2bxw

CRYSTAL STRUCTURE OF RHOGDI Lys(135,138,141)Tyr MUTANT

Method: X-RAY DIFFRACTION D_max: 89.5 Å Quality: GOOD

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

RHO GDP-DISSOCIATION INHIBITOR 1

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 67–204	Fragment：ISOPRENYL-BINDING DOMAIN, RESIDUES 67-204 Mutation：YES	FMT FORMIC ACID × 2 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions：pH 7.88；4M NA FORMATE, pH 7.88	Resolution 2.40 Å R-free 0.222
2	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain B； UniProt 67–204	Fragment：ISOPRENYL-BINDING DOMAIN, RESIDUES 67-204 Mutation：YES	No other associated polymer	X-RAY DIFFRACTION X-ray crystallization conditions：pH 7.88；4M NA FORMATE, pH 7.88	Resolution 2.40 Å R-free 0.222

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 2BXW	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1CC0 CRYSTAL STRUCTURE OF THE RHOA.GDP-RHOGDI COMPLEX Deposited 1999-03-03	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 1–204（204 aa）	Not recorded	MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.3；293 K；CRYSTALS GROWN BY VAPOR DIFFUSION IN A SITTING DROP USING EQUAL VOLUMES OF PROTEIN AND RESERVOIR. CRYSTALLIZATION OCCURED OVER A PERIOD OF SEVERAL DAYS AT 20 DEGREE CELSIUS. PROTEIN (15 MG/ML) WAS IN 25MM TRIS-HCL, PH=8.0, 100MM NACL, 5MM MGCL2. RESERVOIR CONTAINED: 51% SATURATED AMMONIUM SULFATE, 100 MM SODIUM ACETATE, PH=5.3, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 5.00 Å
1CC0 CRYSTAL STRUCTURE OF THE RHOA.GDP-RHOGDI COMPLEX Deposited 1999-03-03	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain F 1–204（204 aa）	Not recorded	MG MAGNESIUM ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.3；293 K；CRYSTALS GROWN BY VAPOR DIFFUSION IN A SITTING DROP USING EQUAL VOLUMES OF PROTEIN AND RESERVOIR. CRYSTALLIZATION OCCURED OVER A PERIOD OF SEVERAL DAYS AT 20 DEGREE CELSIUS. PROTEIN (15 MG/ML) WAS IN 25MM TRIS-HCL, PH=8.0, 100MM NACL, 5MM MGCL2. RESERVOIR CONTAINED: 51% SATURATED AMMONIUM SULFATE, 100 MM SODIUM ACETATE, PH=5.3, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 5.00 Å
1FSO CRYSTAL STRUCTURE OF TRUNCATED HUMAN RHOGDI QUADRUPLE MUTANT Deposited 2000-09-11	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 67–204（138 aa） Fragment：C-TERMINAL DOMAIN	Mutation：K135A, K138A, K141A, L196F	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；ammonium sulfate and MES buffer, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K	Resolution 2.00 Å R-free 0.232
1FST CRYSTAL STRUCTURE OF TRUNCATED HUMAN RHOGDI TRIPLE MUTANT Deposited 2000-09-11	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 24–204（181 aa） Fragment：C-TERMINAL DOMAIN	Mutation：K135A, K138A, K141A	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；PEG 3400, isopropanol, HEPES buffer, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K	Resolution 2.70 Å R-free 0.261
1FST CRYSTAL STRUCTURE OF TRUNCATED HUMAN RHOGDI TRIPLE MUTANT Deposited 2000-09-11	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 24–204（181 aa） Fragment：C-TERMINAL DOMAIN	Mutation：K135A, K138A, K141A	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；PEG 3400, isopropanol, HEPES buffer, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K	Resolution 2.70 Å R-free 0.261
1FT0 CRYSTAL STRUCTURE OF TRUNCATED HUMAN RHOGDI K113A MUTANT Deposited 2000-09-11	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 67–204（138 aa） Fragment：C-TERMINAL DOMAIN	Mutation：K113A	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；ammonium sulfate, Na/K tartrate, and sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.60 Å R-free 0.260
1FT0 CRYSTAL STRUCTURE OF TRUNCATED HUMAN RHOGDI K113A MUTANT Deposited 2000-09-11	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 67–204（138 aa） Fragment：C-TERMINAL DOMAIN	Mutation：K113A	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；ammonium sulfate, Na/K tartrate, and sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.60 Å R-free 0.260
1FT0 CRYSTAL STRUCTURE OF TRUNCATED HUMAN RHOGDI K113A MUTANT Deposited 2000-09-11	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 67–204（138 aa） Fragment：C-TERMINAL DOMAIN Chain B 67–204（138 aa） Fragment：C-TERMINAL DOMAIN	Mutation：K113A Mutation：K113A	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；ammonium sulfate, Na/K tartrate, and sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.60 Å R-free 0.260
