5bzk

Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule

Method: X-RAY DIFFRACTION D_max: 51.0 Å Quality: GOOD

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1. 蛋白身份与相关结构 Protein Identity & Related Structures

CD44 antigen

Mus musculus

当前结构中的状态

Assembly	聚集状态	构建体	突变与修饰	配体、离子与共同组分	实验方法与环境	结构质量
1	蛋白单体单体蛋白 × 1 PDB 声明：monomeric（1）与蛋白拷贝数一致	链 A； UniProt 21–171	未记录	DMS DIMETHYL SULFOXIDE × 1 4WP methyl 3-(3,4-dihydroisoquinolin-2(1H)-yl)propanoate × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；EG MME 5000, MES, (NH4)2SO4	分辨率 1.40 Å R-free 0.209

数据库中的同蛋白其他状态

以下每一行都是同一 UniProt 蛋白在另一个 PDB 条目中的 biological assembly， “相对当前条目”直接指出证据层面的不同；没有差异标签表示当前已读取字段一致。

其他 PDB	相对当前条目 5BZK	Assembly / 聚集状态	构建体	突变与修饰	配体、离子与非聚合物	实验方法与环境	结构质量
2JCP The hyaluronan binding domain of murine CD44 提交 2007-01-03	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 23–174（152 aa）片段：HYALURONAN BINDING DOMAIN, RESIDUES 23-174	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 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	分辨率 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 提交 2007-01-03	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合单体；蛋白 × 1 PDB 声明：monomeric	链 A 23–174（152 aa）片段：HYALURONAN BINDING DOMAIN, RESIDUES 23-174	未记录	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 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	分辨率 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 提交 2007-01-03	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合单体；蛋白 × 1 PDB 声明：monomeric	链 A 23–174（152 aa）片段：HYALURONAN BINDING DOMAIN, RESIDUES 23-174	未记录	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 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	分辨率 2.00 Å R-free 0.254
2ZPY Crystal structure of the mouse radxin FERM domain complexed with the mouse CD44 cytoplasmic peptide 提交 2008-07-31	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 708–727（20 aa）片段：residues 293-312	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 8.6；277 K；0.1M Tris, 0.2M Potassium thiocyanate, 15% PEG 3350 , pH 8.6, VAPOR DIFFUSION, temperature 277K	分辨率 2.10 Å R-free 0.256
4MRD Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule 提交 2013-09-17	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合单体；蛋白 × 1 PDB 声明：monomeric	链 A 23–171（149 aa）片段：HYALURONAN BINDING DOMAIN, RESIDUES 23-171	未记录	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 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	分辨率 2.55 Å R-free 0.245
4MRE Crystal structure of the murine CD44 hyaluronan binding domain complex with a small molecule 提交 2013-09-17	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 23–171（149 aa）片段：HYALURONAN BINDING DOMAIN, RESIDUES 23-171	未记录	DMS DIMETHYL SULFOXIDE × 1 2C9 3-methylbenzene-1,2-diamine × 1	X-RAY DIFFRACTION X-ray结晶条件 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	分辨率 1.58 Å R-free 0.223
4MRF Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule 提交 2013-09-17	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 23–171（149 aa）片段：HYALURONAN BINDING DOMAIN, RESIDUES 23-171	未记录	DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 1 2CK 1,2,3,4-tetrahydroisoquinoline × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 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	分辨率 1.55 Å R-free 0.215
4MRG Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule 提交 2013-09-17	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 23–171（149 aa）片段：HYALURONAN BINDING DOMAIN, RESIDUES 23-174	突变：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结晶条件 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	分辨率 1.69 Å R-free 0.206
4MRH Crystal structure of the murine CD44 hyaluronan binding domain complex with a small molecule 提交 2013-09-17	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 23–171（149 aa）片段：HYALURONAN BINDING DOMAIN, RESIDUES 23-171	未记录	2CQ 4-chloro-5-methylbenzene-1,2-diamine × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 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	分辨率 1.12 Å R-free 0.184
4NP2 Crystal structure of the murine CD44 hyaluronan binding domain complex with a small molecule 提交 2013-11-20	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 23–171（149 aa）片段：HYALURONAN BINDING DOMAIN, RESIDUES 23-171	未记录	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结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG MME 5000, MES, (NH4)2SO4, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.75 Å R-free 0.217
