4mre

Crystal structure of the murine CD44 hyaluronan binding domain complex with a small molecule

Method: X-RAY DIFFRACTION D_max: 47.1 Å Quality: REASONABLE

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

CD44 antigen

Mus musculus

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain A； UniProt 23–171	Fragment：HYALURONAN BINDING DOMAIN, RESIDUES 23-171	DMS DIMETHYL SULFOXIDE × 1 2C9 3-methylbenzene-1,2-diamine × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；30% PEG MME 5000, 100 mM MES, 200 mM (NH4)2SO4, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.58 Å R-free 0.223

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 4MRE	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
2JCP The hyaluronan binding domain of murine CD44 Deposited 2007-01-03	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–174（152 aa） Fragment：HYALURONAN BINDING DOMAIN, RESIDUES 23-174	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；DROPLETS COMPRISING 200NL CD4425-174 (AT A CONCENTRATION OF 0.5MM) MIXED WITH 200NL WELL SOLUTION WERE DISPENSED AS SITTING DROPS AND UNDERWENT VAPOR DIFFUSION WITH A WELL SOLUTION OF 30% PEG MONOMETHYLETHER 5000, AND 200 MM (NH4)2SO4 IN 100 MM MES BUFFER PH 6.5	Resolution 1.30 Å R-free 0.191
2JCQ The hyaluronan binding domain of murine CD44 in a Type A complex with an HA 8-mer Deposited 2007-01-03	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 23–174（152 aa） Fragment：HYALURONAN BINDING DOMAIN, RESIDUES 23-174	Not recorded	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；CO-CRYSTALS OF THE CD44/HA8 COMPLEX WERE PREPARED AFTER ADDITION OF HA8 (2MM FINAL CONCENTRATION) TO THE 0.5MM PROTEIN SOLUTION FOLLOWED BY MIXING 1:1 WITH WELL SOLUTIONS CONTAINING 25% (W/V) PEG 3350 AND 100MM NACL IN 100MM HEPES BUFFERED AT EITHER PH 7.0 OR PH 8.0	Resolution 1.25 Å R-free 0.156
2JCR The hyaluronan binding domain of murine CD44 in a Type B complex with an HA 8-mer Deposited 2007-01-03	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 23–174（152 aa） Fragment：HYALURONAN BINDING DOMAIN, RESIDUES 23-174	Not recorded	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；CO-CRYSTALS OF THE CD44/HA8 COMPLEX WERE PREPARED AFTER ADDITION OF HA8 (2MM FINAL CONCENTRATION) TO THE 0.5 MM PROTEIN SOLUTION FOLLOWED BY MIXING 1:1 WITH WELL SOLUTIONS CONTAINING 25% (W/V) PEG 3350 AND 100MM NACL IN 100MM HEPES BUFFERED AT PH 8.0	Resolution 2.00 Å R-free 0.254
2ZPY Crystal structure of the mouse radxin FERM domain complexed with the mouse CD44 cytoplasmic peptide Deposited 2008-07-31	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 708–727（20 aa） Fragment：residues 293-312	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 8.6；277 K；0.1M Tris, 0.2M Potassium thiocyanate, 15% PEG 3350 , pH 8.6, VAPOR DIFFUSION, temperature 277K	Resolution 2.10 Å R-free 0.256
4MRD Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule Deposited 2013-09-17	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 23–171（149 aa） Fragment：HYALURONAN BINDING DOMAIN, RESIDUES 23-171	Not recorded	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；30% PEG MME 5000, 100 mM MES, 200mM (NH4)2SO4, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.55 Å R-free 0.245
4MRF Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule Deposited 2013-09-17	Different ligand/ion Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–171（149 aa） Fragment：HYALURONAN BINDING DOMAIN, RESIDUES 23-171	Not recorded	DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 1 2CK 1,2,3,4-tetrahydroisoquinoline × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；30% PEG MME 5000, 100 mM MES, 200 mM (NH4)2SO4, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.55 Å R-free 0.215
4MRG Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule Deposited 2013-09-17	Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–171（149 aa） Fragment：HYALURONAN BINDING DOMAIN, RESIDUES 23-174	Mutation：H23M, Q24N	24W 1,2,3,4-tetrahydroisoquinolin-5-amine × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；30% PEG MME 5000, 100 mM MES, 200 mM (NH4)2SO4, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.69 Å R-free 0.206
