6wm1

Crystal structure of the Grb2 SH2 domain in complex with a tripeptide: Ac-pY-Ac6c-N-phenylpropyl

Method: X-RAY DIFFRACTION D_max: 58.9 Å Quality: GOOD

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

Growth factor receptor-bound protein 2

Homo sapiens

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	蛋白异源复合物异源复合物蛋白 × 2 PDB 声明：dimeric（2）与蛋白拷贝数一致	链 A； UniProt 53–163	片段：SH2 Domain	ACE-PTR-02K-ASN-PRA × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；An aqueous solution containing a 1.5 molar ratio of ligand to protein, 10 mg/mL, was prepared. 4.0 ul of this solution was mixed with 3.0 ul precipitant solution containing 0.1 M HEPES, pH 7.5, and 25% w/v polyethylene glycol, MW 10,000, and allowed to equilibrate with 350 ul of the aforementioned precipitant well solution at 298 K. Useable crystals grew after 4 weeks	分辨率 1.80 Å R-free 0.245
2	蛋白异源复合物异源复合物蛋白 × 2 PDB 声明：dimeric（2）与蛋白拷贝数一致	链 C； UniProt 53–163	片段：SH2 Domain	ACE-PTR-02K-ASN-PRA × 1 GOL GLYCEROL × 2 CA CALCIUM ION × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；An aqueous solution containing a 1.5 molar ratio of ligand to protein, 10 mg/mL, was prepared. 4.0 ul of this solution was mixed with 3.0 ul precipitant solution containing 0.1 M HEPES, pH 7.5, and 25% w/v polyethylene glycol, MW 10,000, and allowed to equilibrate with 350 ul of the aforementioned precipitant well solution at 298 K. Useable crystals grew after 4 weeks	分辨率 1.80 Å R-free 0.245