4NP3 Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule 提交 2013-11-20	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 23–171（149 aa）片段：HYALURONAN BINDING DOMAIN, RESIDUES 23-174	未记录	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结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG MME 5000, MES, (NH4)2SO4, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.61 Å R-free 0.225
5BZC Crystal structure of the murine CD44 hyaluronan binding domain complex with a small molecule 提交 2015-06-11	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 22–171（150 aa）片段：HYALURONAN BINDING DOMAIN, unp RESIDUES 21-171	未记录	4WT 4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG MME 5000, MES, (NH4)2SO4	分辨率 1.95 Å R-free 0.232
5BZE Crystal structure of the murine CD44 hyaluronan binding domain complex with a small molecule 提交 2015-06-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 23–171（149 aa）片段：HYALURONAN BINDING DOMAIN, RESIDUES 21-171	突变：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结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG MME 5000, MES, (NH4)2SO4	分辨率 1.31 Å R-free 0.195
5BZF Crystal structure of the murine CD44 hyaluronan binding domain complex with a small molecule 提交 2015-06-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 21–171（151 aa）片段：HYALURONAN BINDING DOMAIN, UNP RESIDUES 21-171	突变：H23M; Q24N	4X3 2-ethyl-1,2,3,4-tetrahydroisoquinolin-5-amine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG MME 5000, MES, (NH4)2SO4	分辨率 2.77 Å R-free 0.293
5BZG Crystal structure of the murine CD44 hyaluronan binding domain complex with a small molecule 提交 2015-06-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 21–171（151 aa）片段：HYALURONAN BINDING DOMAIN, UNP RESIDUES 21-171	突变：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结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG MME 5000, MES, (NH4)2SO4	分辨率 2.19 Å R-free 0.242
5BZH Crystal structure of the murine CD44 hyaluronan binding domain complex with a small molecule 提交 2015-06-11	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 21–171（151 aa）	突变：H23M, Q24N	DMS DIMETHYL SULFOXIDE × 1 4X1 3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-1-amine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；30% PEG MME 5000, 100 mM MES, 200 mM (NH4)2SO4	分辨率 1.95 Å R-free 0.227
5BZI Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule 提交 2015-06-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 21–171（151 aa）片段：HYALURONAN BINDING DOMAIN, RESIDUES 21-171	突变：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结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG MME 5000, MES, (NH4)2SO4	分辨率 1.32 Å R-free 0.202
5BZJ Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule 提交 2015-06-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 21–171（151 aa）片段：HYALURONAN BINDING DOMAIN, unp residues 21-171	突变：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结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG MME 5000, MES, (NH4)2SO4	分辨率 1.40 Å R-free 0.209
5BZL Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule 提交 2015-06-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 21–171（151 aa）片段：HYALURONAN BINDING DOMAIN, RESIDUES 21-171	突变：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结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG MME 5000, MES, (NH4)2SO4	分辨率 1.23 Å R-free 0.188
5BZM Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule 提交 2015-06-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 21–171（151 aa）片段：HYALURONAN BINDING DOMAIN, RESIDUES 21-171	突变：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结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG MME 5000, MES, (NH4)2SO4	分辨率 1.25 Å R-free 0.222
5BZN Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule 提交 2015-06-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 21–171（151 aa）片段：HYALURONAN BINDING DOMAIN, RESIDUES 21-171	突变：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结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG MME 5000, MES, (NH4)2SO4	分辨率 1.23 Å R-free 0.196
5BZO Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule 提交 2015-06-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 21–171（151 aa）片段：HYALURONAN BINDING DOMAIN, RESIDUES 21-171	突变：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结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG MME 5000, MES, (NH4)2SO4	分辨率 1.22 Å R-free 0.182