4MRH Crystal structure of the murine CD44 hyaluronan binding domain complex with a small molecule Deposited 2013-09-17	Different ligand/ion Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–171（149 aa） Fragment：HYALURONAN BINDING DOMAIN, RESIDUES 23-171	Not recorded	2CQ 4-chloro-5-methylbenzene-1,2-diamine × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；30% PEG MME 5000, 100 mM MES, 200 mM (NH4)2SO4, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.12 Å R-free 0.184
4NP2 Crystal structure of the murine CD44 hyaluronan binding domain complex with a small molecule Deposited 2013-11-20	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–171（149 aa） Fragment：HYALURONAN BINDING DOMAIN, RESIDUES 23-171	Not recorded	2L1 2-[(4-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 SO4 SULFATE ION × 2 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG MME 5000, MES, (NH4)2SO4, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.75 Å R-free 0.217
4NP3 Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule Deposited 2013-11-20	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–171（149 aa） Fragment：HYALURONAN BINDING DOMAIN, RESIDUES 23-174	Not recorded	2L2 2-[(4-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine × 1 DMS DIMETHYL SULFOXIDE × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG MME 5000, MES, (NH4)2SO4, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.61 Å R-free 0.225
5BZC Crystal structure of the murine CD44 hyaluronan binding domain complex with a small molecule Deposited 2015-06-11	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 22–171（150 aa） Fragment：HYALURONAN BINDING DOMAIN, unp RESIDUES 21-171	Not recorded	4WT 4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG MME 5000, MES, (NH4)2SO4	Resolution 1.95 Å R-free 0.232
5BZE Crystal structure of the murine CD44 hyaluronan binding domain complex with a small molecule Deposited 2015-06-11	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–171（149 aa） Fragment：HYALURONAN BINDING DOMAIN, RESIDUES 21-171	Mutation：H23M; Q24N	DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 1 68N [(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol × 1 6BT [(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG MME 5000, MES, (NH4)2SO4	Resolution 1.31 Å R-free 0.195
5BZF Crystal structure of the murine CD44 hyaluronan binding domain complex with a small molecule Deposited 2015-06-11	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 21–171（151 aa） Fragment：HYALURONAN BINDING DOMAIN, UNP RESIDUES 21-171	Mutation：H23M; Q24N	4X3 2-ethyl-1,2,3,4-tetrahydroisoquinolin-5-amine × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG MME 5000, MES, (NH4)2SO4	Resolution 2.77 Å R-free 0.293
5BZG Crystal structure of the murine CD44 hyaluronan binding domain complex with a small molecule Deposited 2015-06-11	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 21–171（151 aa） Fragment：HYALURONAN BINDING DOMAIN, UNP RESIDUES 21-171	Mutation：H23M; Q24N	DMS DIMETHYL SULFOXIDE × 1 4X6 2-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG MME 5000, MES, (NH4)2SO4	Resolution 2.19 Å R-free 0.242
5BZH Crystal structure of the murine CD44 hyaluronan binding domain complex with a small molecule Deposited 2015-06-11	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 21–171（151 aa）	Mutation：H23M, Q24N	DMS DIMETHYL SULFOXIDE × 1 4X1 3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-1-amine × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；30% PEG MME 5000, 100 mM MES, 200 mM (NH4)2SO4	Resolution 1.95 Å R-free 0.227
5BZI Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule Deposited 2015-06-11	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 21–171（151 aa） Fragment：HYALURONAN BINDING DOMAIN, RESIDUES 21-171	Mutation：H23M; Q24N	4WU 1,2,3,4-tetrahydroisoquinolin-8-amine × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 3 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG MME 5000, MES, (NH4)2SO4	Resolution 1.32 Å R-free 0.202
5BZJ Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule Deposited 2015-06-11	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 21–171（151 aa） Fragment：HYALURONAN BINDING DOMAIN, unp residues 21-171	Mutation：H23M; Q24N	DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 2 4WN 2-[2-(1-methyl-1H-imidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinolin-8-amine × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG MME 5000, MES, (NH4)2SO4	Resolution 1.40 Å R-free 0.209
