2p1s

Crystal structure of the C-terminal lobe of bovine lactoferrin complexed with O-alpha-D-Glucopyranosyl-(1 3)-alpha-D-fructofuranosyl- (2 1)- alpha-D-glucopyranoside at 1.93 A resolution

Method: X-RAY DIFFRACTION D_max: 66.2 Å Quality: GOOD

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

Lactotransferrin

OrganismNot specified

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Other combination Monomer Protein × 1 其他Polymer 3 PDB declaration: monomeric（1） Consistent with protein copy count	Chain A； UniProt 361–704	Fragment：c-terminal lobe(residues 342-685)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ;alpha-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose ; × 1 alpha-D-galactopyranose-(1-2)-alpha-D-fructofuranose-(1-3)-alpha-D-glucopyranose × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 ZN ZINC ION × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 6.8；298 K；0.1M HEPES, 0.2M ZnSO4, 20% PEG monomethyl ether, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.93 Å R-free 0.217

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 2P1S	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1BLF STRUCTURE OF DIFERRIC BOVINE LACTOFERRIN AT 2.8 ANGSTROMS RESOLUTION Deposited 1997-08-20	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 20–708（689 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 FE FE (III) ION × 2 CO3 CARBONATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions dialaysis；pH 7.7；277 K；25 MM TRIS/HCL, PH 7.7 8% (V/V) MPD 6.5% (V/V) ETHANOL DIALYSED AGAINST A 200 MG/ML SOLUTION OF PROTEIN AT 277 K., dialaysis	Resolution 2.80 Å R-free 0.280
1LFC BOVINE LACTOFERRICIN (LFCINB), NMR, 20 STRUCTURES Deposited 1998-06-24	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 36–60（25 aa） Fragment：RESIDUES 17 - 41 OF INTACT LACTOFERRIN	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 4.5；298 K；Pressure 1 NMR sample composition WATER	Resolution not provided
1NKX CRYSTAL STRUCTURE OF A PROTEOLYTICALLY GENERATED FUNCTIONAL MONOFERRIC C-LOBE OF BOVINE LACTOFERRIN AT 1.9A RESOLUTION Deposited 2003-01-06	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–708（348 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 FE FE (III) ION × 1 ZN ZINC ION × 2 CO3 CARBONATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；298 K；0.1M MES, 25% POLYETHYLENE GLYCOL MONOMETHYL ETHER 550 AND 0.01 M ZINC SULPHATE, pH 6.5, VAPOR DIFFUSION, temperature 298K	Resolution 1.90 Å R-free 0.222
1SDX Crystal structure of the zinc saturated C-terminal half of bovine lactoferrin at 2.0 A resolution reveals two additional zinc binding sites Deposited 2004-02-15	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 361–695（335 aa） Fragment：C-lobe Chain E 700–704（5 aa） Fragment：residues 681-685	Mutation：N224K, K267E	ZN ZINC ION × 3 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；298 K；0.1M MES, 25% polyethylene glycol monomethylether 550, 0.01M zinc sulphate heptahydrate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.06 Å R-free 0.210
2ALU Detection of new binding site in the C-terminal lobe of lactoferrin:Crystal structure of the complex formed between bovine lactoferrin and a tetrasaccharide at 2.1A resolution Deposited 2005-08-08	Different construct Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–708（348 aa） Fragment：C-lobe	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ZN ZINC ION × 2 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1M MES, 25% POLYETHYLENE GLYCOLMONOMETHYL ETHER 550, 0.01M ZINC SULPHATE, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.09 Å R-free 0.212
2AYS A conserved non-metallic binding site in the C-terminal lobe of lactoferrin: Structure of the complex of C-terminal lobe of bovine lactoferrin with N-acetyl galactosamine at 1.86 A resolution Deposited 2005-09-08	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–708（348 aa） Fragment：Lactoferrin lobe	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 A2G 2-acetamido-2-deoxy-alpha-D-galactopyranose × 1 ZN ZINC ION × 2 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1M MES, 25% POLYETHYLENE GLYCOL MONOMETHYL ETHER 550, 0.01M ZINC SULPHATE , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.86 Å R-free 0.209
2B65 Crystal structure of the complex of C-lobe of bovine lactoferrin with maltose at 1.5A resolution Deposited 2005-09-30	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：residues 342-686	Not recorded	CO3 CARBONATE ION × 1 FE FE (III) ION × 1 ZN ZINC ION × 3 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；298 K；0.1M MES, 25% POLYETHYLENE GLYCOL MONOMETHYL ETHER 550, 0.01M ZINC SULPHATE, pH 6.5, VAPOR DIFFUSION, temperature 298K	Resolution 1.50 Å R-free 0.219
2DOJ Crystal structure of the complex of C-terminal lobe of bovine lactoferrin with adenosine at 2.4 A resolution Deposited 2006-04-30	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：C-lobe (RESIDUES 342-686)	Not recorded	SO4 SULFATE ION × 1 ZN ZINC ION × 2 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 ADN ADENOSINE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1M MES, PEG, MONOMETHYLETHER, 0.1M ZNSO4 , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.40 Å R-free 0.223
2DP8 Carbohydrate recognition by lactoferrin: Crystal structure of the complex of C-terminal lobe of bovine lactoferrin with trisaccharide at 2.5 A resolution Deposited 2006-05-08	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：C lobe(residues 342-686)	Not recorded	FE FE (III) ION × 1 CO3 CARBONATE ION × 1 ZN ZINC ION × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1M MES, 25% POLYETHYLENE, GLYCOLMONOMETHYL ETHER 550, 0.01M ZINC SULPHATE, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.50 Å R-free 0.200
2DQV Structure of the C-terminal lobe of bovine lactoferrin in complex with galactose at 2.7 A resolution Deposited 2006-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：C-lobe(residues 342-686)	Not recorded	GAL beta-D-galactopyranose × 1 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 ZN ZINC ION × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1M MES, 25% POLYETHYLENE, GLYCOLMONOMETHYL ETHER 550, 0.01M ZINC SULPHATE, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.70 Å R-free 0.217
2DS9 Structure of the complex of C-terminal lobe of bovine lactoferrin with mannose at 2.8 A resolution Deposited 2006-06-22	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：C-lobe(residues 342-686)	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 MAN alpha-D-mannopyranose × 1 ZN ZINC ION × 2 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.8；298 K；PEG 3350 monomethyl ether, ZnSO4, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.80 Å R-free 0.228
2DSF Structure of the complex of C-terminal lobe of bovine lactoferrin with xylose at 2.8A resolution Deposited 2006-06-29	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：C-lobe(residues 342-686)	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 LXC beta-L-xylopyranose × 1 ZN ZINC ION × 2 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；298 K；PEG 3350, HEPES, ZnSO4, pH 6.5, VAPOR DIFFUSION, temperature 298K	Resolution 2.80 Å R-free 0.231
2DVC Structure of the bovine lactoferrin C-lobe complex with sucrose at 3.0 A resolution Deposited 2006-07-31	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：residues 342-686	Not recorded	FE FE (III) ION × 1 CO3 CARBONATE ION × 1 ZN ZINC ION × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；298 K；0.1M MES, 25% POLYETHYLENE GLYCOL MONOMETHYL ETHER 550, 0.01 M ZINC SULPHATE, pH 6.5, VAPOR DIFFUSION, temperature 298K	Resolution 3.00 Å R-free 0.218