5BZP Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule 提交 2015-06-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 21–171（151 aa）片段：HYALURONAN BINDING DOMAIN, RESIDUES 23-174	突变：H23M; Q24N	4XG 2-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG MME 5000, MES, (NH4)2SO4	分辨率 1.23 Å R-free 0.206
5BZQ Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule 提交 2015-06-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 21–171（151 aa）片段：HYALURONAN BINDING DOMAIN, UNP RESIDUES 21-171	突变：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结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG MME 5000, MES, (NH4)2SO4	分辨率 1.20 Å R-free 0.181
5BZR Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule 提交 2015-06-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 21–171（151 aa）片段：HYALURONAN BINDING DOMAIN, RESIDUES 21-171	突变：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结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG MME 5000, MES, (NH4)2SO4	分辨率 1.15 Å R-free 0.188
5BZS Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule 提交 2015-06-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 21–171（151 aa）片段：HYALURONAN BINDING DOMAIN, RESIDUES 21-171	突变：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结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG MME 5000, MES, (NH4)2SO4	分辨率 1.50 Å R-free 0.242
5BZT Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule 提交 2015-06-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 21–171（151 aa）片段：HYALURONAN BINDING DOMAIN, RESIDUES 21-171	突变：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结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG MME 5000, MES, (NH4)2SO4	分辨率 1.25 Å R-free 0.192
5SBK CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z1258992717 提交 2021-09-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 23–172（150 aa）	未记录	89W N-[(3R)-piperidin-3-yl]benzamide × 1 DMS DIMETHYL SULFOXIDE × 2 EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	分辨率 1.23 Å R-free 0.226
5SBL CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z126932614 提交 2021-09-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 23–172（150 aa）	未记录	T6J 2-[(methylsulfonyl)methyl]-1H-benzimidazole × 1 DMS DIMETHYL SULFOXIDE × 3 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	分辨率 1.20 Å R-free 0.195
5SBM CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z1267885772 提交 2021-09-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 23–172（150 aa）	未记录	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结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	分辨率 1.14 Å R-free 0.188
5SBN CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z57040482 提交 2021-09-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 23–172（150 aa）	未记录	9KS N-(2-hydroxyphenyl)acetamide × 1 DMS DIMETHYL SULFOXIDE × 3 EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	分辨率 1.18 Å R-free 0.195
5SBO CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z2856434878 提交 2021-09-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 23–172（150 aa）	未记录	8A5 4-[(3,4-dimethoxyphenyl)methyl]morpholine × 1 DMS DIMETHYL SULFOXIDE × 3 EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	分辨率 1.27 Å R-free 0.234
5SBP CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z1229798311 提交 2021-09-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 23–172（150 aa）	未记录	8BC 2-acetamido-6-fluorobenzoic acid × 1 DMS DIMETHYL SULFOXIDE × 3 EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	分辨率 1.27 Å R-free 0.204
5SBQ CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z44592329 提交 2021-09-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 23–172（150 aa）	未记录	K0G N-phenyl-N'-pyridin-3-ylurea × 1 PGE TRIETHYLENE GLYCOL × 1 DMS DIMETHYL SULFOXIDE × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	分辨率 0.99 Å R-free 0.171
5SBR CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z1259341012 提交 2021-09-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 23–172（150 aa）	未记录	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结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	分辨率 1.29 Å R-free 0.207
5SBS CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z340495298 提交 2021-09-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 23–172（150 aa）	未记录	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结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	分辨率 1.02 Å R-free 0.194
5SBT CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z445856640 提交 2021-09-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 23–172（150 aa）	未记录	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结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	分辨率 1.16 Å R-free 0.192