5BZK Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule Deposited 2015-06-11	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 21–171（151 aa）	Not recorded	DMS DIMETHYL SULFOXIDE × 1 4WP methyl 3-(3,4-dihydroisoquinolin-2(1H)-yl)propanoate × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；EG MME 5000, MES, (NH4)2SO4	Resolution 1.40 Å R-free 0.209
5BZL Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule Deposited 2015-06-11	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 21–171（151 aa） Fragment：HYALURONAN BINDING DOMAIN, RESIDUES 21-171	Mutation：H23M; Q24N	DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 1 4WO methyl 3-(8-amino-3,4-dihydroisoquinolin-2(1H)-yl)propanoate × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG MME 5000, MES, (NH4)2SO4	Resolution 1.23 Å R-free 0.188
5BZM Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule Deposited 2015-06-11	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 21–171（151 aa） Fragment：HYALURONAN BINDING DOMAIN, RESIDUES 21-171	Mutation：H23M; Q24N	4X8 2-[(4-amino-3-methylpyridin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine × 1 DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG MME 5000, MES, (NH4)2SO4	Resolution 1.25 Å R-free 0.222
5BZN Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule Deposited 2015-06-11	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 21–171（151 aa） Fragment：HYALURONAN BINDING DOMAIN, RESIDUES 21-171	Mutation：H23M; Q24N	DMS DIMETHYL SULFOXIDE × 1 4XD 2-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG MME 5000, MES, (NH4)2SO4	Resolution 1.23 Å R-free 0.196
5BZO Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule Deposited 2015-06-11	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 21–171（151 aa） Fragment：HYALURONAN BINDING DOMAIN, RESIDUES 21-171	Mutation：H23M; Q24N	4XC 3-(8-amino-3,4-dihydroisoquinolin-2(1H)-yl)-N-methylpropanamide × 1 DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG MME 5000, MES, (NH4)2SO4	Resolution 1.22 Å R-free 0.182
5BZP Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule Deposited 2015-06-11	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 21–171（151 aa） Fragment：HYALURONAN BINDING DOMAIN, RESIDUES 23-174	Mutation：H23M; Q24N	4XG 2-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG MME 5000, MES, (NH4)2SO4	Resolution 1.23 Å R-free 0.206
5BZQ Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule Deposited 2015-06-11	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 21–171（151 aa） Fragment：HYALURONAN BINDING DOMAIN, UNP RESIDUES 21-171	Mutation：H23M; Q24N	4XL 2-[3-(morpholin-4-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine × 1 DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG MME 5000, MES, (NH4)2SO4	Resolution 1.20 Å R-free 0.181
5BZR Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule Deposited 2015-06-11	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 21–171（151 aa） Fragment：HYALURONAN BINDING DOMAIN, RESIDUES 21-171	Mutation：H23M; Q24N	DMS DIMETHYL SULFOXIDE × 1 4XM 2-[3-(tetrahydro-2H-pyran-4-yloxy)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG MME 5000, MES, (NH4)2SO4	Resolution 1.15 Å R-free 0.188
5BZS Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule Deposited 2015-06-11	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 21–171（151 aa） Fragment：HYALURONAN BINDING DOMAIN, RESIDUES 21-171	Mutation：H23M; Q24N	4XK 2-[3-(tetrahydro-2H-pyran-4-yloxy)propyl]-1,2,3,4-tetrahydroisoquinolin-5-amine × 1 DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG MME 5000, MES, (NH4)2SO4	Resolution 1.50 Å R-free 0.242
5BZT Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule Deposited 2015-06-11	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 21–171（151 aa） Fragment：HYALURONAN BINDING DOMAIN, RESIDUES 21-171	Mutation：H23M; Q24N	DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 1 4XJ 2-(1,3-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinolin-8-amine × 2 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG MME 5000, MES, (NH4)2SO4	Resolution 1.25 Å R-free 0.192
5SBK CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z1258992717 Deposited 2021-09-14	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–172（150 aa）	Not recorded	89W N-[(3R)-piperidin-3-yl]benzamide × 1 DMS DIMETHYL SULFOXIDE × 2 EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	Resolution 1.23 Å R-free 0.226
