SAXSdb — 4fi3

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

Vitamin B12 import system permease protein BtuC

Escherichia coli

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein heterocomplex Heteromer Protein × 5 PDB declaration: pentameric（5） Consistent with protein copy count	Chain A； UniProt 1–326 Chain B； UniProt 1–326	Mutation：C18S, C32S, C120S, C156S, C205S, C206S, C267S	Vitamin B12 import ATP-binding protein BtuD × 2 （P06611） Vitamin B12-binding protein × 1 （P37028） ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 6.8；293 K；20-30% PEG400, 100 mM ADA pH6.8, 100 mM Na/K-citrate, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 3.47 Å R-free 0.274

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 4FI3	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1L7V Bacterial ABC Transporter Involved in B12 Uptake Deposited 2002-03-18	Different mutation/modification 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 1–326（326 aa） Chain B 1–326（326 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF)	V4O CYCLO-TETRAMETAVANADATE × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；278 K；PEG 2000, LDAO, Tris, magnesium nitrate, MPD, D2O, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 278K	Resolution 3.20 Å R-free 0.286
2QI9 ABC-transporter BtuCD in complex with its periplasmic binding protein BtuF Deposited 2007-07-03	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain A 1–326（326 aa） Chain B 1–326（326 aa）	Mutation：C18S, C32S, C120S, C156S, C205S, C206S, C267S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：C18S, C32S, C120S, C156S, C205S, C206S, C267S Non-standard monomer：Yes (specific site not provided by mmCIF)	PO4 PHOSPHATE ION × 2 SO4 SULFATE ION × 6 1PE PENTAETHYLENE GLYCOL × 2 PEG DI(HYDROXYETHYL)ETHER × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.4；293 K；30-38% (w/v) polyethylene glycol 400, 50mM either of Tris‑HCl pH 8.4 or Glycine-NaOH pH 9.4 and 400mM (NH4)2SO4., VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.60 Å R-free 0.280
4DBL Crystal structure of E159Q mutant of BtuCDF Deposited 2012-01-16	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain A 1–326（326 aa） Chain B 1–326（326 aa）	Mutation：C18S, C32S, C120S, C156S, C205S, C206S, C267S Mutation：C18S, C32S, C120S, C156S, C205S, C206S, C267S	PO4 PHOSPHATE ION × 2 SO4 SULFATE ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.4；293 K；0.1M sodium citrate, pH 5.4, 0.3-0.4M ammonium sulphate, 30-35% PEG-400, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 3.49 Å R-free 0.251
4DBL Crystal structure of E159Q mutant of BtuCDF Deposited 2012-01-16	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain F 1–326（326 aa） Chain G 1–326（326 aa）	Mutation：C18S, C32S, C120S, C156S, C205S, C206S, C267S Mutation：C18S, C32S, C120S, C156S, C205S, C206S, C267S	PO4 PHOSPHATE ION × 2 SO4 SULFATE ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.4；293 K；0.1M sodium citrate, pH 5.4, 0.3-0.4M ammonium sulphate, 30-35% PEG-400, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 3.49 Å R-free 0.251
4R9U Structure of vitamin B12 transporter BtuCD in a nucleotide-bound outward facing state Deposited 2014-09-08	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 1–326（326 aa） Chain B 1–326（326 aa）	Mutation：C18S, C32S, C120S, C156S, C205S, C206S, C267S Mutation：C18S, C32S, C120S, C156S, C205S, C206S, C267S	LDA LAURYL DIMETHYLAMINE-N-OXIDE × 4 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；283 K；PEG2000MME (14-18%), NaCl (1.2 M), ADA (100 mM, pH 6.9), VAPOR DIFFUSION, SITTING DROP, temperature 283K	Resolution 2.79 Å R-free 0.246

4 other PDB entries and 5 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	BTUC_ECOLI
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 24–349； UniProt 1–326 Author chain B； PDBConstruct 24–349； UniProt 1–326