2DWA Structure of the complex of lactoferrin C-terminal half with fucose at 2.07 A resolution Deposited 2006-08-09	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：residues 342-686	Not recorded	FUC alpha-L-fucopyranose × 1 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 ZN ZINC ION × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；298 K；0.1M MES, 25% POLYETHYLENE GLYCOL MONOMETHYL ETHER 550, 0.01M ZINC SULPHATE, pH 6.5, VAPOR DIFFUSION, temperature 298K	Resolution 2.07 Å R-free 0.209
2DWH Crystal structure of N-acetylglucosamine complex of bovine lactoferrin C-lobe at 2.8 A resolution Deposited 2006-08-12	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：residues 342-686	Mutation：N565K, K608E	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 FE FE (III) ION × 1 ZN ZINC ION × 2 SO4 SULFATE ION × 1 CO3 CARBONATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；298 K；0.1M MES, 25% POLYETHYLENE GLYCOL MONOMETHYL ETHER 550, 0.01M ZINC SULPHATE, pH 6.5, VAPOR DIFFUSION, temperature 298K	Resolution 2.80 Å R-free 0.228
2DWI Crystal structure of the complex formed between C-terminal half of bovine lactoferrin and cellobiose at 2.2 A resolution Deposited 2006-08-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：residues 342-686	Mutation：N565K, K608E	FE FE (III) ION × 1 CO3 CARBONATE ION × 1 ZN ZINC ION × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；298 K；0.1M MES, 25% POLYETHYLENE GLYCOL MONOMETHYL ETHER 550, 0.01M ZINC SULPHATE, pH 6.5, VAPOR DIFFUSION, temperature 298K	Resolution 2.20 Å R-free 0.221
2DWJ Structure of the complex of C-terminal lobe of bovine lactoferrin with raffinose at 2.3 A resolution Deposited 2006-08-15	Different construct Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：C-lobe(residues 342-686)	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ZN ZINC ION × 2 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1M MES, PEG MONOMETHYLETHER, 0.1M ZNSO4, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.30 Å R-free 0.207
2DXR Crystal structure of the complex formed between C-terminal half of bovine lactoferrin and sorbitol at 2.85 A resolution Deposited 2006-08-30	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：residues 342-686	Mutation：N565K, K608E	SOR sorbitol × 2 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 ZN ZINC ION × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；298 K；0.1M MES, 25% POLYETHYLENE GLYCOL MONOMETHYL ETHER 550, 0.01M ZINC SULPHATE, pH 6.5, VAPOR DIFFUSION, temperature 298K	Resolution 2.85 Å R-free 0.227
2DXY Structure of the complex of C-terminal lobe of bovine lactoferrin with trehalose at 2.0 A resolution Deposited 2006-09-03	Different construct Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：C-terminal lobe(residues 342-686)	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ZN ZINC ION × 2 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1M MES, PEG MONOMETHYLETHER, 0.1M ZNSO4, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.03 Å R-free 0.211
2DYX Structure of the complex of lactoferrin C-lobe with melibiose at 2.0 A resolution Deposited 2006-09-19	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 322–360（39 aa） Fragment：residues 342-686	Not recorded	FE FE (III) ION × 1 CO3 CARBONATE ION × 1 ZN ZINC ION × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；298 K；0.1M MES, 25% POLYETHYLENE GLYCOL MONOMETHYL ETHER 550, 0.01M ZINC SULPHATE , pH 6.5, VAPOR DIFFUSION, temperature 298K	Resolution 2.00 Å R-free 0.201
2E0S Carbohydrate recognition of C-terminal half of lactoferrin: Crystal structure of the complex of C-lobe with rhamnose at 2.15 A resolution Deposited 2006-10-11	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：residues 342-686	Not recorded	RAM alpha-L-rhamnopyranose × 1 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 ZN ZINC ION × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；298 K；0.1M MES, 25% POLYETHYLENE GLYCOL MONOMETHYL ETHER 550, 0.01M ZINC SULPHATE, pH 6.5, VAPOR DIFFUSION, temperature 298K	Resolution 2.15 Å R-free 0.203
2E1S Crystal structure of the complex of C-terminal half of bovine lactoferrin and arabinose at 2.7 A resolution Deposited 2006-10-27	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：residues 342-686	Not recorded	ARA alpha-L-arabinopyranose × 1 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 ZN ZINC ION × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；298 K；0.1M MES, 25% POLYETHYLENE GLYCOL MONOMETHYL ETHER 550, 0.01M ZINC SULPHATE, pH 6.5, VAPOR DIFFUSION, temperature 298K	Resolution 2.70 Å R-free 0.233
2FA7 Crystal structure of the complex of bovine lactoferrin C-lobe with a pentasaccharide at 2.38 A resolution Deposited 2005-12-07	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：C-lobe complex, residues 361-705	Mutation：N565K, K608E	SO4 SULFATE ION × 1 ZN ZINC ION × 3 FE FE (III) ION × 1 CO3 CARBONATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1M MES, PEG MONOMETHYLETHER, 0.1M ZNSO4, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.38 Å R-free 0.236
2G93 Ligand recognition site in C-lobe of lactoferrin: Crystal structure of the complex of C-lobe of bovine lactoferrin with methyl alpha-D-mannopyranoside at 1.9 A resolution Deposited 2006-03-05	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：C-lobe(residues 342-686)	Not recorded	MMA methyl alpha-D-mannopyranoside × 1 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 ZN ZINC ION × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；298 K；0.1M MES, PEG monomethyl ether 550, 0.1M ZnSO4, pH 6.5, VAPOR DIFFUSION, temperature 298K	Resolution 1.90 Å R-free 0.229
2H4I Crystal structure of the complex of proteolytically produced C-terminal half of bovine lactoferrin with lactose at 2.55 A resolution Deposited 2006-05-24	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：residues 342-686	Not recorded	FE FE (III) ION × 1 CO3 CARBONATE ION × 1 ZN ZINC ION × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；298 K；0.1M MES, 25% POLYETHYLENE GLYCOL MONOMETHYL ETHER 550, 0.01M ZINC SULPHATE , pH 6.5, VAPOR DIFFUSION, temperature 298K	Resolution 2.55 Å R-free 0.216
2HCA Crystal structure of bovine lactoferrin C-lobe liganded with Glucose at 2.8 A resolution Deposited 2006-06-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：Peptidase S60 2 domain	Not recorded	GLC alpha-D-glucopyranose × 1 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 ZN ZINC ION × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；298 K；0.1M MES, 25% POLYETHYLENE GLYCOL MONOMETHYL ETHER 550 AND 0.01 M ZINC SULPHATE , pH 6.5, VAPOR DIFFUSION, temperature 298K	Resolution 2.80 Å R-free 0.248
2MD1 Fragment based approach and binding behavior of LFampinB with Lipopolysaccharide:biophysical aspects Deposited 2013-08-29	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 287–303（17 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 4.5；298 K；Pressure ambient NMR sample composition 55.5 M H2O-1, 90% H2O/10% D2O \| 90% H2O/10% D2O	Resolution not provided
2MD2 Fragment based approach and binding behavior of LFampinB with Lipopolysaccharide: biophysical aspects Deposited 2013-08-29	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 287–296（10 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 4.5；298 K；Pressure ambient NMR sample composition 55.5 mM H2O-1, 90% H2O/10% D2O \| 90% H2O/10% D2O	Resolution not provided
2MD3 Fragment based approach and binding behavior of LFampinB with Lipopolysaccharide:biophysical aspects Deposited 2013-08-29	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 296–303（8 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 4.5；298 K；Pressure ambient NMR sample composition 55.5 M H2O-1, 90% H2O/10% D2O \| 90% H2O/10% D2O	Resolution not provided