5SBL CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z126932614 Deposited 2021-09-14	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–172（150 aa）	Not recorded	T6J 2-[(methylsulfonyl)methyl]-1H-benzimidazole × 1 DMS DIMETHYL SULFOXIDE × 3 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	Resolution 1.20 Å R-free 0.195
5SBM CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z1267885772 Deposited 2021-09-14	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–172（150 aa）	Not recorded	DMS DIMETHYL SULFOXIDE × 4 EDO 1,2-ETHANEDIOL × 2 8AB (3S)-3-methyl-1-(6-methylpyridin-2-yl)piperazine × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	Resolution 1.14 Å R-free 0.188
5SBN CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z57040482 Deposited 2021-09-14	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–172（150 aa）	Not recorded	9KS N-(2-hydroxyphenyl)acetamide × 1 DMS DIMETHYL SULFOXIDE × 3 EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	Resolution 1.18 Å R-free 0.195
5SBO CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z2856434878 Deposited 2021-09-14	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–172（150 aa）	Not recorded	8A5 4-[(3,4-dimethoxyphenyl)methyl]morpholine × 1 DMS DIMETHYL SULFOXIDE × 3 EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	Resolution 1.27 Å R-free 0.234
5SBP CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z1229798311 Deposited 2021-09-14	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–172（150 aa）	Not recorded	8BC 2-acetamido-6-fluorobenzoic acid × 1 DMS DIMETHYL SULFOXIDE × 3 EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	Resolution 1.27 Å R-free 0.204
5SBQ CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z44592329 Deposited 2021-09-14	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–172（150 aa）	Not recorded	K0G N-phenyl-N'-pyridin-3-ylurea × 1 PGE TRIETHYLENE GLYCOL × 1 DMS DIMETHYL SULFOXIDE × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	Resolution 0.99 Å R-free 0.171
5SBR CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z1259341012 Deposited 2021-09-14	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–172（150 aa）	Not recorded	8B2 (1R)-1-[4-(morpholin-4-yl)phenyl]ethan-1-amine × 1 DMS DIMETHYL SULFOXIDE × 3 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	Resolution 1.29 Å R-free 0.207
5SBS CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z340495298 Deposited 2021-09-14	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–172（150 aa）	Not recorded	8AK N-cyclopropyl-5-methyl-N-(propan-2-yl)-1,2-oxazole-3-carboxamide × 1 DMS DIMETHYL SULFOXIDE × 3 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	Resolution 1.02 Å R-free 0.194
5SBT CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z445856640 Deposited 2021-09-14	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–172（150 aa）	Not recorded	VZP N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-methyl-N'-propan-2-ylurea × 1 DMS DIMETHYL SULFOXIDE × 3 EDO 1,2-ETHANEDIOL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	Resolution 1.16 Å R-free 0.192
5SBU CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z839988838 Deposited 2021-09-14	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–172（150 aa）	Not recorded	8C2 N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]cyclohexanamine × 1 PGE TRIETHYLENE GLYCOL × 1 DMS DIMETHYL SULFOXIDE × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	Resolution 1.04 Å R-free 0.179
5SBV CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z31721798 Deposited 2021-09-14	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–172（150 aa）	Not recorded	NW4 3-cyclohexyl-1-(morpholin-4-yl)propan-1-one × 1 DMS DIMETHYL SULFOXIDE × 2 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	Resolution 1.11 Å R-free 0.209
5SBW CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z2856434874 Deposited 2021-09-14	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–172（150 aa）	Not recorded	O0M 1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol × 1 DMS DIMETHYL SULFOXIDE × 4 EDO 1,2-ETHANEDIOL × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	Resolution 1.15 Å R-free 0.190