Vitamin B12 import ATP-binding protein BtuD

Escherichia coli

UniProt P06611

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein heterocomplex Heteromer Protein × 5 PDB declaration: pentameric（5） Consistent with protein copy count	Chain C； UniProt 1–249 Chain D； UniProt 1–249	Mutation：C180S, E159Q, N162C	Vitamin B12 import system permease protein BtuC × 2 （P06609） Vitamin B12-binding protein × 1 （P37028） ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 6.8；293 K；20-30% PEG400, 100 mM ADA pH6.8, 100 mM Na/K-citrate, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 3.47 Å R-free 0.274

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 4FI3	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1L7V Bacterial ABC Transporter Involved in B12 Uptake Deposited 2002-03-18	Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 1–249（249 aa） Chain D 1–249（249 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF)	V4O CYCLO-TETRAMETAVANADATE × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；278 K；PEG 2000, LDAO, Tris, magnesium nitrate, MPD, D2O, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 278K	Resolution 3.20 Å R-free 0.286
2QI9 ABC-transporter BtuCD in complex with its periplasmic binding protein BtuF Deposited 2007-07-03	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain C 1–249（249 aa） Chain D 1–249（249 aa）	Mutation：C180S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：C180S Non-standard monomer：Yes (specific site not provided by mmCIF)	PO4 PHOSPHATE ION × 2 SO4 SULFATE ION × 6 1PE PENTAETHYLENE GLYCOL × 2 PEG DI(HYDROXYETHYL)ETHER × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.4；293 K；30-38% (w/v) polyethylene glycol 400, 50mM either of Tris‑HCl pH 8.4 or Glycine-NaOH pH 9.4 and 400mM (NH4)2SO4., VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.60 Å R-free 0.280
4DBL Crystal structure of E159Q mutant of BtuCDF Deposited 2012-01-16	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain C 1–249（249 aa） Chain D 1–249（249 aa）	Mutation：C180S Mutation：C180S	PO4 PHOSPHATE ION × 2 SO4 SULFATE ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.4；293 K；0.1M sodium citrate, pH 5.4, 0.3-0.4M ammonium sulphate, 30-35% PEG-400, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 3.49 Å R-free 0.251
4DBL Crystal structure of E159Q mutant of BtuCDF Deposited 2012-01-16	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain H 1–249（249 aa） Chain I 1–249（249 aa）	Mutation：C180S Mutation：C180S	PO4 PHOSPHATE ION × 2 SO4 SULFATE ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.4；293 K；0.1M sodium citrate, pH 5.4, 0.3-0.4M ammonium sulphate, 30-35% PEG-400, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 3.49 Å R-free 0.251
4R9U Structure of vitamin B12 transporter BtuCD in a nucleotide-bound outward facing state Deposited 2014-09-08	Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 1–249（249 aa） Chain D 1–249（249 aa）	Mutation：C180S, E159Q, N162C Mutation：C180S, E159Q, N162C	LDA LAURYL DIMETHYLAMINE-N-OXIDE × 4 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；283 K；PEG2000MME (14-18%), NaCl (1.2 M), ADA (100 mM, pH 6.9), VAPOR DIFFUSION, SITTING DROP, temperature 283K	Resolution 2.79 Å R-free 0.246

4 other PDB entries and 5 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	BTUD_ECOLI
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain C； PDBConstruct 1–249； UniProt 1–249 Author chain D； PDBConstruct 1–249； UniProt 1–249

Vitamin B12-binding protein

Escherichia coli

UniProt P37028

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein heterocomplex Heteromer Protein × 5 PDB declaration: pentameric（5） Consistent with protein copy count	Chain F； UniProt 22–266	Fragment：UNP residues 22-266	Vitamin B12 import system permease protein BtuC × 2 （P06609） Vitamin B12 import ATP-binding protein BtuD × 2 （P06611） ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 6.8；293 K；20-30% PEG400, 100 mM ADA pH6.8, 100 mM Na/K-citrate, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 3.47 Å R-free 0.274