1FT3 CRYSTAL STRUCTURE OF TRUNCATED RHOGDI K141A MUTANT Deposited 2000-09-11	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 67–204（138 aa） Fragment：C-TERMINAL DOMAIN	Mutation：K141A	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；ammonium sulfate, Na/K tartrate, sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.80 Å R-free 0.260
1FT3 CRYSTAL STRUCTURE OF TRUNCATED RHOGDI K141A MUTANT Deposited 2000-09-11	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 67–204（138 aa） Fragment：C-TERMINAL DOMAIN	Mutation：K141A	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；ammonium sulfate, Na/K tartrate, sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.80 Å R-free 0.260
1FT3 CRYSTAL STRUCTURE OF TRUNCATED RHOGDI K141A MUTANT Deposited 2000-09-11	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 67–204（138 aa） Fragment：C-TERMINAL DOMAIN Chain B 67–204（138 aa） Fragment：C-TERMINAL DOMAIN	Mutation：K141A Mutation：K141A	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；ammonium sulfate, Na/K tartrate, sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.80 Å R-free 0.260
1FT3 CRYSTAL STRUCTURE OF TRUNCATED RHOGDI K141A MUTANT Deposited 2000-09-11	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain B 67–204（138 aa） Fragment：C-TERMINAL DOMAIN	Mutation：K141A	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；ammonium sulfate, Na/K tartrate, sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.80 Å R-free 0.260
1HH4 Rac1-RhoGDI complex involved in NADPH oxidase activation Deposited 2000-12-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 1–204（204 aa）	Not recorded	GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 GER GERAN-8-YL GERAN × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；HANGING DROP AT 20C WITH RESERVOIR: 30% PEG 4000, 100 MM NA CITRATE PH=5.6, 5 MM MGCL2, 200 MM AMMONIUM ACETATE, pH 5.60	Resolution 2.70 Å R-free 0.280
1HH4 Rac1-RhoGDI complex involved in NADPH oxidase activation Deposited 2000-12-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 1–204（204 aa）	Not recorded	GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 GER GERAN-8-YL GERAN × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；HANGING DROP AT 20C WITH RESERVOIR: 30% PEG 4000, 100 MM NA CITRATE PH=5.6, 5 MM MGCL2, 200 MM AMMONIUM ACETATE, pH 5.60	Resolution 2.70 Å R-free 0.280
1KMT Crystal structure of RhoGDI Glu(154,155)Ala mutant Deposited 2001-12-17	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 64–204（141 aa）	Mutation：E154A, E155A	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；294 K；PEG 4000, Tris-HCl, Lithium sulfate, methylpentane diol, pH 8.5, VAPOR DIFFUSION, temperature 294K	Resolution 1.30 Å R-free 0.195
1KMT Crystal structure of RhoGDI Glu(154,155)Ala mutant Deposited 2001-12-17	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 64–204（141 aa）	Mutation：E154A, E155A	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；294 K；PEG 4000, Tris-HCl, Lithium sulfate, methylpentane diol, pH 8.5, VAPOR DIFFUSION, temperature 294K	Resolution 1.30 Å R-free 0.195
1QVY Crystal structure of RhoGDI K(199,200)R double mutant Deposited 2003-08-29	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 67–204（138 aa） Fragment：C-terminal domain	Mutation：K(199,200)R	SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；294 K；30% PEG 400, 0.1 M Tris, 0.2 M lithium sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 294.0K	Resolution 1.60 Å R-free 0.210
1QVY Crystal structure of RhoGDI K(199,200)R double mutant Deposited 2003-08-29	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 67–204（138 aa） Fragment：C-terminal domain	Mutation：K(199,200)R	SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；294 K；30% PEG 400, 0.1 M Tris, 0.2 M lithium sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 294.0K	Resolution 1.60 Å R-free 0.210
1QVY Crystal structure of RhoGDI K(199,200)R double mutant Deposited 2003-08-29	Different construct 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 67–204（138 aa） Fragment：C-terminal domain	Mutation：K(199,200)R	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；294 K；30% PEG 400, 0.1 M Tris, 0.2 M lithium sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 294.0K	Resolution 1.60 Å R-free 0.210
1QVY Crystal structure of RhoGDI K(199,200)R double mutant Deposited 2003-08-29	Different construct 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 67–204（138 aa） Fragment：C-terminal domain	Mutation：K(199,200)R	SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；294 K；30% PEG 400, 0.1 M Tris, 0.2 M lithium sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 294.0K	Resolution 1.60 Å R-free 0.210