5SBX CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z53825479 Deposited 2021-09-14	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–172（150 aa）	Not recorded	8BT N-cyclopentylmethanesulfonamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 DMS DIMETHYL SULFOXIDE × 2 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	Resolution 1.05 Å R-free 0.149
5SBY CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z1878656559 Deposited 2021-09-14	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–172（150 aa）	Not recorded	8BI (1R,2R)-2,4,4-trimethyl-N-[(1H-pyrazol-3-yl)methyl]cyclopentan-1-amine × 1 PEG DI(HYDROXYETHYL)ETHER × 1 DMS DIMETHYL SULFOXIDE × 3 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	Resolution 1.22 Å R-free 0.200
5SBZ CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z768399682 Deposited 2021-09-14	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–172（150 aa）	Not recorded	K0D [(2R,5S)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone × 1 DMS DIMETHYL SULFOXIDE × 3 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	Resolution 1.17 Å R-free 0.166
5SC0 CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z2856434899 Deposited 2021-09-14	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–172（150 aa）	Not recorded	T0Y 1-[(thiophen-3-yl)methyl]piperidin-4-ol × 1 DMS DIMETHYL SULFOXIDE × 3 EDO 1,2-ETHANEDIOL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	Resolution 1.19 Å R-free 0.169
5SC1 CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z431807512 Deposited 2021-09-14	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–172（150 aa）	Not recorded	8DH N-methyl-3-oxo-N-(propan-2-yl)piperazine-1-sulfonamide × 1 DMS DIMETHYL SULFOXIDE × 3 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	Resolution 1.17 Å R-free 0.174
5SC2 CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z190780124 Deposited 2021-09-14	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–172（150 aa）	Not recorded	8D8 (3S)-N-[(1R)-1-cyclopropylethyl]-2-oxo-2,3-dihydropyridine-3-carboxamide × 2 DMS DIMETHYL SULFOXIDE × 3 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	Resolution 1.21 Å R-free 0.185
5SC3 CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z422471910 Deposited 2021-09-14	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–172（150 aa）	Not recorded	8CZ N-[(1S)-1-cyclopropylethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide × 1 DMS DIMETHYL SULFOXIDE × 2 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	Resolution 1.24 Å R-free 0.172
5SC4 CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z927412236 Deposited 2021-09-14	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–172（150 aa）	Not recorded	8CN (2R)-2-amino-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one × 1 DMS DIMETHYL SULFOXIDE × 3 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	Resolution 1.17 Å R-free 0.155
5SC5 CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z56827661 Deposited 2021-09-14	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–172（150 aa）	Not recorded	VZY N-(3-methylbenzene-1-carbonyl)glycine × 1 DMS DIMETHYL SULFOXIDE × 2 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	Resolution 1.17 Å R-free 0.191
5SC6 CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with POB0019 Deposited 2021-09-14	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–172（150 aa）	Not recorded	8CH methyl (2S,3R)-1-(methanesulfonyl)-3-methylpiperidine-2-carboxylate × 1 DMS DIMETHYL SULFOXIDE × 3 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	Resolution 1.33 Å R-free 0.238
5SC7 CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with POB0120 Deposited 2021-09-14	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–172（150 aa）	Not recorded	W2M (2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one × 1 DMS DIMETHYL SULFOXIDE × 5 EDO 1,2-ETHANEDIOL × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	Resolution 1.20 Å R-free 0.182
9EJW MCMV immunoevasin m11 binding murine CD44 Deposited 2024-11-29	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 23–174（152 aa） Fragment：UNP residues 23-174	Not recorded	SO4 SULFATE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CYS CYSTEINE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；30% w/v PEG3000, 0.2 M lithium sulfate, 0.1 M Tris-HCl, pH 8.5	Resolution 1.40 Å R-free 0.202