2MD4 Fragment based approach and binding behavior of LFampinB with Lipopolysaccharide: biophysical aspects Deposited 2013-08-29	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 287–298（12 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 4.5；298 K；Pressure ambient NMR sample composition 55.5 M H2O-1, 90% H2O/10% D2O \| 90% H2O/10% D2O	Resolution not provided
2NUV Crystal structure of the complex of C-terminal lobe of bovine lactoferrin with atenolol at 2.25 A resolution Deposited 2006-11-10	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：residues 342-686	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 2TN 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE × 1 ZN ZINC ION × 2 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.8；298 K；Hepes, ZnSO4, PEG monomethyl ether 550, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.25 Å R-free 0.235
2NWJ Structure of the complex of C-terminal lobe of bovine lactoferrin with disaccharide at 1.75 A resolution Deposited 2006-11-15	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：residues 342-686 (361-705)	Not recorded	ZN ZINC ION × 2 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.8；298 K；HEPES, PEG 550 Monomethyl ether, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.25 Å R-free 0.227
2O1L Structure of a complex of C-terminal lobe of bovine lactoferrin with disaccharide at 1.97 A resolution Deposited 2006-11-29	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：C-terminal lobe (residues 361-705)	Not recorded	ZN ZINC ION × 2 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.8；298 K；HEPES, PEG 550 monomethyl ether, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.97 Å R-free 0.231
2O51 Crystal structure of bovine C-lobe with fructose at 3.0 A resolution Deposited 2006-12-05	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：C-lobe(residues 342-686)	Not recorded	FRU beta-D-fructofuranose × 1 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 ZN ZINC ION × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1M MES, PEG MONOMETHYL ETHER 550, 0.1M ZNSO4, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 3.00 Å R-free 0.202
2OCU Structure of the complex of C-terminal lobe of bovine lactoferrin with N-(4-hydroxyphenyl) acetamide at 2.38 A resolution Deposited 2006-12-21	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：C-terminal lobe(RESIDUES 342-686)	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ZN ZINC ION × 2 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 1 TYL N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；HEPES, PEG Monomethyl Ether 550, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.38 Å R-free 0.223
2PX1 crystal structure of the complex of bovine lactoferrin C-lobe with Ribose at 2.5 A resolution Deposited 2007-05-14	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：Residues 361-705	Not recorded	RIP beta-D-ribopyranose × 2 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 ZN ZINC ION × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.01M znso4, 25% PEG, Monomethyl ether 550, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K	Resolution 2.50 Å R-free 0.228
2Q8J Crystal Structure of the complex of C-lobe of bovine lactoferrin with Mannitol and Mannose at 2.7 A resolution Deposited 2007-06-11	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–708（348 aa） Fragment：C-lobe	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 BMA beta-D-mannopyranose × 1 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 ZN ZINC ION × 2 SO4 SULFATE ION × 1 M2P D-MANNITOL-1,6-DIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1M MES, PEG MONOMETHYLETHER, 0.1M ZNSO4, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.71 Å R-free 0.240
2QJE Crystal structure of the complex of Bovine C-lobe with Amygdalin at 2.3A resolution Deposited 2007-07-07	Different construct Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–708（348 aa） Fragment：UNP residues 361-708	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ZN ZINC ION × 2 FE FE (III) ION × 1 SO4 SULFATE ION × 1 CO3 CARBONATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1M MES, PEG MONOMETHYLETHER, 0.1M ZNSO4, VAPOR DIFFUSION, HANGING DROP, pH 6.5, temperature 298.0K	Resolution 2.30 Å R-free 0.227
2R71 Crystal structure of the complex of bovine C-lobe with inositol at 2.1A resolution Deposited 2007-09-07	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：C-lobe	Not recorded	FE FE (III) ION × 1 CO3 CARBONATE ION × 1 ZN ZINC ION × 2 SO4 SULFATE ION × 2 INS 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1M MES, 25% POLYETHYLENE GLYCOL MONOMETHYL ETHER 550, 0.01M ZINC SULPHATE, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.07 Å R-free 0.229
2R9J Ligand recognition in C-lobe: The crystal structure of the complex of lactoferrin C-lobe with nicotinamide at 2.5 A resolution Deposited 2007-09-13	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：C-lobe	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ZN ZINC ION × 2 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 1 NCA NICOTINAMIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.01M ZnSO4, 0.1M MES, 25% PEG, Monomethyl ether 550, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.55 Å R-free 0.249
2ZMB Crystal structure of the complex of C-terminal lobe of bovine lactoferrin with parecoxib at 2.9 A resolution Deposited 2008-04-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：c-lobe	Not recorded	FE FE (III) ION × 1 CO3 CARBONATE ION × 1 ZN ZINC ION × 2 SO4 SULFATE ION × 1 PXB parecoxib × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1M MES, PEG, MONOMETHYLETHER, 0.1M ZNSO4, VAPOR DIFFUSION, HANGING DROP, pH 6.5, temperature 298K	Resolution 2.90 Å R-free 0.222
3CFL Crystal structure of the complex formed between C-lobe of bovine lactoferrin and 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine at 2.25 A resolution Deposited 2008-03-04	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：C-lobe	Not recorded	FE FE (III) ION × 1 CO3 CARBONATE ION × 1 ZN ZINC ION × 2 SO4 SULFATE ION × 1 5CH 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.01M ZnSO4, 0.1M MES, 25% PEG, Monomethyl Ether 550, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.25 Å R-free 0.225
3CI8 Crystal structure of the complex of C-lobe of lactoferrin with vitamin B3 (niacin) at 2.4 A resolution Deposited 2008-03-11	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：Peptidase S60 2, UNP residues 361-705	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 ZN ZINC ION × 2 SO4 SULFATE ION × 1 NIO NICOTINIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.01M Znso4, 0.1M MES, 25% PEG Monomethyl Ether 550, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.40 Å R-free 0.200
3CRB Crystal structure of the complex of C-lobe of lactoferrin with 2-chromenone at 2.6 A resolution Deposited 2008-04-05	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：C-lobe	Not recorded	FE FE (III) ION × 1 CO3 CARBONATE ION × 1 ZN ZINC ION × 2 SO4 SULFATE ION × 1 COU COUMARIN × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；01M ZNSO4, 0.1M MES, 25% PEG, MONOETHYL ETHER 550, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.60 Å R-free 0.211
3E9X Crystal Structure of the Complex of C-lobe of Lactoferrin with Nimesulide at 2.7 A Resolution Deposited 2008-08-24	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：C-lobe	Not recorded	NIM 4-NITRO-2-PHENOXYMETHANESULFONANILIDE × 1 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 ZN ZINC ION × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1M ZNSO4, 0.1M MES, 25% PEG, MONOETHYL ETHER 550, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.70 Å R-free 0.235