1RHO STRUCTURE OF RHO GUANINE NUCLEOTIDE DISSOCIATION INHIBITOR Deposited 1996-10-12	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 59–203（145 aa）	Mutation：TRYPSIN PROTEOLYSIS AT R58 Non-standard monomer：Yes (specific site not provided by mmCIF)	SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions pH 8.5；2 M NH4 SO4 0.1 M TRIS PH 8.5	Resolution 2.50 Å R-free 0.298
1RHO STRUCTURE OF RHO GUANINE NUCLEOTIDE DISSOCIATION INHIBITOR Deposited 1996-10-12	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 59–203（145 aa）	Mutation：TRYPSIN PROTEOLYSIS AT R58 Non-standard monomer：Yes (specific site not provided by mmCIF)	SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions pH 8.5；2 M NH4 SO4 0.1 M TRIS PH 8.5	Resolution 2.50 Å R-free 0.298
1RHO STRUCTURE OF RHO GUANINE NUCLEOTIDE DISSOCIATION INHIBITOR Deposited 1996-10-12	Different construct 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 59–203（145 aa）	Mutation：TRYPSIN PROTEOLYSIS AT R58 Non-standard monomer：Yes (specific site not provided by mmCIF)	SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions pH 8.5；2 M NH4 SO4 0.1 M TRIS PH 8.5	Resolution 2.50 Å R-free 0.298
1RHO STRUCTURE OF RHO GUANINE NUCLEOTIDE DISSOCIATION INHIBITOR Deposited 1996-10-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 59–203（145 aa） Chain C 59–203（145 aa）	Mutation：TRYPSIN PROTEOLYSIS AT R58 Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：TRYPSIN PROTEOLYSIS AT R58 Non-standard monomer：Yes (specific site not provided by mmCIF)	SO4 SULFATE ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions pH 8.5；2 M NH4 SO4 0.1 M TRIS PH 8.5	Resolution 2.50 Å R-free 0.298
1RHO STRUCTURE OF RHO GUANINE NUCLEOTIDE DISSOCIATION INHIBITOR Deposited 1996-10-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 5 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain B 59–203（145 aa）	Mutation：TRYPSIN PROTEOLYSIS AT R58 Non-standard monomer：Yes (specific site not provided by mmCIF)	SO4 SULFATE ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions pH 8.5；2 M NH4 SO4 0.1 M TRIS PH 8.5	Resolution 2.50 Å R-free 0.298
1RHO STRUCTURE OF RHO GUANINE NUCLEOTIDE DISSOCIATION INHIBITOR Deposited 1996-10-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 6 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric	Chain A 59–203（145 aa） Chain C 59–203（145 aa）	Mutation：TRYPSIN PROTEOLYSIS AT R58 Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：TRYPSIN PROTEOLYSIS AT R58 Non-standard monomer：Yes (specific site not provided by mmCIF)	SO4 SULFATE ION × 18	X-RAY DIFFRACTION X-ray crystallization conditions pH 8.5；2 M NH4 SO4 0.1 M TRIS PH 8.5	Resolution 2.50 Å R-free 0.298
1RHO STRUCTURE OF RHO GUANINE NUCLEOTIDE DISSOCIATION INHIBITOR Deposited 1996-10-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 7 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric	Chain B 59–203（145 aa）	Mutation：TRYPSIN PROTEOLYSIS AT R58 Non-standard monomer：Yes (specific site not provided by mmCIF)	SO4 SULFATE ION × 18	X-RAY DIFFRACTION X-ray crystallization conditions pH 8.5；2 M NH4 SO4 0.1 M TRIS PH 8.5	Resolution 2.50 Å R-free 0.298
1RHO STRUCTURE OF RHO GUANINE NUCLEOTIDE DISSOCIATION INHIBITOR Deposited 1996-10-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 8 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain B 59–203（145 aa）	Mutation：TRYPSIN PROTEOLYSIS AT R58 Non-standard monomer：Yes (specific site not provided by mmCIF)	SO4 SULFATE ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions pH 8.5；2 M NH4 SO4 0.1 M TRIS PH 8.5	Resolution 2.50 Å R-free 0.298
1RHO STRUCTURE OF RHO GUANINE NUCLEOTIDE DISSOCIATION INHIBITOR Deposited 1996-10-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 9 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 59–203（145 aa） Chain C 59–203（145 aa）	Mutation：TRYPSIN PROTEOLYSIS AT R58 Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：TRYPSIN PROTEOLYSIS AT R58 Non-standard monomer：Yes (specific site not provided by mmCIF)	SO4 SULFATE ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions pH 8.5；2 M NH4 SO4 0.1 M TRIS PH 8.5	Resolution 2.50 Å R-free 0.298
2JHS CRYSTAL STRUCTURE OF RHOGDI K135H,K138H,K141H MUTANT Deposited 2007-02-23	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 66–201（136 aa） Fragment：ISOPRENYL-BINDING DOMAIN, RESIDUES 66-201	Mutation：YES	FLC CITRATE ANION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；1.4 M SODIUM CITRATE, 100 MM HEPES PH 7.5	Resolution 1.95 Å R-free 0.209