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

View Construct and Data Evidence

UniProt name	CD44_MOUSE
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 2–150； UniProt 23–171

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	4mre
Deposition date deposition_date	2013-09-17
Structure title title	Crystal structure of the murine CD44 hyaluronan binding domain complex with a small molecule
Keywords keywords	Link module, Cell receptor, Hyaluronan binding, Cell surface, Cell adhesion-inhibitor complex; Cell adhesion/inhibitor
Experimental Method method	X-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier	15.83 Å
Radius of gyration Rg (electron density) rg_electron	14.71 Å
Forward intensity I(0) i0	5952940.00
Molecular weight molecular_weight	16886.0 kDa
Excluded volume excluded_volume	20783 Å³
Envelope volume envelope_volume	23021 Å³
Hydration-shell volume shell_volume	13238 Å³
Envelope diameter envelope_diameter	51.1 Å
Shell Rg shell_rg	20.54 Å
Envelope Rg envelope_rg	15.09 Å
Shape Rg shape_rg	14.70 Å
Total Rg total_rg	15.80 Å
Total atoms total_atoms	1184
Residues n_residues	150
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	47.1 Å
Rg (real space) rg_real	15.77 Å
Rg uncertainty (real space) rg_real_error	0.06 Å
I(0) (real space) i0_real	5.7670e+06
I(0) uncertainty (real space) i0_real_error	4.8310e+04
Rg (reciprocal space) rg_reciprocal	15.75 Å
I(0) (reciprocal space) i0_reciprocal	5953000.0000
Solution quality estimate total_estimate	0.6944
Solution quality rating solution_quality	REASONABLE a REASONABLE solution
P(r) peaks n_peaks	1
Primary peak position r_peak_primary	19.7 Å
Skewness Skewness skewness	0.205
Kurtosis Kurtosis kurtosis	-0.318
Angular range angular_range	— – 0.5000 Å⁻¹
Current regularization parameter α current_alpha	11.7900
Highest regularization parameter α highest_alpha	1042000.0000
Real-space data points n_real_points	80
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.940; Stabil: 0.923; Sysdev: 0.000; Positv: 1.000; Valcen: 0.988; Smooth: 0.469

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (4)

Entity 1 Entity 1 polymer

Description description	CD44 antigen
Molecular weight formula_weight	16724.6 kDa
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	1261

NQIDLNVTCRYAGVFHVEKNGRYSISRTEAADLCQAFNSTLPTMDQMKLALSKGFETCRYGFIEGNVVIPRIHPNAICAANHTGVYILVTSNTSHYDTYCFNASAPPEEDCTSVTDLPNSFDGPVTITIVNRDGTRYSKKGEYRTHQEDI

来源 Source

来源生物 organism	Mus musculus
通用名 common_name	mouse
NCBI Class编号 ncbi_taxonomy_id	10090
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 non-polymer

Description description	DIMETHYL SULFOXIDE
Molecular weight formula_weight	78.1 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 3 Entity 3 non-polymer

Description description	3-methylbenzene-1,2-diamine
Molecular weight formula_weight	122.2 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 4 Entity 4 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	56

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7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (2 domains)

Domain ID domain_id	d4mrea1
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.169 — C-type lectin-like
Superfamily Superfamily superfamily	d.169.1 — C-type lectin-like
Family Family family	d.169.1.4 — Link domain

Domain ID domain_id	d4mrea2
Class class	l — Artifacts
Fold Fold fold	l.1 — Tags
Superfamily Superfamily superfamily	l.1.1 — Tags
Family Family family	l.1.1.1 — Tags

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8. Citations (2)

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Unit-cell length a length_a	30.863 Å
Unit-cell length b length_b	82.242 Å
Unit-cell length c length_c	32.074 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	117.66 °
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	1.580 Å
Low-resolution limit resolution_low	41.120 Å
R factor r_factor	0.1855
R_work r_work	0.1834
R_free r_free	0.2234

fit	/app/data/saxs_computation/mr/4mre/4mre.fit
pddf	/app/data/pr_computation/mr/4mre/4mre.pr.out
profile	/app/data/saxs_computation/mr/4mre/4mre.dat