3IAZ Structural basis of the prevention of NSAID-induced damage of the gastrointestinal tract by C-terminal half (C-lobe) of bovine colostrum protein lactoferrin: Binding and structural studies of the C-lobe complex with aspirin Deposited 2009-07-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：UNP residues 361-705	Not recorded	AIN 2-(ACETYLOXY)BENZOIC ACID × 1 SO4 SULFATE ION × 1 ZN ZINC ION × 2 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 EOH ETHANOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；25% PEG MONOMETHYL ETHER-550, 0.1M ZNSO4, 0.1M MES, PH6.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K	Resolution 2.00 Å R-free 0.228
3IB0 Structural basis of the prevention of NSAID-induced damage of the gastrointestinal tract by C-terminal half (C-lobe) of bovine colostrum protein lactoferrin: Binding and structural studies of C-lobe complex with diclofenac Deposited 2009-07-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：UNP residues 361-705	Not recorded	FE FE (III) ION × 1 CO3 CARBONATE ION × 1 DIF 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID × 1 SO4 SULFATE ION × 2 ZN ZINC ION × 2 EOH ETHANOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1M MES, 25% POLY ETHYLENE GLYCOL MONOMETHYL ETHER-550, 0.1M ZNSO4, PH6.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K	Resolution 1.40 Å R-free 0.219
3IB1 Structural basis of the prevention of NSAID-induced damage of the gastrointestinal tract by C-terminal half (C-lobe) of bovine colostrum protein lactoferrin: Binding and structural studies of C-lobe complex with indomethacin Deposited 2009-07-15	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：UNP residues 361-705	Not recorded	ZN ZINC ION × 2 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 IMN INDOMETHACIN × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；25% PEG MONOMETHYL ETHER-550, 0.1M MES, 0.01M ZNSO4, PH6.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K	Resolution 2.20 Å R-free 0.244
3IB2 structure of the complex of C-terminal half (C-lobe) of bovine lactoferrin with alpha-methyl-4-(2-methylpropyl) benzene acetic acid Deposited 2009-07-15	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：UNP residues 361-705	Mutation：N565K, K608E	IBP IBUPROFEN × 1 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 ZN ZINC ION × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.01M ZNSO4, 0.1M MES, 25% PEG, MONOMETHYL ETHER 550, PH6.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K	Resolution 2.29 Å R-free 0.220
3K0V Removal of sugars and sugars-like molecules from the solution by C-lobe of lactoferrin: Crystal structure of the complex of C-lobe with beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-alpha-D-glucopyranose at 1.9 A resolution Deposited 2009-09-25	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa）	Not recorded	SO4 SULFATE ION × 1 ZN ZINC ION × 2 FE FE (III) ION × 1 CO3 CARBONATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.01M Znso4, 0.1M MES, 25% PEG, Monomethyl Ether 550, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.91 Å R-free 0.237
3KJ7 Crystal Structure of the Complex of C-lobe of Bovine Lactoferrin with Dextrin at 1.9 A Resolution Deposited 2009-11-03	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa）	Not recorded	SO4 SULFATE ION × 1 ZN ZINC ION × 2 FE FE (III) ION × 1 CO3 CARBONATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.01M Znso4, 0.1M MES, 25% PEG, Monomethyl Ether 550, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.91 Å R-free 0.241
3MJN Crystal Structure of the complex of C-lobe of lactoferrin with isopropylamino-3-(1-naphthyloxy)propan-2-ol at 2.38 A Resolution Deposited 2010-04-13	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：C-lobe (UNP RESIDUES 361-705)	Mutation：N565K, K608E	FE FE (III) ION × 1 CO3 CARBONATE ION × 1 ZN ZINC ION × 2 SO4 SULFATE ION × 1 RNP (1E,2R)-1-(ISOPROPYLIMINO)-3-(1-NAPHTHYLOXY)PROPAN-2-OL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；298 K；0.01M Znso4, 0.1M MES, 25% PEG, Monomethyl Ether 550, pH 6.5, VAPOR DIFFUSION, temperature 298K	Resolution 2.38 Å R-free 0.211
3O97 Crystal Structure of the complex of C-lobe of lactoferrin with indole acetic acid at 2.68 A Resolution Deposited 2010-08-04	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：C-lobe (UNP RESIDUES 361-705)	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 IAC 1H-INDOL-3-YLACETIC ACID × 1 ZN ZINC ION × 2 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；298 K；0.01M Znso4, 0.1M MES, 25% PEG, Monomethyl Ether 550, pH 6.5, VAPOR DIFFUSION, temperature 298K	Resolution 2.68 Å R-free 0.222
3RGY Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Lipopolysaccharide at 2.0 A Resolution Deposited 2011-04-11	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：C-lobe	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ZN ZINC ION × 2 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 1 LP5 (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.01M Znso4, 0.1M MES, 25% PEG, Monomethyl Ether 550, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.00 Å R-free 0.221
3SDF Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Lipoteichoic acid at 2.1 A Resolution Deposited 2011-06-09	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：UNP RESIDUES 361-705	Not recorded	ZN ZINC ION × 2 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 LTC (2S)-1-({3-O-[2-(acetylamino)-4-amino-2,4,6-trideoxy-beta-D-galactopyranosyl]-alpha-D-glucopyranosyl}oxy)-3-(heptanoyloxy)propan-2-yl (7Z)-pentadec-7-enoate × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.01M Znso4, 0.1M MES, 25% PEG, Monomethyl Ether 550 , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.10 Å R-free 0.234
3TAJ Crystal structure of C-lobe of bovine lactoferrin complexed with Nabumetone at 1.7A resolution Deposited 2011-08-04	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：C-lobe (UNP RESIDUES 361-705)	Not recorded	NBO nabumetone × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ZN ZINC ION × 2 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.01M Znso4, 0.1M MES, 25% PEG, Monomethyl Ether 550, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.70 Å R-free 0.223
3TOD Crystal Structure of C-lobe of Bovine lactoferrin Complexed with 1-Butyl-1H-Pyrazole-5-carboxylic acid at 1.38 A Resolution Deposited 2011-09-05	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 361–695（335 aa） Fragment：C-lobe, UNP residues 361-705 Chain B 700–705（6 aa）	Not recorded	FE FE (III) ION × 1 ZN ZINC ION × 2 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 2 EOH ETHANOL × 2 XXB 1-butyl-1H-pyrazole-5-carboxylic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.01M Znso4, 0.1M MES, 25% PEG, Monomethyl Ether 550, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.38 Å R-free 0.236
3TTR Crystal structure of C-lobe of bovine lactoferrin complexed with Lidocaine at 2.27 A resolution Deposited 2011-09-15	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：C-lobe (UNP RESIDUES 361-705)	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 SO4 SULFATE ION × 1 ZN ZINC ION × 2 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 LQZ 2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.01M Znso4, 0.1M MES, 25% PEG, Monomethyl Ether 550, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.27 Å R-free 0.241
3TUS Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Meta-hydroxy benzoic acid at 2.5 A Resolution Deposited 2011-09-18	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：C-lobe (UNP RESIDUES 361-705)	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 FE FE (III) ION × 1 ZN ZINC ION × 2 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 1 3HB 3-HYDROXYBENZOIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.01M Znso4, 0.1M MES, 25% PEG, Monomethyl Ether 550 , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.50 Å R-free 0.241