2JHT CRYSTAL STRUCTURE OF RHOGDI K135T,K138T,K141T MUTANT Deposited 2007-02-23	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 66–201（136 aa） Fragment：ISOPRENYL-BINDING DOMAIN, RESIDUES 66-201	Mutation：YES	SO4 SULFATE ION × 1 LI LITHIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 8.5；35% PEG 4000 0.2 M LITHIUM SULFATE 0.1M TRIS PH 8.5	Resolution 1.88 Å R-free 0.259
2JHT CRYSTAL STRUCTURE OF RHOGDI K135T,K138T,K141T MUTANT Deposited 2007-02-23	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 66–201（136 aa） Fragment：ISOPRENYL-BINDING DOMAIN, RESIDUES 66-201	Mutation：YES	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 8.5；35% PEG 4000 0.2 M LITHIUM SULFATE 0.1M TRIS PH 8.5	Resolution 1.88 Å R-free 0.259
2JHT CRYSTAL STRUCTURE OF RHOGDI K135T,K138T,K141T MUTANT Deposited 2007-02-23	Different construct Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 66–201（136 aa） Fragment：ISOPRENYL-BINDING DOMAIN, RESIDUES 66-201	Mutation：YES	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 8.5；35% PEG 4000 0.2 M LITHIUM SULFATE 0.1M TRIS PH 8.5	Resolution 1.88 Å R-free 0.259
2JHT CRYSTAL STRUCTURE OF RHOGDI K135T,K138T,K141T MUTANT Deposited 2007-02-23	Different construct Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 66–201（136 aa） Fragment：ISOPRENYL-BINDING DOMAIN, RESIDUES 66-201	Mutation：YES	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 8.5；35% PEG 4000 0.2 M LITHIUM SULFATE 0.1M TRIS PH 8.5	Resolution 1.88 Å R-free 0.259
2JHU CRYSTAL STRUCTURE OF RHOGDI E154A,E155A MUTANT Deposited 2007-02-23	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 66–201（136 aa） Fragment：ISOPRENYL-BINDING DOMAIN, RESIDUES 66-201	Mutation：YES	SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 6.5；2.0 M AMMONIUM SULFATE 0.2 M SODIUM CHLORIDE 0.1 M SODIUM CACODYLATE PH 6.5	Resolution 1.65 Å R-free 0.233
2JHU CRYSTAL STRUCTURE OF RHOGDI E154A,E155A MUTANT Deposited 2007-02-23	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 66–201（136 aa） Fragment：ISOPRENYL-BINDING DOMAIN, RESIDUES 66-201	Mutation：YES	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 6.5；2.0 M AMMONIUM SULFATE 0.2 M SODIUM CHLORIDE 0.1 M SODIUM CACODYLATE PH 6.5	Resolution 1.65 Å R-free 0.233
2JHV CRYSTAL STRUCTURE OF RHOGDI E154A,E155A MUTANT Deposited 2007-02-23	Different construct Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 66–201（136 aa） Fragment：ISOPRENYL-BINDING DOMAIN, RESIDUES 66-201	Mutation：YES	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 6.5；2.0 M AMMONIUM SULFATE 0.2 M SODIUM CHLORIDE 0.1 M SODIUM CACODYLATE PH 6.5	Resolution 2.07 Å R-free 0.257
2JHV CRYSTAL STRUCTURE OF RHOGDI E154A,E155A MUTANT Deposited 2007-02-23	Different construct Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 66–201（136 aa） Fragment：ISOPRENYL-BINDING DOMAIN, RESIDUES 66-201	Mutation：YES	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 6.5；2.0 M AMMONIUM SULFATE 0.2 M SODIUM CHLORIDE 0.1 M SODIUM CACODYLATE PH 6.5	Resolution 2.07 Å R-free 0.257
2JHV CRYSTAL STRUCTURE OF RHOGDI E154A,E155A MUTANT Deposited 2007-02-23	Different construct Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 66–201（136 aa） Fragment：ISOPRENYL-BINDING DOMAIN, RESIDUES 66-201	Mutation：YES	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 6.5；2.0 M AMMONIUM SULFATE 0.2 M SODIUM CHLORIDE 0.1 M SODIUM CACODYLATE PH 6.5	Resolution 2.07 Å R-free 0.257
2JHV CRYSTAL STRUCTURE OF RHOGDI E154A,E155A MUTANT Deposited 2007-02-23	Different construct Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 66–201（136 aa） Fragment：ISOPRENYL-BINDING DOMAIN, RESIDUES 66-201	Mutation：YES	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 6.5；2.0 M AMMONIUM SULFATE 0.2 M SODIUM CHLORIDE 0.1 M SODIUM CACODYLATE PH 6.5	Resolution 2.07 Å R-free 0.257
2JHV CRYSTAL STRUCTURE OF RHOGDI E154A,E155A MUTANT Deposited 2007-02-23	Different construct Different experimental conditions Different structure-quality metrics	Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain E 66–201（136 aa） Fragment：ISOPRENYL-BINDING DOMAIN, RESIDUES 66-201	Mutation：YES	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 6.5；2.0 M AMMONIUM SULFATE 0.2 M SODIUM CHLORIDE 0.1 M SODIUM CACODYLATE PH 6.5	Resolution 2.07 Å R-free 0.257