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 4FI3	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1N2Z 2.0 Angstrom structure of BtuF, the vitamin B12 binding protein of E. coli Deposited 2002-10-24	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 22–266（245 aa）	Not recorded	CD CADMIUM ION × 13 CL CHLORIDE ION × 4 CNC CYANOCOBALAMIN × 1 PG4 TETRAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.00 Å R-free 0.210
1N2Z 2.0 Angstrom structure of BtuF, the vitamin B12 binding protein of E. coli Deposited 2002-10-24	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 22–266（245 aa）	Not recorded	CD CADMIUM ION × 9 CL CHLORIDE ION × 2 CNC CYANOCOBALAMIN × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.00 Å R-free 0.210
1N2Z 2.0 Angstrom structure of BtuF, the vitamin B12 binding protein of E. coli Deposited 2002-10-24	Different construct Different mutation/modification 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 22–266（245 aa） Chain B 22–266（245 aa）	Not recorded	CD CADMIUM ION × 22 CL CHLORIDE ION × 6 CNC CYANOCOBALAMIN × 2 PG4 TETRAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.00 Å R-free 0.210
1N2Z 2.0 Angstrom structure of BtuF, the vitamin B12 binding protein of E. coli Deposited 2002-10-24	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 22–266（245 aa） Chain B 22–266（245 aa）	Not recorded	CD CADMIUM ION × 22 CL CHLORIDE ION × 6 CNC CYANOCOBALAMIN × 2 PG4 TETRAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.00 Å R-free 0.210
1N4A The Ligand Bound Structure of E.coli BtuF, the Periplasmic Binding Protein for Vitamin B12 Deposited 2002-10-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–266（244 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	CNC CYANOCOBALAMIN × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；294 K；NaCl, ethanol, acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 294K	Resolution 2.00 Å R-free 0.261
1N4A The Ligand Bound Structure of E.coli BtuF, the Periplasmic Binding Protein for Vitamin B12 Deposited 2002-10-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 23–266（244 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	CNC CYANOCOBALAMIN × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；294 K；NaCl, ethanol, acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 294K	Resolution 2.00 Å R-free 0.261
1N4D The Ligand-Free Structure of E coli BtuF, the Periplasmic Binding Protein for Vitamin B12 Deposited 2002-10-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–266（244 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；294 K；acetate, PEG4000, (NH4)OAc, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 294K	Resolution 3.00 Å R-free 0.298
1N4D The Ligand-Free Structure of E coli BtuF, the Periplasmic Binding Protein for Vitamin B12 Deposited 2002-10-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 23–266（244 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；294 K；acetate, PEG4000, (NH4)OAc, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 294K	Resolution 3.00 Å R-free 0.298
2QI9 ABC-transporter BtuCD in complex with its periplasmic binding protein BtuF Deposited 2007-07-03	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain F 22–266（245 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	PO4 PHOSPHATE ION × 2 SO4 SULFATE ION × 6 1PE PENTAETHYLENE GLYCOL × 2 PEG DI(HYDROXYETHYL)ETHER × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.4；293 K；30-38% (w/v) polyethylene glycol 400, 50mM either of Tris‑HCl pH 8.4 or Glycine-NaOH pH 9.4 and 400mM (NH4)2SO4., VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.60 Å R-free 0.280
4DBL Crystal structure of E159Q mutant of BtuCDF Deposited 2012-01-16	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain E 22–266（245 aa）	Not recorded	PO4 PHOSPHATE ION × 2 SO4 SULFATE ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.4；293 K；0.1M sodium citrate, pH 5.4, 0.3-0.4M ammonium sulphate, 30-35% PEG-400, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 3.49 Å R-free 0.251
4DBL Crystal structure of E159Q mutant of BtuCDF Deposited 2012-01-16	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain J 22–266（245 aa）	Not recorded	PO4 PHOSPHATE ION × 2 SO4 SULFATE ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.4；293 K；0.1M sodium citrate, pH 5.4, 0.3-0.4M ammonium sulphate, 30-35% PEG-400, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 3.49 Å R-free 0.251
5M29 Structure of cobinamide-bound BtuF, the periplasmic vitamin B12 binding protein in E.coli Deposited 2016-10-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 22–266（245 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	CBY COB(II)INAMIDE × 1 CYN CYANIDE ION × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；HEPES sodium pH 7.0 PEG3350 Tryptone	Resolution 1.50 Å R-free 0.213
