7oyx

E.coli's putrescine receptor variant PotF/D (4JDF) with mutations E39D Y87S F88Y S247D in complex with spermidine

Method: X-RAY DIFFRACTION D_max: 108.2 Å Quality: GOOD

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

Putrescine-binding periplasmic protein PotF

Escherichia coli (strain K12)

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 27–370	Mutation：S38T, F88Y, A182D, F276W, L348Q	SPD SPERMIDINE × 1 3IE (2~{S})-1-methoxypropan-2-amine × 2 4SW (2~{S})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine × 1 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 8.3；293 K；2.4 M AmSO4 + 0.1 M Bicine pH 8.3 + 4.5% Jeffamine M600	Resolution 1.37 Å R-free 0.193
2	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain B； UniProt 27–370	Mutation：S38T, F88Y, A182D, F276W, L348Q	SPD SPERMIDINE × 1 3IE (2~{S})-1-methoxypropan-2-amine × 3 CL CHLORIDE ION × 1 4RH (2~{R})-1-(2-methoxyethoxy)propan-2-amine × 1 3IK (2~{R})-1-[(2~{R})-1-[(2~{S})-1-[(2~{S})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-amine × 1 ONT (2~{S})-1-(2-methoxyethoxy)propan-2-amine × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 8.3；293 K；2.4 M AmSO4 + 0.1 M Bicine pH 8.3 + 4.5% Jeffamine M600	Resolution 1.37 Å R-free 0.193

