SAXSdb — 1pi1

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

Mob1A

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 33–216	Fragment：sequence database residues 33-216	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

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 1PI1	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
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 construct 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
5TWF Regulation of protein interactions by MOB1 phosphorylation Deposited 2016-11-13	Different construct Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–216（216 aa）	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
5TWF Regulation of protein interactions by MOB1 phosphorylation Deposited 2016-11-13	Different construct Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 1–216（216 aa）	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
5TWF Regulation of protein interactions by MOB1 phosphorylation Deposited 2016-11-13	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–216（216 aa）	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
5TWF Regulation of protein interactions by MOB1 phosphorylation Deposited 2016-11-13	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain B 1–216（216 aa）	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
5TWG human MOB1A bound to human MST1 phosphorylated T353 peptide Deposited 2016-11-13	Different construct 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 construct Different oligomeric state Different ligand/ion 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 17 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	MOL1B_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 2–185； UniProt 33–216

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	1pi1
Deposition date deposition_date	2003-05-29
Structure title title	Crystal structure of a human Mob1 protein; toward understanding Mob-regulated cell cycle pathways.
Keywords keywords	Mob1, mitotic exit network, mitosis, Dbf2, CELL CYCLE; CELL CYCLE
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	18.17 Å
Radius of gyration Rg (electron density) rg_electron	16.83 Å
Forward intensity I(0) i0	8382680.00
Molecular weight molecular_weight	21564.0 kDa
Excluded volume excluded_volume	27109 Å³
Envelope volume envelope_volume	31727 Å³
Hydration-shell volume shell_volume	15901 Å³
Envelope diameter envelope_diameter	63.5 Å
Shell Rg shell_rg	22.99 Å
Envelope Rg envelope_rg	17.45 Å
Shape Rg shape_rg	16.78 Å
Total Rg total_rg	18.04 Å
Total atoms total_atoms	1516
Residues n_residues	185
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	61.8 Å
Rg (real space) rg_real	18.09 Å
Rg uncertainty (real space) rg_real_error	0.48 Å
I(0) (real space) i0_real	8.3830e+06
I(0) uncertainty (real space) i0_real_error	1.0360e+05
Rg (reciprocal space) rg_reciprocal	18.11 Å
I(0) (reciprocal space) i0_reciprocal	8383000.0000
Solution quality estimate total_estimate	0.7883
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	3
Primary peak position r_peak_primary	24.2 Å
Skewness Skewness skewness	0.210
Kurtosis Kurtosis kurtosis	-0.306
Angular range angular_range	— – 0.4400 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	1783000.0000
Real-space data points n_real_points	75
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.751; Stabil: 0.997; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.000

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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	Mob1A
Molecular weight formula_weight	21528.6 kDa
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	1605

MEATLGSGNLRQAVMLPEGEDLNEWIAVNTVDFFNQINMLYGTITEFCTEASCPVMSAGPRYEYHWADGTNIKKPIKCSAPKYIDYLMTWVQDQLDDETLFPSKIGVPFPKNFMSVAKTILKRLFRVYAHIYHQHFDSVMQLQEEAHLNTSFKHFIFFVQEFNLIDRRELAPLQELIEKLGSKDR

来源 Source

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 BL21

Entity 2 Entity 2 non-polymer

Description description	ZINC ION
Molecular weight formula_weight	65.4 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 3 Entity 3 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	89

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7. Fold Classification (SCOP + CATH) 3 domains

SCOP 2.08 (2 domains)

Domain ID domain_id	d1pi1a1
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	d1pi1a2
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

CATH v4.4 (1 domains)

Domain ID domain_id	1pi1A00
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	67.676 Å
Unit-cell length b length_b	67.676 Å
Unit-cell length c length_c	95.595 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	120.00 °
Molecules per unit cell Z z_pdb	6

Space group space_group	P 32 2 1
Space-group number int_tables_number	154
Crystal system crystal_system	—

Resolution resolution	2.000 Å
Low-resolution limit resolution_low	25.000 Å
R factor r_factor	0.2070
R_work r_work	0.2050
R_free r_free	0.2420

fit	/app/data/saxs_computation/pi/1pi1/1pi1.fit
pddf	/app/data/pr_computation/pi/1pi1/1pi1.pr.out
profile	/app/data/saxs_computation/pi/1pi1/1pi1.dat

Crystal structure of a human Mob1 protein; toward understanding Mob-regulated cell cycle pathways.

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

Mob1A

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