2JHV CRYSTAL STRUCTURE OF RHOGDI E154A,E155A MUTANT Deposited 2007-02-23	Different construct Different experimental conditions Different structure-quality metrics	Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain F 66–201（136 aa） Fragment：ISOPRENYL-BINDING DOMAIN, RESIDUES 66-201	Mutation：YES	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 6.5；2.0 M AMMONIUM SULFATE 0.2 M SODIUM CHLORIDE 0.1 M SODIUM CACODYLATE PH 6.5	Resolution 2.07 Å R-free 0.257
2JHW CRYSTAL STRUCTURE OF RHOGDI E155A, E157A MUTANT Deposited 2007-02-23	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 66–201（136 aa） Fragment：ISOPRENYL-BINDING DOMAIN, RESIDUES 66-201	Mutation：YES	SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；2M AMMONIUM SULFATE, pH 8.00	Resolution 2.50 Å R-free 0.261
2JHW CRYSTAL STRUCTURE OF RHOGDI E155A, E157A MUTANT Deposited 2007-02-23	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 66–201（136 aa） Fragment：ISOPRENYL-BINDING DOMAIN, RESIDUES 66-201	Mutation：YES	SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；2M AMMONIUM SULFATE, pH 8.00	Resolution 2.50 Å R-free 0.261
2JHX CRYSTAL STRUCTURE OF RHOGDI E155H, E157H MUTANT Deposited 2007-02-23	Different construct Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 66–201（136 aa） Fragment：ISOPRENYL-BINDING DOMAIN, RESIDUES 66-201	Mutation：YES	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；1.4 M SODIUM CITRATE 0.1 M HEPES PH 7.5	Resolution 1.60 Å R-free 0.219
2JHX CRYSTAL STRUCTURE OF RHOGDI E155H, E157H MUTANT Deposited 2007-02-23	Different construct Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 66–201（136 aa） Fragment：ISOPRENYL-BINDING DOMAIN, RESIDUES 66-201	Mutation：YES	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；1.4 M SODIUM CITRATE 0.1 M HEPES PH 7.5	Resolution 1.60 Å R-free 0.219
2JHY CRYSTAL STRUCTURE OF RHOGDI E155H, E157H MUTANT Deposited 2007-02-23	Different construct Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 66–201（136 aa） Fragment：ISOPRENYL-BINDING DOMAIN, RESIDUES 66-201	Mutation：YES	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；1.4 M SODIUM CITRATE 0.1 M HEPES PH 7.5	Resolution 1.90 Å R-free 0.250
2JHZ CRYSTAL STRUCTURE OF RHOGDI E155S, E157S MUTANT Deposited 2007-02-23	Different construct Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 66–201（136 aa） Fragment：ISOPRENYL-BINDING DOMAIN, RESIDUES 66-201	Mutation：YES	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；1.4 M SODIUM CITRATE 0.1 M HEPES PH 7.5	Resolution 2.20 Å R-free 0.228
2JHZ CRYSTAL STRUCTURE OF RHOGDI E155S, E157S MUTANT Deposited 2007-02-23	Different construct Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 66–201（136 aa） Fragment：ISOPRENYL-BINDING DOMAIN, RESIDUES 66-201	Mutation：YES	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；1.4 M SODIUM CITRATE 0.1 M HEPES PH 7.5	Resolution 2.20 Å R-free 0.228
2JI0 CRYSTAL STRUCTURE OF RHOGDI K138Y, K141Y MUTANT Deposited 2007-02-23	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 66–201（136 aa） Fragment：ISOPRENYL-BINDING DOMAIN, RESIDUES 66-201	Mutation：YES	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；32% PEG 8000, 0.22M AMMONIUM SULFATE, 0.1 M SODIUM CACODYLATE PH6.5, pH 7.50	Resolution 2.10 Å R-free 0.259
2N80 p75NTR DD:RhoGDI Deposited 2015-09-30	Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 31–204（174 aa） Fragment：UNP residues 31-204	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 6.9；301 K；Ionic strength (raw mmCIF value) 10；Pressure ambient NMR sample composition 0.5 mM [U-99% 13C; U-99% 15N] p75NTR DD-1, 1 mM [U-98% 2H] DTT-2, 10 mM [U-98% 2H] HEPES-3, 1 mM EDTA-4, 1 mM sodium azide-5, 2 mM RhoGDI-6, 95% H2O/5% D2O \| 95% H2O/5% D2O NMR sample composition 0.5 mM [U-99% 13C; U-99% 15N] RhoGDI-7, 2 mM p75NTR DD-8, 1 mM [U-98% 2H] DTT-9, 10 mM [U-98% 2H] HEPES-10, 1 mM EDTA-11, 1 mM sodium azide-12, 95% H2O/5% D2O \| 95% H2O/5% D2O	Resolution not provided
8X8T NMR structure of p75NTR juxtamembrane domain in complex with RhoGDI N-terminal domain containing a phosphorylation-mimicking S34D mutation Deposited 2023-11-28	Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 2–60（59 aa）	Mutation：S34D	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 6.8；293 K；Ionic strength (raw mmCIF value) 10；Pressure 1 NMR sample composition 0.8 mM [U-13C; U-15N] RhoGDI-NTD, 2.4 mM NA p75NTR-JMD, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR sample composition 0.8 mM [U-13C; U-15N] p75NTR-JMD, 2.4 mM NA RhoGDI-NTD, 90% H2O/10% D2O \| 90% H2O/10% D2O	Resolution not provided