5M29 Structure of cobinamide-bound BtuF, the periplasmic vitamin B12 binding protein in E.coli Deposited 2016-10-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 22–266（245 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	CBY COB(II)INAMIDE × 1 CYN CYANIDE ION × 2 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；HEPES sodium pH 7.0 PEG3350 Tryptone	Resolution 1.50 Å R-free 0.213
5M2Q Structure of cobinamide-bound BtuF mutant W66F, the periplasmic vitamin B12 binding protein in E.coli Deposited 2016-10-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 22–266（245 aa）	Mutation：W66F	CBY COB(II)INAMIDE × 1 CYN CYANIDE ION × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；PEG3350 HEPES pH 7 Tryptone	Resolution 1.70 Å R-free 0.249
5M2Q Structure of cobinamide-bound BtuF mutant W66F, the periplasmic vitamin B12 binding protein in E.coli Deposited 2016-10-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain B 22–266（245 aa）	Mutation：W66F	CBY COB(II)INAMIDE × 1 CYN CYANIDE ION × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；PEG3350 HEPES pH 7 Tryptone	Resolution 1.70 Å R-free 0.249
5M34 Structure of cobinamide-bound BtuF mutant W66Y, the periplasmic vitamin B12 binding protein in E.coli Deposited 2016-10-14	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 22–266（245 aa）	Not recorded	CBY COB(II)INAMIDE × 1 CYN CYANIDE ION × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；PEG3350 HEPES pH 7 Tryptone	Resolution 1.60 Å R-free 0.233
5M34 Structure of cobinamide-bound BtuF mutant W66Y, the periplasmic vitamin B12 binding protein in E.coli Deposited 2016-10-14	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 22–266（245 aa）	Not recorded	CBY COB(II)INAMIDE × 1 CYN CYANIDE ION × 2 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；PEG3350 HEPES pH 7 Tryptone	Resolution 1.60 Å R-free 0.233
5M3B Structure of cobinamide-bound BtuF mutant W66L, the periplasmic vitamin B12 binding protein in E.coli Deposited 2016-10-14	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 22–266（245 aa）	Not recorded	CYN CYANIDE ION × 2 CBY COB(II)INAMIDE × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；PEG3350 HEPES pH 7 Tryptone	Resolution 1.50 Å R-free 0.229
5M3B Structure of cobinamide-bound BtuF mutant W66L, the periplasmic vitamin B12 binding protein in E.coli Deposited 2016-10-14	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 22–266（245 aa）	Not recorded	CYN CYANIDE ION × 1 CBY COB(II)INAMIDE × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；PEG3350 HEPES pH 7 Tryptone	Resolution 1.50 Å R-free 0.229
5OVW Nanobody-bound BtuF, the vitamin B12 binding protein in Escherichia coli Deposited 2017-08-30	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 22–266（245 aa）	Not recorded	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；PEG4000, Tris-HCl, Magnesium chloride	Resolution 2.65 Å R-free 0.259
5OVW Nanobody-bound BtuF, the vitamin B12 binding protein in Escherichia coli Deposited 2017-08-30	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 22–266（245 aa）	Not recorded	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；PEG4000, Tris-HCl, Magnesium chloride	Resolution 2.65 Å R-free 0.259
5OVW Nanobody-bound BtuF, the vitamin B12 binding protein in Escherichia coli Deposited 2017-08-30	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 22–266（245 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；PEG4000, Tris-HCl, Magnesium chloride	Resolution 2.65 Å R-free 0.259
5OVW Nanobody-bound BtuF, the vitamin B12 binding protein in Escherichia coli Deposited 2017-08-30	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 22–266（245 aa）	Not recorded	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；PEG4000, Tris-HCl, Magnesium chloride	Resolution 2.65 Å R-free 0.259
5OVW Nanobody-bound BtuF, the vitamin B12 binding protein in Escherichia coli Deposited 2017-08-30	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 22–266（245 aa）	Not recorded	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；PEG4000, Tris-HCl, Magnesium chloride	Resolution 2.65 Å R-free 0.259
5OVW Nanobody-bound BtuF, the vitamin B12 binding protein in Escherichia coli Deposited 2017-08-30	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 6 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain F 22–266（245 aa）	Not recorded	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；PEG4000, Tris-HCl, Magnesium chloride	Resolution 2.65 Å R-free 0.259

