domain ID domain_id	5twfA00
Class class	1 — Mainly Alpha
Architecture architecture	20 — Up-down Bundle
Topology topology	140 — Butyryl-CoA Dehydrogenase, subunit A; domain 3
Homologous superfamily homologous superfamily	30 — MOB kinase activator

Domain ID domain_id	5twfB00
Class class	1 — Mainly Alpha
Architecture architecture	20 — Up-down Bundle
Topology topology	140 — Butyryl-CoA Dehydrogenase, subunit A; domain 3
Homologous superfamily homologous superfamily	30 — MOB kinase activator

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8. Citations (1)

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Unit-cell length a length_a	86.132 Å
Unit-cell length b length_b	86.160 Å
Unit-cell length c length_c	138.081 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	C 2 2 21
Space-group number int_tables_number	20
Crystal system crystal_system	—

Resolution resolution	3.136 Å
Low-resolution limit resolution_low	25.400 Å
R factor r_factor	0.2646
R_work r_work	0.2634
R_free r_free	0.2911

Description description	MOB kinase activator 1A
Molecular weight formula_weight	25112.7 kDa
Source method src_method	man
Copy count entity_count	2

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B
Atom count atom_count	2956

Regulation of protein interactions by MOB1 phosphorylation

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

MOB kinase activator 1A

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 (2)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 non-polymer

7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

CATH v4.4 (2 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)

来源生物 organism	Homo sapiens
通用名 common_name	Human
NCBI Class编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Escherichia coli

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

fit	/app/data/saxs_computation/tw/5twf/5twf.fit
pddf	/app/data/pr_computation/tw/5twf/5twf.pr.out
profile	/app/data/saxs_computation/tw/5twf/5twf.dat