3U72 Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Isoniazid at 2.2 A Resolution Deposited 2011-10-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 361–695（335 aa） Fragment：UNP residues 361-695 Chain B 700–705（6 aa） Fragment：UNP residues 700-705	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 FE FE (III) ION × 1 ZN ZINC ION × 2 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 1 ISZ 4-(DIAZENYLCARBONYL)PYRIDINE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.01M Znso4, 0.1M MES, 25% PEG, Monomethyl Ether 550 , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.20 Å R-free 0.230
3U8Q Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Phenyl-Propanolamine at 1.97 A Resolution Deposited 2011-10-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 361–695（335 aa） Fragment：C-lobe, UNP residues 361-695 Chain B 700–705（6 aa） Fragment：UNP residues 700-705	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 FE FE (III) ION × 1 ZN ZINC ION × 2 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 1 NPU (1R,2R)-2-amino-1-phenylpropan-1-ol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.01M Znso4, 0.1M MES, 25% PEG, Monomethyl Ether 550, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.97 Å R-free 0.198
3UGW Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Deoxycytidine at 1.87 A Resolution Deposited 2011-11-03	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 361–695（335 aa） Fragment：C-lobe, UNP residues 361-695 Chain B 700–705（6 aa）	Not recorded	ZN ZINC ION × 2 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 GOL GLYCEROL × 1 DCZ 2'-DEOXYCYTIDINE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.01M Znso4, 0.1M MES, 25% PEG, Monomethyl Ether 550, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.87 Å R-free 0.223
3UK4 Crystal Structure of C-lobe of Bovine lactoferrin Complexed with 1,2,5-Pentanetriol at 1.98 A Resolution Deposited 2011-11-09	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 361–695（335 aa） Fragment：C-lobe, UNP residues 361-695 Chain B 700–705（6 aa）	Not recorded	ZN ZINC ION × 2 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 XXD (2S)-pentane-1,2,5-triol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.01M Znso4, 0.1M MES, 25% PEG, Monomethyl Ether 550, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.98 Å R-free 0.241
3USD Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Imidazol (1,2 a) pyridine3-yl-acitic acid at 2.4 A Resolution Deposited 2011-11-23	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 361–695（335 aa） Fragment：C-lobe, UNP residues 361-695 Chain B 700–705（6 aa）	Not recorded	ZN ZINC ION × 2 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 IDL imidazo[1,2-a]pyridin-3-ylacetic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.01M Znso4, 0.1M MES, 25% PEG, Monomethyl Ether 550 , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.40 Å R-free 0.260
3V5A Crystal Structure of C-lobe of Bovine Lactoferrin Complexed with Gamma Amino Butyric Acid at 1.44 A Resolution Deposited 2011-12-16	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 361–695（335 aa） Fragment：C-lobe, UNP residues 361-695 Chain B 700–705（6 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 FE FE (III) ION × 1 ZN ZINC ION × 2 CO3 CARBONATE ION × 2 GOL GLYCEROL × 1 ABU GAMMA-AMINO-BUTANOIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.01M Znso4, 0.1M MES, 25% PEG, Monomethyl Ether 550, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.44 Å R-free 0.191
3VDF Crystal Structure of C-lobe of Bovine lactoferrin Complexed with diaminopimelic acid at 1.46 A Resolution Deposited 2012-01-05	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 361–695（335 aa） Fragment：C-lobe, UNP residues 361-695 Chain B 700–705（6 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 FE FE (III) ION × 1 ZN ZINC ION × 2 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 1 API 2,6-DIAMINOPIMELIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.01M Znso4, 0.1M MES, 25% PEG, Monomethyl Ether 550 , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.46 Å R-free 0.194
4DIG Crystal Structure of C-lobe of Bovine lactoferrin Complexed with N-acetylmuramyl l-alanyl d-isoglutamine at 1.8 A Resolution Deposited 2012-01-31	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 361–695（335 aa） Fragment：C-lobe, UNP residues 361-695 Chain B 700–705（6 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 FE FE (III) ION × 1 ZN ZINC ION × 2 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 1 DGN D-GLUTAMINE × 1 ALA ALANINE × 1 LAC LACTIC ACID × 1 NDG 2-acetamido-2-deoxy-alpha-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.01M Znso4, 0.1M MES, 25% PEG, Monomethyl Ether 550, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.80 Å R-free 0.216
4DXU Crystal Structure of C-lobe of Bovine lactoferrin Complexed with aminocaproic acid at 1.46 A Resolution Deposited 2012-02-28	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 361–695（335 aa） Fragment：C-lobe, UNP residues 361-695 Chain B 700–705（6 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 FE FE (III) ION × 1 ZN ZINC ION × 2 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 1 ACA 6-AMINOHEXANOIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.01M ZnSO4, 0.1M MES, 25% PEG, Monomethyl Ether 550 , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.46 Å R-free 0.187
4FIM Crystal Structure of C-lobe of Bovine lactoferrin Complexed with celecoxib acid at 1.80 A Resolution Deposited 2012-06-09	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 361–695（335 aa） Fragment：C-lobe, UNP residues 361-695 Chain B 700–705（6 aa）	Not recorded	FE FE (III) ION × 1 CO3 CARBONATE ION × 1 ZN ZINC ION × 2 CEL 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.01M Znso4, 0.1M MES, 25% PEG, Monomethyl Ether 550, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.80 Å R-free 0.211
4FJP Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Naproxen at 1.68 A Resolution Deposited 2012-06-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 361–695（335 aa） Fragment：C-lobe, UNP residues 361-695 Chain B 700–705（6 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 FE FE (III) ION × 1 ZN ZINC ION × 2 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 1 NPS (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.01M Znso4, 0.1M MES, 25% PEG, Monomethyl Ether 550, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.68 Å R-free 0.208
4FOR Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Flurbiprofen at 1.58 A Resolution Deposited 2012-06-21	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 361–695（335 aa） Fragment：C-lobe, UNP residues 361-695 Chain B 700–705（6 aa）	Not recorded	FE FE (III) ION × 1 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 1 ZN ZINC ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 FLP FLURBIPROFEN × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.01M Znso4, 0.1M MES, 25% PEG, Monomethyl Ether 550, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.58 Å R-free 0.205
4G2Z Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Mefenamic acid at 1.90 A Resolution Deposited 2012-07-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 361–695（335 aa） Fragment：C-lobe, UNP residues 361-695 Chain B 700–705（6 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 FE FE (III) ION × 1 ZN ZINC ION × 2 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 1 ID8 2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.01M Znso4, 0.1M MES, 25% PEG, Monomethyl Ether 550, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.90 Å R-free 0.191