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

View Construct and Data Evidence

UniProt name	BTUF_ECOLI
Isoform	—
PDB entities	3
Chains and sequence ranges	Author chain F； PDBConstruct 2–246； UniProt 22–266

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	4fi3
Deposition date deposition_date	2012-06-07
Structure title title	Structure of vitamin B12 transporter BtuCD-F in a nucleotide-bound state
Keywords keywords	ABC transporter, Vitamin B12 transport, ATP binding, Membrane, 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	38.09 Å
Radius of gyration Rg (electron density) rg_electron	37.48 Å
Forward intensity I(0) i0	320514000.00
Molecular weight molecular_weight	151150.0 kDa
Excluded volume excluded_volume	191990 Å³
Envelope volume envelope_volume	245230 Å³
Hydration-shell volume shell_volume	55312 Å³
Envelope diameter envelope_diameter	131.8 Å
Shell Rg shell_rg	43.24 Å
Envelope Rg envelope_rg	37.18 Å
Shape Rg shape_rg	37.49 Å
Total Rg total_rg	37.81 Å
Total atoms total_atoms	10635
Residues n_residues	1389
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	124.7 Å
Rg (real space) rg_real	38.24 Å
Rg uncertainty (real space) rg_real_error	0.94 Å
I(0) (real space) i0_real	3.2050e+08
I(0) uncertainty (real space) i0_real_error	5.4250e+06
Rg (reciprocal space) rg_reciprocal	38.15 Å
I(0) (reciprocal space) i0_reciprocal	320500000.0000
Solution quality estimate total_estimate	0.8687
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	38.6 Å
Skewness Skewness skewness	0.441
Kurtosis Kurtosis kurtosis	-0.364
Angular range angular_range	— – 0.2100 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	80750000.0000
Real-space data points n_real_points	43
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.866; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.991; Smooth: 0.698

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Description description	Vitamin B12 import system permease protein BtuC
Molecular weight formula_weight	37650.6 kDa
Mutation mutation	C18S, C32S, C120S, C156S, C205S, C206S, C267S
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	10635

MGHHHHHHHHHHSSGENLYFQGHMLTLARQQQRQNIRWLLSLSVLMLLALLLSLSAGEQWISPGDWFTPRGELFVWQIRLPRTLAVLLVGAALAISGAVMQALFENPLAEPGLLGVSNGAGVGLIAAVLLGQGQLPNWALGLSAIAGALIITLILLRFARRHLSTSRLLLAGVALGIISSALMTWAIYFSTSVDLRQLMYWMMGGFGGVDWRQSWLMLALIPVLLWISSQSRPMNMLALGEISARQLGLPLWFWRNVLVAATGWMVGVSVALAGAIGFIGLVIPHILRLSGLTDHRVLLPGCALAGASALLLADIVARLALAAAELPIGVVTATLGAPVFIWLLLKAGR

来源 Source

来源生物 organism	Escherichia coli
NCBI Class编号 ncbi_taxonomy_id	83333
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 polymer

Description description	Vitamin B12 import ATP-binding protein BtuD
Molecular weight formula_weight	27086.2 kDa
EC 编号 ec_number	3.6.3.33
Mutation mutation	C180S, E159Q, N162C
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	C,D