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 6WM1	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
1AZE NMR STRUCTURE OF THE COMPLEX BETWEEN THE C32S-Y7V MUTANT OF THE NSH3 DOMAIN OF GRB2 WITH A PEPTIDE FROM SOS, 10 STRUCTURES 提交 1997-11-17	构建体不同突变/修饰不同实验方法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 A 1–56（56 aa）片段：N-TERMINAL SH3 DOMAIN, RESIDUES 1 - 55	突变：Y7V, C32S	未记录非水小分子	SOLUTION NMR NMR测量条件 pH 6；293 K；离子强度（mmCIF原始值）NACL 100mM；压力 1 NMR样品组成 H2O, PHOSPHATE BUFFER 20MM, NACL 100MM	分辨率未提供
1BMB GRB2-SH2 DOMAIN IN COMPLEX WITH KPFY*VNVEF (PKF270-974) 提交 1998-07-23	构建体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 A 46–168（123 aa）片段：SH2 DOMAIN	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 pH 6.5；PROTEIN (15MG/ML IN 100MM SODIUM CHLORIDE, 0.02% SODIUM AZIDE) WAS CRYSTALLIZED FROM 46% SATURATED AMMONIUM SULFATE, 100MM SODIUM MES PH 6.5, IN PRESENCE OF A 2-FOLD EXCESS OF LIGAND	分辨率 1.80 Å R-free 0.218
1BMB GRB2-SH2 DOMAIN IN COMPLEX WITH KPFY*VNVEF (PKF270-974) 提交 1998-07-23	构建体不同聚集状态不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 A 46–168（123 aa）片段：SH2 DOMAIN	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 pH 6.5；PROTEIN (15MG/ML IN 100MM SODIUM CHLORIDE, 0.02% SODIUM AZIDE) WAS CRYSTALLIZED FROM 46% SATURATED AMMONIUM SULFATE, 100MM SODIUM MES PH 6.5, IN PRESENCE OF A 2-FOLD EXCESS OF LIGAND	分辨率 1.80 Å R-free 0.218
1CJ1 GROWTH FACTOR RECEPTOR BINDING PROTEIN SH2 DOMAIN (HUMAN) COMPLEXED WITH A PHOSPHOTYROSYL DERIVATIVE 提交 1999-04-21	构建体不同突变/修饰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 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 57–152（96 aa）片段：SH2 DOMAIN 链 B 57–152（96 aa）片段：SH2 DOMAIN	未记录	C78 [1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLCARBAMOYL)-CYCLOHEXYLCARBAMOYL]-2-(4-PHOSPHONOOXY-PHENYL)- ETHYL]-CARBAMIC ACID 3-AMINOBENZYLESTER × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7.5；0.1 M HEPES.NA PH 7.5 1.4 M NA- ACETATE, VAPOR DIFFUSION	分辨率 3.00 Å R-free 0.317
1CJ1 GROWTH FACTOR RECEPTOR BINDING PROTEIN SH2 DOMAIN (HUMAN) COMPLEXED WITH A PHOSPHOTYROSYL DERIVATIVE 提交 1999-04-21	构建体不同突变/修饰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 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 C 57–152（96 aa）片段：SH2 DOMAIN 链 D 57–152（96 aa）片段：SH2 DOMAIN	未记录	C78 [1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLCARBAMOYL)-CYCLOHEXYLCARBAMOYL]-2-(4-PHOSPHONOOXY-PHENYL)- ETHYL]-CARBAMIC ACID 3-AMINOBENZYLESTER × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7.5；0.1 M HEPES.NA PH 7.5 1.4 M NA- ACETATE, VAPOR DIFFUSION	分辨率 3.00 Å R-free 0.317
1CJ1 GROWTH FACTOR RECEPTOR BINDING PROTEIN SH2 DOMAIN (HUMAN) COMPLEXED WITH A PHOSPHOTYROSYL DERIVATIVE 提交 1999-04-21	构建体不同突变/修饰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 3 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 E 57–152（96 aa）片段：SH2 DOMAIN 链 F 57–152（96 aa）片段：SH2 DOMAIN	未记录	C78 [1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLCARBAMOYL)-CYCLOHEXYLCARBAMOYL]-2-(4-PHOSPHONOOXY-PHENYL)- ETHYL]-CARBAMIC ACID 3-AMINOBENZYLESTER × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7.5；0.1 M HEPES.NA PH 7.5 1.4 M NA- ACETATE, VAPOR DIFFUSION	分辨率 3.00 Å R-free 0.317
1CJ1 GROWTH FACTOR RECEPTOR BINDING PROTEIN SH2 DOMAIN (HUMAN) COMPLEXED WITH A PHOSPHOTYROSYL DERIVATIVE 提交 1999-04-21	构建体不同突变/修饰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 4 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 G 57–152（96 aa）片段：SH2 DOMAIN 链 H 57–152（96 aa）片段：SH2 DOMAIN	未记录	C78 [1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLCARBAMOYL)-CYCLOHEXYLCARBAMOYL]-2-(4-PHOSPHONOOXY-PHENYL)- ETHYL]-CARBAMIC ACID 3-AMINOBENZYLESTER × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7.5；0.1 M HEPES.NA PH 7.5 1.4 M NA- ACETATE, VAPOR DIFFUSION	分辨率 3.00 Å R-free 0.317
1CJ1 GROWTH FACTOR RECEPTOR BINDING PROTEIN SH2 DOMAIN (HUMAN) COMPLEXED WITH A PHOSPHOTYROSYL DERIVATIVE 提交 1999-04-21	构建体不同突变/修饰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 5 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 I 57–152（96 aa）片段：SH2 DOMAIN 链 J 57–152（96 aa）片段：SH2 DOMAIN	未记录	C78 [1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLCARBAMOYL)-CYCLOHEXYLCARBAMOYL]-2-(4-PHOSPHONOOXY-PHENYL)- ETHYL]-CARBAMIC ACID 3-AMINOBENZYLESTER × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7.5；0.1 M HEPES.NA PH 7.5 1.4 M NA- ACETATE, VAPOR DIFFUSION	分辨率 3.00 Å R-free 0.317