4G77 Crystal Structure of C-lobe of Bovine lactoferrin Complexed with tolfenamic acid at 1.98 A Resolution Deposited 2012-07-20	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：C-lobe, UNP RESIDUES 361-705	Not recorded	FE FE (III) ION × 1 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 1 ZN ZINC ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 TLF 2-[(3-chloro-2-methylphenyl)amino]benzoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.01M Znso4, 0.1M MES, 25% PEG, Monomethyl Ether 550 , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.98 Å R-free 0.211
4G8H Crystal structure of C-lobe of bovine lactoferrin complexed with licofelone at 1.88 A resolution Deposited 2012-07-23	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa） Fragment：C-lobe, UNP RESIDUES 361-705	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ZN ZINC ION × 2 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 1 LCF [6-(4-CHLOROPHENYL)-2,2-DIMETHYL-7-PHENYL-2,3-DIHYDRO-1H-PYRROLIZIN-5-YL]ACETIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.01M Znso4, 0.1M MES, 25% PEG, Monomethyl Ether 550, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.88 Å R-free 0.212
4GRK Crystal Structure of C-lobe of Bovine lactoferrin Complexed with ketorolac at 1.68 A Resolution Deposited 2012-08-25	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 361–695（335 aa） Fragment：C-lobe, UNP RESIDUES 361-695 Chain B 700–705（6 aa） Fragment：C-lobe, UNP RESIDUES 700-705	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ZN ZINC ION × 2 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 2 KTR (1R)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.01M Znso4, 0.1M MES, 25% PEG, Monomethyl Ether 550 , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.68 Å R-free 0.205
4N6P Crystal Structure of C-lobe of Bovine lactoferrin complexed with meclofenamic acid at 1.4 A resolution Deposited 2013-10-14	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 361–695（335 aa） Fragment：UNP residues 361-695 Chain B 700–705（6 aa）	Not recorded	ZN ZINC ION × 1 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 GOL GLYCEROL × 2 JMS 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.01M ZnSO4, 0.1M MES, 25% PEG, Monomethyl Ether 550, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.40 Å R-free 0.208
4NED Crystal STRUCTURE OF C-LOBE OF BOVINE LACTOFERRIN COMPLEXED WITH FENOPROFEN AT 2.1 ANGSTROM RESOLUTION Deposited 2013-10-29	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–705（345 aa）	Not recorded	ZN ZINC ION × 2 FE FE (III) ION × 1 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 PFN FENOPROFEN × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 6.5；298 K；0.01M ZnSO4, 0.1M MES, 25% PEG, Monomethyl Ether 550, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.10 Å R-free 0.252
4OQO Crystal structure of the tryptic generated iron-free C-lobe of bovine Lactoferrin at 2.42 Angstrom resolution Deposited 2014-02-10	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 361–708（348 aa） Fragment：C-lobe, UNP RESIDUES 361-708	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；298 K；8% Tacsimate, 20% PEG 3350, pH 4, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.42 Å R-free 0.260
4OQO Crystal structure of the tryptic generated iron-free C-lobe of bovine Lactoferrin at 2.42 Angstrom resolution Deposited 2014-02-10	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain B 361–708（348 aa） Fragment：C-lobe, UNP RESIDUES 361-708	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；298 K；8% Tacsimate, 20% PEG 3350, pH 4, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.42 Å R-free 0.260
5CRY Structure of iron-saturated C-lobe of bovine lactoferrin at pH 6.8 indicates the softening of iron coordination Deposited 2015-07-23	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 361–708（348 aa） Fragment：C-LOBE (UNP RESIDUES 361-708) Chain B 361–708（348 aa） Fragment：C-LOBE (UNP RESIDUES 361-708)	Not recorded	FE FE (III) ION × 2 BCT BICARBONATE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.8；300 K；0.05M HEPES, 20% PEG 20K	Resolution 2.79 Å R-free 0.273
5HBC Intermediate structure of iron-saturated C-lobe of bovine lactoferrin at 2.79 Angstrom resolution indicates the softening of iron coordination Deposited 2015-12-31	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 361–708（348 aa） Fragment：UNP residues 361-708	Not recorded	FE FE (III) ION × 1 BCT BICARBONATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.8；300 K；0.05M HEPES, 20% PEG 20000	Resolution 2.79 Å R-free 0.273
5HBC Intermediate structure of iron-saturated C-lobe of bovine lactoferrin at 2.79 Angstrom resolution indicates the softening of iron coordination Deposited 2015-12-31	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain B 361–708（348 aa） Fragment：UNP residues 361-708	Not recorded	FE FE (III) ION × 1 BCT BICARBONATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.8；300 K；0.05M HEPES, 20% PEG 20000	Resolution 2.79 Å R-free 0.273
7ENU Crystal structure of iron-saturated C-terminal half of lactoferrin produced proteolytically using pepsin at 2.32A resolution Deposited 2021-04-19	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 361–708（348 aa） Chain B 361–708（348 aa）	Not recorded	FE FE (III) ION × 2 CO3 CARBONATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；Magnesium acetate, 20% PEG 3350	Resolution 2.32 Å R-free 0.249
7EQU Crystal structure of the C-lobe of lactoferrin produced by limited proteolysis using pepsin at 2.74A resolution Deposited 2021-05-04	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 361–708（348 aa） Fragment：UNP residues 361-708 Chain B 361–708（348 aa） Fragment：UNP residues 361-708	Not recorded	FE FE (III) ION × 2 BCT BICARBONATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；Magnesium acetate, 20% PEG 3350	Resolution 2.74 Å R-free 0.298
7EV0 Crystal structure of pepsin cleaved C-terminal half of lactoferrin at 2.7A resolution Deposited 2021-05-19	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 361–708（348 aa） Chain P 361–708（348 aa）	Not recorded	FE FE (III) ION × 2 CO3 CARBONATE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；Magnesium acetate, 20% PEG 3350	Resolution 2.70 Å R-free 0.314
7EVQ Crystal structure of C-terminal half of lactoferrin obtained by limited proteolysis using pepsin at 2.6 A resolution Deposited 2021-05-21	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 361–708（348 aa） Chain B 361–708（348 aa）	Not recorded	FE FE (III) ION × 2 BCT BICARBONATE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；Magnesium Acetate 20%, PEG 3350.	Resolution 2.60 Å R-free 0.284
7FDW Crystal structure of pepsin cleaved lactoferrin C-lobe at 2.28 A resolution Deposited 2021-07-18	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 361–708（348 aa） Chain B 361–708（348 aa）	Not recorded	FE FE (III) ION × 2 CO3 CARBONATE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；Magnesium acetate, 20% PEG 3350	Resolution 2.28 Å R-free 0.247
9XXU Crystal structure of the chymotrypsin-cleaved iron-free C-lobe of bovine lactoferrin at 2.82 Angstrom resolution Deposited 2025-12-01	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 362–699（338 aa） Chain C 700–708（9 aa）	Not recorded	EDO 1,2-ETHANEDIOL × 2 GOL GLYCEROL × 1 ACT ACETATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；0.1M Sodium acetate trihydrate (pH 4.6), 0.2M ammonium sulfate, 25% w/v PEG 2000	Resolution 2.82 Å R-free 0.269
9XXU Crystal structure of the chymotrypsin-cleaved iron-free C-lobe of bovine lactoferrin at 2.82 Angstrom resolution Deposited 2025-12-01	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric	Chain B 362–699（338 aa） Chain D 700–708（9 aa）	Not recorded	GOL GLYCEROL × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；0.1M Sodium acetate trihydrate (pH 4.6), 0.2M ammonium sulfate, 25% w/v PEG 2000	Resolution 2.82 Å R-free 0.269