5SBU CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z839988838 提交 2021-09-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 23–172（150 aa）	未记录	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结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	分辨率 1.04 Å R-free 0.179
5SBV CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z31721798 提交 2021-09-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 23–172（150 aa）	未记录	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结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	分辨率 1.11 Å R-free 0.209
5SBW CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z2856434874 提交 2021-09-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 23–172（150 aa）	未记录	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结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	分辨率 1.15 Å R-free 0.190
5SBX CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z53825479 提交 2021-09-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 23–172（150 aa）	未记录	8BT N-cyclopentylmethanesulfonamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 DMS DIMETHYL SULFOXIDE × 2 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	分辨率 1.05 Å R-free 0.149
5SBY CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z1878656559 提交 2021-09-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 23–172（150 aa）	未记录	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结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	分辨率 1.22 Å R-free 0.200
5SBZ CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z768399682 提交 2021-09-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 23–172（150 aa）	未记录	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结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	分辨率 1.17 Å R-free 0.166
5SC0 CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z2856434899 提交 2021-09-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 23–172（150 aa）	未记录	T0Y 1-[(thiophen-3-yl)methyl]piperidin-4-ol × 1 DMS DIMETHYL SULFOXIDE × 3 EDO 1,2-ETHANEDIOL × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	分辨率 1.19 Å R-free 0.169
5SC1 CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z431807512 提交 2021-09-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 23–172（150 aa）	未记录	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结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	分辨率 1.17 Å R-free 0.174
5SC2 CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z190780124 提交 2021-09-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 23–172（150 aa）	未记录	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结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	分辨率 1.21 Å R-free 0.185
5SC3 CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z422471910 提交 2021-09-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 23–172（150 aa）	未记录	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结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	分辨率 1.24 Å R-free 0.172
5SC4 CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z927412236 提交 2021-09-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 23–172（150 aa）	未记录	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结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	分辨率 1.17 Å R-free 0.155
5SC5 CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z56827661 提交 2021-09-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 23–172（150 aa）	未记录	VZY N-(3-methylbenzene-1-carbonyl)glycine × 1 DMS DIMETHYL SULFOXIDE × 2 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	分辨率 1.17 Å R-free 0.191
5SC6 CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with POB0019 提交 2021-09-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 23–172（150 aa）	未记录	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结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	分辨率 1.33 Å R-free 0.238
5SC7 CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with POB0120 提交 2021-09-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 23–172（150 aa）	未记录	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结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME	分辨率 1.20 Å R-free 0.182
9EJW MCMV immunoevasin m11 binding murine CD44 提交 2024-11-29	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 23–174（152 aa）片段：UNP residues 23-174	未记录	SO4 SULFATE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CYS CYSTEINE × 1	X-RAY DIFFRACTION X-ray结晶条件 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	分辨率 1.40 Å R-free 0.202