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 7OYX	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1A99 PUTRESCINE RECEPTOR (POTF) FROM E. COLI Deposited 1998-04-17	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 27–370（344 aa）	Not recorded	PUT 1,4-DIAMINOBUTANE × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5；PROTEIN WAS CRYSTALLIZED FROM 2M AMMONIUM SULFATE, 6% GLYCEROL, 200MM CACODYLATE BUFFER (PH 5), pH 5.0	Resolution 2.20 Å R-free 0.233
1A99 PUTRESCINE RECEPTOR (POTF) FROM E. COLI Deposited 1998-04-17	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 27–370（344 aa）	Not recorded	PUT 1,4-DIAMINOBUTANE × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5；PROTEIN WAS CRYSTALLIZED FROM 2M AMMONIUM SULFATE, 6% GLYCEROL, 200MM CACODYLATE BUFFER (PH 5), pH 5.0	Resolution 2.20 Å R-free 0.233
1A99 PUTRESCINE RECEPTOR (POTF) FROM E. COLI Deposited 1998-04-17	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 27–370（344 aa）	Not recorded	PUT 1,4-DIAMINOBUTANE × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5；PROTEIN WAS CRYSTALLIZED FROM 2M AMMONIUM SULFATE, 6% GLYCEROL, 200MM CACODYLATE BUFFER (PH 5), pH 5.0	Resolution 2.20 Å R-free 0.233
1A99 PUTRESCINE RECEPTOR (POTF) FROM E. COLI Deposited 1998-04-17	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 27–370（344 aa）	Not recorded	PUT 1,4-DIAMINOBUTANE × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5；PROTEIN WAS CRYSTALLIZED FROM 2M AMMONIUM SULFATE, 6% GLYCEROL, 200MM CACODYLATE BUFFER (PH 5), pH 5.0	Resolution 2.20 Å R-free 0.233
6YE0 E.coli's Putrescine receptor PotF complexed with Putrescine Deposited 2020-03-23	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 27–370（344 aa）	Not recorded	PUT 1,4-DIAMINOBUTANE × 1 JFN (2R)-1-methoxypropan-2-amine × 2 ONW (2~{R})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.8；293 K；2.4 M Ammoniumsulfate, 0.1 M Bicine pH 8.8, 4.5% Jeffamine M600	Resolution 1.63 Å R-free 0.200
6YE0 E.coli's Putrescine receptor PotF complexed with Putrescine Deposited 2020-03-23	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 27–370（344 aa）	Not recorded	PUT 1,4-DIAMINOBUTANE × 1 JFN (2R)-1-methoxypropan-2-amine × 1 ONT (2~{S})-1-(2-methoxyethoxy)propan-2-amine × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.8；293 K；2.4 M Ammoniumsulfate, 0.1 M Bicine pH 8.8, 4.5% Jeffamine M600	Resolution 1.63 Å R-free 0.200
6YE6 E.coli's Putrescine receptor PotF complexed with Agmatine Deposited 2020-03-24	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 27–370（344 aa）	Not recorded	ONT (2~{S})-1-(2-methoxyethoxy)propan-2-amine × 2 JFN (2R)-1-methoxypropan-2-amine × 7 AG2 AGMATINE × 1 ONW (2~{R})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine × 1 SO4 SULFATE ION × 1 CL CHLORIDE ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.8；293 K；2.4 M Ammoniumsulfate, 0.1 M Bicine pH 8.8, 7% Jeffamine M600	Resolution 1.56 Å R-free 0.185
6YE6 E.coli's Putrescine receptor PotF complexed with Agmatine Deposited 2020-03-24	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 27–370（344 aa）	Not recorded	ONT (2~{S})-1-(2-methoxyethoxy)propan-2-amine × 2 JFN (2R)-1-methoxypropan-2-amine × 8 AG2 AGMATINE × 1 SO4 SULFATE ION × 3 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.8；293 K；2.4 M Ammoniumsulfate, 0.1 M Bicine pH 8.8, 7% Jeffamine M600	Resolution 1.56 Å R-free 0.185
6YE7 E.coli's Putrescine receptor PotF complexed with Cadaverine Deposited 2020-03-24	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 27–370（344 aa）	Not recorded	N2P PENTANE-1,5-DIAMINE × 1 EDO 1,2-ETHANEDIOL × 12 PG4 TETRAETHYLENE GLYCOL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 PGE TRIETHYLENE GLYCOL × 1 TAM TRIS(HYDROXYETHYL)AMINOMETHANE × 1 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.8；293 K；0.1 M Bicine pH 8.8, 2.4 M Ammoniumsulfate, 5% PEG 3550	Resolution 1.60 Å R-free 0.194
6YE7 E.coli's Putrescine receptor PotF complexed with Cadaverine Deposited 2020-03-24	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 27–370（344 aa）	Not recorded	N2P PENTANE-1,5-DIAMINE × 1 EDO 1,2-ETHANEDIOL × 11 PEG DI(HYDROXYETHYL)ETHER × 1 CL CHLORIDE ION × 1 P33 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL × 1 MLI MALONATE ION × 1 1PE PENTAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.8；293 K；0.1 M Bicine pH 8.8, 2.4 M Ammoniumsulfate, 5% PEG 3550	Resolution 1.60 Å R-free 0.194
6YE8 E.coli's Putrescine receptor PotF complexed with Spermidine Deposited 2020-03-24	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 27–370（344 aa）	Not recorded	SPD SPERMIDINE × 1 JFN (2R)-1-methoxypropan-2-amine × 3 ONT (2~{S})-1-(2-methoxyethoxy)propan-2-amine × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.8；293 K；2.4 M Ammoniumsulfate, 0.1 M Bicine pH 8.8, 10% Jeffamine M600	Resolution 1.50 Å R-free 0.183
6YE8 E.coli's Putrescine receptor PotF complexed with Spermidine Deposited 2020-03-24	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 27–370（344 aa）	Not recorded	SPD SPERMIDINE × 1 JFN (2R)-1-methoxypropan-2-amine × 4 ONT (2~{S})-1-(2-methoxyethoxy)propan-2-amine × 1 CL CHLORIDE ION × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.8；293 K；2.4 M Ammoniumsulfate, 0.1 M Bicine pH 8.8, 10% Jeffamine M600	Resolution 1.50 Å R-free 0.183