86 other PDB entries and 89 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	TRFL_BOVIN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–344； UniProt 361–704

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	2p1s
Deposition date deposition_date	2007-03-06
Structure title title	Crystal structure of the C-terminal lobe of bovine lactoferrin complexed with O-alpha-D-Glucopyranosyl-(1 3)-alpha-D-fructofuranosyl- (2 1)- alpha-D-glucopyranoside at 1.93 A resolution
Keywords keywords	Lactoferrin, Sugar, METAL BINDING PROTEIN; METAL BINDING 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	20.66 Å
Radius of gyration Rg (electron density) rg_electron	19.58 Å
Forward intensity I(0) i0	29153400.00
Molecular weight molecular_weight	39423.0 kDa
Excluded volume excluded_volume	48480 Å³
Envelope volume envelope_volume	56718 Å³
Hydration-shell volume shell_volume	23458 Å³
Envelope diameter envelope_diameter	69.7 Å
Shell Rg shell_rg	26.73 Å
Envelope Rg envelope_rg	19.78 Å
Shape Rg shape_rg	19.54 Å
Total Rg total_rg	20.56 Å
Total atoms total_atoms	2743
Residues n_residues	340
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	66.2 Å
Rg (real space) rg_real	20.52 Å
Rg uncertainty (real space) rg_real_error	0.33 Å
I(0) (real space) i0_real	2.9150e+07
I(0) uncertainty (real space) i0_real_error	3.6290e+05
Rg (reciprocal space) rg_reciprocal	20.55 Å
I(0) (reciprocal space) i0_reciprocal	29150000.0000
Solution quality estimate total_estimate	0.8110
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	25.9 Å
Skewness Skewness skewness	0.148
Kurtosis Kurtosis kurtosis	-0.408
Angular range angular_range	— – 0.3850 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	6717000.0000
Real-space data points n_real_points	70
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.850; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.988; Smooth: 0.000