共 52 个其他 PDB 条目、52 个 assembly。打开独立比较页并筛选聚集状态

查看构建体与数据证据

UniProt名称	CD44_MOUSE
Isoform	—
PDB实体	1
链与序列区间	作者链 A； PDB构建体 1–151； UniProt 21–171

页面优先展示蛋白身份、当前 assembly、共同组分、聚集状态和跨 PDB 结构链接。链映射与序列区间收在“数据证据”中；数据库内部编号、导入时间和 assembly 操作表达式仅用于维护，因此不在读者页面展示。

SAXS 散射曲线 SAXS Profile

P(r) 距离分布 P(r) Distribution

下载 Download SAXS (.dat) P(r) (.pr.out) CIF

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2. 结构基本信息 2. Structure Basics

条目编号 entry_id	5bzk
沉积日期 deposition_date	2015-06-11
结构标题 title	Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
关键词 keywords	Link module, PROTEIN BINDING; PROTEIN BINDING
实验方法 method	X-RAY DIFFRACTION

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3. SAXS 参数 (CRYSOL 理论计算) 3. SAXS Parameters (CRYSOL)

回转半径 Rg (Guinier) rg_guinier	15.80 Å
回转半径 Rg (电子) rg_electron	14.70 Å
零角强度 I(0) i0	5987900.00
分子量 molecular_weight	17075.0 kDa
排除体积 excluded_volume	21050 Å³
包络体积 envelope_volume	23101 Å³
水化壳体积 shell_volume	13312 Å³
包络直径 envelope_diameter	51.0 Å
壳层 Rg shell_rg	20.49 Å
包络 Rg envelope_rg	15.02 Å
形状 Rg shape_rg	14.68 Å
总 Rg total_rg	15.76 Å
总原子数 total_atoms	1197
残基数 n_residues	150
球谐函数阶数 n_harmonics	20
q 范围 q_range	— – 0.5000 Å⁻¹
数据点数 n_points	101
壳层类型 shell_type	directional
溶剂电子密度 solvent_density	0.3340 e/Å³
壳层衬度 contrast_shell	0.0300 e/Å³
CRYSOL 版本 crysol_version	4.1.3

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4. P(r) 距离分布 (GNOM 反演) 4. P(r) Analysis (GNOM)

最大尺寸 Dmax dmax	51.0 Å
Rg (实空间) rg_real	15.71 Å
Rg 误差 (实空间) rg_real_error	0.23 Å
I(0) (实空间) i0_real	5.9880e+06
I(0) 误差 (实空间) i0_real_error	6.1140e+04
Rg (倒空间) rg_reciprocal	15.72 Å
I(0) (倒空间) i0_reciprocal	5988000.0000
解质量估计 total_estimate	0.8835
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	20.0 Å
偏度 Skewness skewness	0.177
峰度 Kurtosis kurtosis	-0.334
角度范围 angular_range	— – 0.5000 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	1116000.0000
实空间数据点数 n_real_points	80
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.835; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.981

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5. 晶体学与实验 5. Crystallography & Experiment

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6. 实体与聚合物信息 Entities & Polymers (5)

实体 1 Entity 1 polymer

描述 description	CD44 antigen
分子量 formula_weight	16855.8 kDa
来源方法 src_method	man
拷贝数 entity_count	1

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	A
原子数 atom_count	1359

MNQIDLNVTCRYAGVFHVEKNGRYSISRTEAADLCQAFNSTLPTMDQMKLALSKGFETCRYGFIEGNVVIPRIHPNAICAANHTGVYILVTSNTSHYDTYCFNASAPPEEDCTSVTDLPNSFDGPVTITIVNRDGTRYSKKGEYRTHQEDI

来源 Source

来源生物 organism	Mus musculus
通用名 common_name	Mouse
NCBI 分类编号 ncbi_taxonomy_id	10090
宿主生物 host_organism	Escherichia coli

实体 2 Entity 2 non-polymer

描述 description	DIMETHYL SULFOXIDE
分子量 formula_weight	78.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

实体 3 Entity 3 non-polymer

描述 description	methyl 3-(3,4-dihydroisoquinolin-2(1H)-yl)propanoate
分子量 formula_weight	219.3 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

实体 4 Entity 4 non-polymer

描述 description	GLYCEROL
分子量 formula_weight	92.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

实体 5 Entity 5 water

描述 description	water
分子量 formula_weight	18.0 kDa
来源方法 src_method	nat
拷贝数 entity_count	71

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7. 折叠分类 (SCOP + CATH) 1 domains

SCOP 2.08 (1 domains)

结构域编号 domain_id	d5bzka_
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.169 — C-type lectin-like
超家族 Superfamily superfamily	d.169.1 — C-type lectin-like
家族 Family family	d.169.1.4 — Link domain

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8. 引用文献 (1)

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晶胞边长 a length_a	30.804 Å
晶胞边长 b length_b	81.745 Å
晶胞边长 c length_c	32.279 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	118.14 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	2

空间群 space_group	P 1 21 1
空间群编号 int_tables_number	4
晶系 crystal_system	—

分辨率 resolution	1.400 Å
最低分辨率 resolution_low	40.870 Å
R 因子 r_factor	0.1885
R_work r_work	0.1875
R_free r_free	0.2086

fit	/app/data/saxs_computation/bz/5bzk/5bzk.fit
pddf	/app/data/pr_computation/bz/5bzk/5bzk.pr.out
profile	/app/data/saxs_computation/bz/5bzk/5bzk.dat