6YEB E.coli's Putrescine receptor PotF in its closed apo state Deposited 2020-03-24	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 27–370（344 aa）	Not recorded	GOL GLYCEROL × 1 PGE TRIETHYLENE GLYCOL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 7 SO4 SULFATE ION × 2 CL CHLORIDE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.8；293 K；2.4 M Ammoniumsulfate, 0.1 M Bicine pH 8.8, 5% PEG 3550	Resolution 1.97 Å R-free 0.219
6YEB E.coli's Putrescine receptor PotF in its closed apo state Deposited 2020-03-24	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 27–370（344 aa）	Not recorded	PEG DI(HYDROXYETHYL)ETHER × 5 EDO 1,2-ETHANEDIOL × 10 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.8；293 K；2.4 M Ammoniumsulfate, 0.1 M Bicine pH 8.8, 5% PEG 3550	Resolution 1.97 Å R-free 0.219
6YEC E.coli's Putrescine receptor PotF complexed with Spermine Deposited 2020-03-24	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 27–370（344 aa）	Not recorded	SPM SPERMINE × 1 EDO 1,2-ETHANEDIOL × 9 PEG DI(HYDROXYETHYL)ETHER × 1 PGE TRIETHYLENE GLYCOL × 1 SO4 SULFATE ION × 3 CL CHLORIDE ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.8；293 K；2.4 M Ammoniumsulfate, 0.1 M Bicine pH 8.8, 5% PEG 3550	Resolution 2.09 Å R-free 0.240
6YEC E.coli's Putrescine receptor PotF complexed with Spermine Deposited 2020-03-24	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 27–370（344 aa）	Not recorded	SPM SPERMINE × 1 EDO 1,2-ETHANEDIOL × 6 PEG DI(HYDROXYETHYL)ETHER × 1 PGE TRIETHYLENE GLYCOL × 1 SO4 SULFATE ION × 2 CL CHLORIDE ION × 3 GOL GLYCEROL × 1 PG4 TETRAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.8；293 K；2.4 M Ammoniumsulfate, 0.1 M Bicine pH 8.8, 5% PEG 3550	Resolution 2.09 Å R-free 0.240
6YED E.coli's Putrescine receptor PotF in its open apo state Deposited 2020-03-24	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 27–370（344 aa）	Not recorded	PGE TRIETHYLENE GLYCOL × 1 PEG DI(HYDROXYETHYL)ETHER × 2 EDO 1,2-ETHANEDIOL × 11 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；0.1 M Tris pH 7.2, 0.2 M NaCl, 35% PEG 3000	Resolution 2.18 Å R-free 0.273
6YED E.coli's Putrescine receptor PotF in its open apo state Deposited 2020-03-24	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 27–370（344 aa）	Not recorded	PEG DI(HYDROXYETHYL)ETHER × 4 EDO 1,2-ETHANEDIOL × 4 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；0.1 M Tris pH 7.2, 0.2 M NaCl, 35% PEG 3000	Resolution 2.18 Å R-free 0.273
7OYT E.coli's putrescine receptor variant PotF/D (4JDF) with mutations E39D F88L in complex with spermidine Deposited 2021-06-25	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 27–370（344 aa）	Mutation：S38T, S87Y, F88L, A182D, D247S, F276W, L348Q	SPD SPERMIDINE × 1 GOL GLYCEROL × 2 ACT ACETATE ION × 1 EDO 1,2-ETHANEDIOL × 17 PEG DI(HYDROXYETHYL)ETHER × 2 PGE TRIETHYLENE GLYCOL × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.6；293 K；0.1 M Sodium acetate pH 4.6, 0.2 M Ammonium acetate, 30% PEG 4000	Resolution 1.60 Å R-free 0.209
7OYU E.coli's putrescine receptor variant PotF/D (4JDF) with mutations E39D Y87S F88Y in complex with spermidine Deposited 2021-06-25	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 27–370（344 aa）	Mutation：S38T, F88Y, A182D, D247S, F276W, L348Q	PGE TRIETHYLENE GLYCOL × 1 EDO 1,2-ETHANEDIOL × 7 PEG DI(HYDROXYETHYL)ETHER × 1 SPD SPERMIDINE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.6；293 K；0.1 M Sodium acetate pH 4.6, 0.2 M Ammonium acetate, 30% PEG 4000	Resolution 1.95 Å R-free 0.242
7OYY E.coli's putrescine receptor variant PotF/D (4JDF) with mutation S247D in complex with spermidine Deposited 2021-06-25	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 27–370（344 aa）	Mutation：S38T, D39E, S87Y, A182D, F276W, L348Q	SPD SPERMIDINE × 1 GOL GLYCEROL × 1 EDO 1,2-ETHANEDIOL × 3 PEG DI(HYDROXYETHYL)ETHER × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；293 K；0.1 M MES pH 5, 30% PEG 6000	Resolution 1.36 Å R-free 0.186
7OYZ E.coli's putrescine receptor variant PotF/D in complex with spermidine Deposited 2021-06-25	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 27–370（344 aa）	Mutation：S38T, D39E, S87Y, A182D, D247S, F276W, L348Q	SPD SPERMIDINE × 1 EDO 1,2-ETHANEDIOL × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.5；293 K；25% (w/v) PEG 3350, 0.1M Sodium Acetate, pH 4.5	Resolution 1.49 Å R-free 0.215
8ASZ PotF with mutations S87Y and A182D in complex with Agmatine Deposited 2022-08-22	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 27–370（344 aa）	Mutation：S87Y, A182D	AG2 AGMATINE × 1 EDO 1,2-ETHANEDIOL × 10 GOL GLYCEROL × 2 PEG DI(HYDROXYETHYL)ETHER × 2 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.6；293 K；0.17 M AmAcetate, 0.085 M NaAcetate pH 4.6, 30% PEG 4000, 15% Glycerol	Resolution 1.28 Å R-free 0.209
8AT0 PotF with mutation D247K Deposited 2022-08-22	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 29–370（342 aa）	Mutation：D247K	ONT (2~{S})-1-(2-methoxyethoxy)propan-2-amine × 2 SO4 SULFATE ION × 2 JFN (2R)-1-methoxypropan-2-amine × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；293 K；2.4 M AmSO4, 0.1 M Bicine pH 9, 10% Jeffamine M600 pH7.0	Resolution 2.00 Å R-free 0.243
8AT0 PotF with mutation D247K Deposited 2022-08-22	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 29–370（342 aa）	Mutation：D247K	ONT (2~{S})-1-(2-methoxyethoxy)propan-2-amine × 1 SO4 SULFATE ION × 2 JFN (2R)-1-methoxypropan-2-amine × 1 MLI MALONATE ION × 1 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；293 K；2.4 M AmSO4, 0.1 M Bicine pH 9, 10% Jeffamine M600 pH7.0	Resolution 2.00 Å R-free 0.243