20 other PDB entries and 52 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	GDIR_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 4–141； UniProt 67–204 Author chain B； PDBConstruct 4–141； UniProt 67–204

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	2bxw
Deposition date deposition_date	2005-07-27
Structure title title	CRYSTAL STRUCTURE OF RHOGDI Lys(135,138,141)Tyr MUTANT
Keywords keywords	INHIBITOR, CRYSTAL ENGINEERING, RATIONAL SURFACE MUTAGENESIS, GTPASE ACTIVATION; 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	25.40 Å
Radius of gyration Rg (electron density) rg_electron	24.93 Å
Forward intensity I(0) i0	16882900.00
Molecular weight molecular_weight	31932.0 kDa
Excluded volume excluded_volume	40257 Å³
Envelope volume envelope_volume	49063 Å³
Hydration-shell volume shell_volume	18448 Å³
Envelope diameter envelope_diameter	91.3 Å
Shell Rg shell_rg	28.92 Å
Envelope Rg envelope_rg	25.42 Å
Shape Rg shape_rg	24.88 Å
Total Rg total_rg	25.59 Å
Total atoms total_atoms	2252
Residues n_residues	276
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	89.5 Å
Rg (real space) rg_real	25.76 Å
Rg uncertainty (real space) rg_real_error	0.92 Å
I(0) (real space) i0_real	1.6880e+07
I(0) uncertainty (real space) i0_real_error	2.4570e+05
Rg (reciprocal space) rg_reciprocal	25.65 Å
I(0) (reciprocal space) i0_reciprocal	16880000.0000
Solution quality estimate total_estimate	0.7634
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	21.7 Å
Skewness Skewness skewness	0.658
Kurtosis Kurtosis kurtosis	-0.167
Angular range angular_range	— – 0.3100 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	4830000.0000
Real-space data points n_real_points	63
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.543; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.505; Smooth: 0.787