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (10)

Entity 1 Entity 1 polymer

Description description	Lactotransferrin
Molecular weight formula_weight	37508.3 kDa
Source method src_method	nat
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	3067

YTRVVWCAVGPEEQKKCQQWSQQSGQNVTCATASTTDDCIVLVLKGEADALNLDGGYIYTAGKCGLVPVLAENRKSSKHSSLDCVLRPTEGYLAVAVVKKANEGLTWNSLKDKKSCHTAVDRTAGWNIPMGLIVNQTGSCAFDEFFSQSCAPGADPKSRLCALCAGDDQGLDKCVPNSKEKYYGYTGAFRCLAEDVGDVAFVKNDTVWENTNGESTADWAKNLKREDFRLLCLDGTRKPVTEAQSCHLAVAPNHAVVSRSDRAAHVEQVLLHQQALFGKNGKNCPDKFCLFKSETKNLLFNDNTECLAKLGGRPTYEEYLGTEYVTAIANLKKCSTSPLLEACA

Entity 2 Entity 2 branched

Description description	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Molecular weight formula_weight	586.5 kDa
Source method src_method	man
Copy count entity_count	1

Entity 3 Entity 3 branched

Description description	;alpha-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose ;
Molecular weight formula_weight	748.7 kDa
Source method src_method	man
Copy count entity_count	1

Entity 4 Entity 4 branched

Description description	alpha-D-galactopyranose-(1-2)-alpha-D-fructofuranose-(1-3)-alpha-D-glucopyranose
Molecular weight formula_weight	504.4 kDa
Source method src_method	man
Copy count entity_count	1

Entity 5 Entity 5 non-polymer

Description description	2-acetamido-2-deoxy-beta-D-glucopyranose
Molecular weight formula_weight	221.2 kDa
Source method src_method	man
Copy count entity_count	1

Entity 6 Entity 6 non-polymer

Description description	FE (III) ION
Molecular weight formula_weight	55.8 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 7 Entity 7 non-polymer

Description description	CARBONATE ION
Molecular weight formula_weight	60.0 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 8 Entity 8 non-polymer

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

Entity 9 Entity 9 non-polymer

Description description	SULFATE ION
Molecular weight formula_weight	96.1 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 10 Entity 10 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	324

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7. Fold Classification (SCOP + CATH) 3 domains

SCOP 2.08 (1 domains)

Domain ID domain_id	d2p1sa_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.94 — Periplasmic binding protein-like II
Superfamily Superfamily superfamily	c.94.1 — Periplasmic binding protein-like II
Family Family family	c.94.1.0 — automated matches

CATH v4.4 (2 domains)

Domain ID domain_id	2p1sA01
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	190 — D-Maltodextrin-Binding Protein; domain 2
Homologous superfamily homologous superfamily	10 — Periplasmic binding protein-like II

Domain ID domain_id	2p1sA02
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	190 — D-Maltodextrin-Binding Protein; domain 2
Homologous superfamily homologous superfamily	10 — Periplasmic binding protein-like II

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8. Citations (1)

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Unit-cell length a length_a	63.155 Å
Unit-cell length b length_b	50.425 Å
Unit-cell length c length_c	65.883 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	107.70 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	2

Space group space_group	P 1 21 1
Space-group number int_tables_number	4
Crystal system crystal_system	—

Resolution resolution	1.930 Å
Low-resolution limit resolution_low	63.250 Å
R factor r_factor	0.1744
R_work r_work	0.1703
R_free r_free	0.2165

fit	/app/data/saxs_computation/p1/2p1s/2p1s.fit
pddf	/app/data/pr_computation/p1/2p1s/2p1s.pr.out
profile	/app/data/saxs_computation/p1/2p1s/2p1s.dat