14 other PDB entries and 25 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	POTF_ECOLI
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–344； UniProt 27–370 Author chain B； PDBConstruct 1–344； UniProt 27–370

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	7oyx
Deposition date deposition_date	2021-06-25
Structure title title	E.coli's putrescine receptor variant PotF/D (4JDF) with mutations E39D Y87S F88Y S247D in complex with spermidine
Keywords keywords	E.coli, Periplasmic binding protein, PotF, Spermidine, TRANSPORT PROTEIN; TRANSPORT 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	33.54 Å
Radius of gyration Rg (electron density) rg_electron	32.91 Å
Forward intensity I(0) i0	93057400.00
Molecular weight molecular_weight	79232.0 kDa
Excluded volume excluded_volume	100120 Å³
Envelope volume envelope_volume	125340 Å³
Hydration-shell volume shell_volume	32569 Å³
Envelope diameter envelope_diameter	115.8 Å
Shell Rg shell_rg	38.58 Å
Envelope Rg envelope_rg	32.59 Å
Shape Rg shape_rg	32.89 Å
Total Rg total_rg	33.46 Å
Total atoms total_atoms	11164
Residues n_residues	694
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	108.2 Å
Rg (real space) rg_real	33.68 Å
Rg uncertainty (real space) rg_real_error	0.88 Å
I(0) (real space) i0_real	9.3060e+07
I(0) uncertainty (real space) i0_real_error	1.3240e+06
Rg (reciprocal space) rg_reciprocal	33.60 Å
I(0) (reciprocal space) i0_reciprocal	93050000.0000
Solution quality estimate total_estimate	0.8522
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	27.6 Å
Skewness Skewness skewness	0.364
Kurtosis Kurtosis kurtosis	-0.683
Angular range angular_range	— – 0.2350 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	29640000.0000
Real-space data points n_real_points	48
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.836; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.782; Smooth: 0.786