MSIVMQLQDVAESTRLGPLSGEVRAGEILHLVGPNGAGKSTLLARMAGMTSGKGSIQFAGQPLEAWSATKLALHRAYLSQQQTPPFATPVWHYLTLHQHDKTRTELLNDVAGALALDDKLGRSTNQLSGGEWQRVRLAAVVLQITPQANPAGQLLLLDQPMCSLDVAQQSALDKILSALSQQGLAIVMSSHDLNHTLRHAHRAWLLKGGKMLASGRREEVLTPPNLAQAYGMNFRRLDIEGHRMLISTI

来源 Source

来源生物 organism	Escherichia coli
NCBI Class编号 ncbi_taxonomy_id	83333
宿主生物 host_organism	Escherichia coli

Entity 3 Entity 3 polymer

Description description	Vitamin B12-binding protein
Molecular weight formula_weight	28238.1 kDa
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	F

MAAPRVITLSPANTELAFAAGITPVGVSSYSDYPPQAQKIEQVSTWQGMNLERIVALKPDLVIAWRGGNAERQVDQLASLGIKVMWVDATSIEQIANALRQLAPWSPQPDKAEQAAQSLLDQYAQLKAQYADKPKKRVFLQFGINPPFTSGKESIQNQVLEVCGGENIFKDSRVPWPQVSREQVLARSPQAIVITGGPDQIPKIKQYWGEQLKIPVIPLTSDWFERASPRIILAAQQLCNALSQVDSGSHHHHHH

来源 Source

来源生物 organism	Escherichia coli
NCBI Class编号 ncbi_taxonomy_id	83333
宿主生物 host_organism	Escherichia coli

Entity 4 Entity 4 non-polymer

Description description	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Molecular weight formula_weight	506.2 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 5 Entity 5 non-polymer

Description description	MAGNESIUM ION
Molecular weight formula_weight	24.3 kDa
Source method src_method	syn
Copy count entity_count	2

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7. Fold Classification (SCOP + CATH) 6 domains

CATH v4.4 (6 domains)

Domain ID domain_id	4fi3A00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	3470 — ABC transporter involved in vitamin B12 uptake, BtuC
Homologous superfamily homologous superfamily	10 — ABC transporter involved in vitamin B12 uptake, BtuC

Domain ID domain_id	4fi3B00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	3470 — ABC transporter involved in vitamin B12 uptake, BtuC
Homologous superfamily homologous superfamily	10 — ABC transporter involved in vitamin B12 uptake, BtuC

Domain ID domain_id	4fi3C00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	300 — P-loop containing nucleotide triphosphate hydrolases

Domain ID domain_id	4fi3D00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	300 — P-loop containing nucleotide triphosphate hydrolases

Domain ID domain_id	4fi3F01
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	1980 — Nitrogenase molybdenum iron protein domain

Domain ID domain_id	4fi3F02
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	1980 — Nitrogenase molybdenum iron protein domain

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8. Citations (1)

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Unit-cell length a length_a	127.730 Å
Unit-cell length b length_b	211.990 Å
Unit-cell length c length_c	179.100 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	3.466 Å
Low-resolution limit resolution_low	30.000 Å
R factor r_factor	0.2323
R_work r_work	0.2293
R_free r_free	0.2738

fit	/app/data/saxs_computation/fi/4fi3/4fi3.fit
pddf	/app/data/pr_computation/fi/4fi3/4fi3.pr.out
profile	/app/data/saxs_computation/fi/4fi3/4fi3.dat

Structure of vitamin B12 transporter BtuCD-F in a nucleotide-bound state

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

Vitamin B12 import system permease protein BtuC

State in the Current Structure

Other States of the Same Protein in the Database

Vitamin B12 import ATP-binding protein BtuD

State in the Current Structure

Other States of the Same Protein in the Database

Vitamin B12-binding protein

State in the Current Structure

Other States of the Same Protein in the Database

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

2. Structure Basics 2. Structure Basics

3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

5. Crystallography and Experiment 5. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

6. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 polymer

Polymer Polymer

来源 Source

Entity 3 Entity 3 polymer

Polymer Polymer

来源 Source

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 non-polymer

7. Fold Classification (SCOP + CATH) 6 domains

CATH v4.4 (6 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)