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (4)

Entity 1 Entity 1 polymer

Description description	RHO GDP-DISSOCIATION INHIBITOR 1
Molecular weight formula_weight	16199.4 kDa
Mutation mutation	YES
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	2465

GAMVPNVVVTGLTLVCSSAPGPLELDLTGDLESFKKQSFVLKEGVEYRIKISFRVNREIVSGMKYIQHTYRYGVYIDYTDYMVGSYGPRAEEYEFLTPVEEAPKGMLARGSYSIKSRFTDDDKTDHLSWEWNLTIKKDWKD

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

Entity 2 Entity 2 non-polymer

Description description	FORMIC ACID
Molecular weight formula_weight	46.0 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 3 Entity 3 non-polymer

Description description	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
Molecular weight formula_weight	122.1 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 4 Entity 4 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	213

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7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_id	d2bxwa_
Class class	b — All beta proteins
Fold Fold fold	b.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamily	b.1.18 — E set domains
Family Family family	b.1.18.8 — RhoGDI-like

Domain ID domain_id	d2bxwb_
Class class	b — All beta proteins
Fold Fold fold	b.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamily	b.1.18 — E set domains
Family Family family	b.1.18.8 — RhoGDI-like

CATH v4.4 (2 domains)

Domain ID domain_id	2bxwA00
Class class	2 — Mainly Beta
Architecture architecture	70 — Distorted Sandwich
Topology topology	50 — Coagulation Factor XIII; Chain A, domain 1
Homologous superfamily homologous superfamily	30 — Coagulation Factor XIII, subunit A, domain 1

Domain ID domain_id	2bxwB00
Class class	2 — Mainly Beta
Architecture architecture	70 — Distorted Sandwich
Topology topology	50 — Coagulation Factor XIII; Chain A, domain 1
Homologous superfamily homologous superfamily	30 — Coagulation Factor XIII, subunit A, domain 1

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8. Citations (1)

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Unit-cell length a length_a	77.308 Å
Unit-cell length b length_b	77.308 Å
Unit-cell length c length_c	171.659 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	12

Space group space_group	P 31 2 1
Space-group number int_tables_number	152
Crystal system crystal_system	—

Resolution resolution	2.400 Å
Low-resolution limit resolution_low	66.960 Å
R factor r_factor	0.1800
R_work r_work	0.1780
R_free r_free	0.2220

fit	/app/data/saxs_computation/bx/2bxw/2bxw.fit
pddf	/app/data/pr_computation/bx/2bxw/2bxw.pr.out
profile	/app/data/saxs_computation/bx/2bxw/2bxw.dat