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (9)

Entity 1 Entity 1 polymer

Description description	Putrescine-binding periplasmic protein PotF
Molecular weight formula_weight	39498.6 kDa
Mutation mutation	S38T, F88Y, A182D, F276W, L348Q
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B
Atom count atom_count	12500

AEQKTLHIYNWTDYIAPDTVANFEKETGIKVVYDVFDSNEVLEGKLMAGSTGFDLVVPSASYLERQLTAGVFQPLDKSKLPEWKNLDPELLKLVAKHDPDNKFAMPYMWATTGIGYNVDKVKAVLGENAPVDSWDLILKPENLEKLKSCGVSFLDDPEEVFATVLNYLGKDPNSTKADDYTGPATDLLLKLRPNIRYFHSSQYINDLANGDICVAIGWAGDVWQASNRAKEAKNGVNVSFSIPKEGAMAWFDVFAMPADAKNKDEAYQFLNYLLRPDVVAHISDHVFYANANKAATPLVSAEVRENPGIYPPADVRAKLFTQKVQDPKIDRVRTRAWTKVKSGKLEHHHHHH

来源 Source

来源生物 organism	Escherichia coli (strain K12)
NCBI Class编号 ncbi_taxonomy_id	83333
宿主生物 host_organism	Escherichia coli BL21(DE3)

Entity 2 Entity 2 non-polymer

Description description	SPERMIDINE
Molecular weight formula_weight	145.2 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 3 Entity 3 non-polymer

Description description	(2~{S})-1-methoxypropan-2-amine
Molecular weight formula_weight	89.1 kDa
Source method src_method	syn
Copy count entity_count	5

Entity 4 Entity 4 non-polymer

Description description	(2~{S})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine
Molecular weight formula_weight	191.3 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 5 Entity 5 non-polymer

Description description	CHLORIDE ION
Molecular weight formula_weight	35.5 kDa
Source method src_method	nat
Copy count entity_count	3

Entity 6 Entity 6 non-polymer

Description description	(2~{R})-1-(2-methoxyethoxy)propan-2-amine
Molecular weight formula_weight	133.2 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 7 Entity 7 non-polymer

Description description	(2~{R})-1-[(2~{R})-1-[(2~{S})-1-[(2~{S})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-amine
Molecular weight formula_weight	307.4 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 8 Entity 8 non-polymer

Description description	(2~{S})-1-(2-methoxyethoxy)propan-2-amine
Molecular weight formula_weight	133.2 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 9 Entity 9 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	766

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8. Citations (1)

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Unit-cell length a length_a	117.155 Å
Unit-cell length b length_b	71.493 Å
Unit-cell length c length_c	92.661 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 21 21 2
Space-group number int_tables_number	18
Crystal system crystal_system	orthorhombic

Resolution resolution	1.370 Å
Low-resolution limit resolution_low	40.700 Å
R factor r_factor	0.1657
R_work r_work	0.1653
R_free r_free	0.1933

fit	/app/data/saxs_computation/oy/7oyx/7oyx.fit
pddf	/app/data/pr_computation/oy/7oyx/7oyx.pr.out
profile	/app/data/saxs_computation/oy/7oyx/7oyx.dat