1CJ1 GROWTH FACTOR RECEPTOR BINDING PROTEIN SH2 DOMAIN (HUMAN) COMPLEXED WITH A PHOSPHOTYROSYL DERIVATIVE 提交 1999-04-21	构建体不同突变/修饰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 6 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 K 57–152（96 aa）片段：SH2 DOMAIN 链 L 57–152（96 aa）片段：SH2 DOMAIN	未记录	C78 [1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLCARBAMOYL)-CYCLOHEXYLCARBAMOYL]-2-(4-PHOSPHONOOXY-PHENYL)- ETHYL]-CARBAMIC ACID 3-AMINOBENZYLESTER × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7.5；0.1 M HEPES.NA PH 7.5 1.4 M NA- ACETATE, VAPOR DIFFUSION	分辨率 3.00 Å R-free 0.317
1FHS THE THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE SRC HOMOLOGY DOMAIN-2 OF THE GROWTH FACTOR RECEPTOR BOUND PROTEIN-2, NMR, 18 STRUCTURES 提交 1997-06-12	构建体不同聚集状态不同实验方法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 53–163（111 aa）片段：SH2 DOMAIN	未记录	未记录非水小分子	SOLUTION NMR NMR测量条件 pH 5.3；298 K	分辨率未提供
1GCQ CRYSTAL STRUCTURE OF VAV AND GRB2 SH3 DOMAINS 提交 2000-08-08	构建体不同突变/修饰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 × 3 PDB 声明：trimeric	链 A 159–217（59 aa）片段：C-TERMINAL SH3 DOMAIN 链 B 159–217（59 aa）片段：C-TERMINAL SH3 DOMAIN	未记录	MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293.2 K；2-methyl-2,4-pentanediol, imidazole, magnesium chloride, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.2K	分辨率 1.68 Å R-free 0.235
1GFC SOLUTION STRUCTURE AND LIGAND-BINDING SITE OF THE C-TERMINAL SH3 DOMAIN OF GRB2 提交 1994-06-13	构建体不同聚集状态不同实验方法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 159–215（57 aa）	未记录	未记录非水小分子	SOLUTION NMR mmCIF 未提供已读取条件	分辨率未提供
1GFD SOLUTION STRUCTURE AND LIGAND-BINDING SITE OF THE C-TERMINAL SH3 DOMAIN OF GRB2 提交 1994-06-13	构建体不同聚集状态不同实验方法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 159–215（57 aa）	未记录	未记录非水小分子	SOLUTION NMR mmCIF 未提供已读取条件	分辨率未提供
1GHU NMR solution structure of growth factor receptor-bound protein 2 (GRB2) SH2 domain, 24 structures 提交 1996-08-05	构建体不同突变/修饰不同聚集状态不同实验方法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 60–158（99 aa）片段：SH2 DOMAIN	突变：RESIDUES 58-59, 159-164 ARE CLONING ARTIFACTS	未记录非水小分子	SOLUTION NMR NMR测量条件 pH 6.2；298 K	分辨率未提供
1GRI GRB2 提交 1995-02-28	构建体不同突变/修饰不同聚集状态不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–217（217 aa）链 B 1–217（217 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 3.10 Å
1IO6 GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2 (GRB2) C-TERMINAL SH3 DOMAIN COMPLEXED WITH A LIGAND PEPTIDE (NMR, MINIMIZED MEAN STRUCTURE) 提交 2001-01-25	构建体不同实验方法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 A 159–215（57 aa）片段：C-TERMINAL SH3(RESIDUE 159-215)	未记录	未记录非水小分子	SOLUTION NMR NMR测量条件 pH 7.2；298 K	分辨率未提供
1JYR Xray Structure of Grb2 SH2 Domain Complexed with a Phosphorylated Peptide 提交 2001-09-13	构建体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 A 60–151（92 aa）片段：SH2 Domain	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；291 K；ammonium phosphate, PEG400, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 1.55 Å R-free 0.228
1JYR Xray Structure of Grb2 SH2 Domain Complexed with a Phosphorylated Peptide 提交 2001-09-13	构建体不同聚集状态不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 A 60–151（92 aa）片段：SH2 Domain	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；291 K；ammonium phosphate, PEG400, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 1.55 Å R-free 0.228
1JYU Xray Structure of Grb2 SH2 Domain 提交 2001-09-13	构建体不同聚集状态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 60–151（92 aa）片段：SH2 Domain	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；291 K；PEG4000, glycerol, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 2.75 Å R-free 0.287
1JYU Xray Structure of Grb2 SH2 Domain 提交 2001-09-13	构建体不同聚集状态不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 8 PDB 声明：octameric	链 A 60–151（92 aa）片段：SH2 Domain	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；291 K；PEG4000, glycerol, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 2.75 Å R-free 0.287
1QG1 GROWTH FACTOR RECEPTOR BINDING PROTEIN SH2 DOMAIN COMPLEXED WITH AN SHC-DERIVED PEPTIDE 提交 1999-04-19	构建体不同实验方法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 E 58–159（102 aa）片段：SH2	未记录	未记录非水小分子	SOLUTION NMR NMR测量条件 pH 6.3；301 K	分辨率未提供
1X0N NMR structure of growth factor receptor binding protein SH2 domain complexed with the inhibitor 提交 2005-03-24	构建体不同聚集状态不同配体/离子不同实验方法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 58–159（102 aa）片段：SH2 DOMAIN	未记录	DTF 4-[(10S,14S,18S)-18-(2-AMINO-2-OXOETHYL)-14-(1-NAPHTHYLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL]BENZYLPHOSPHONIC ACID × 1	SOLUTION NMR NMR测量条件 pH 6.3；298 K；压力 1 NMR样品组成 1mM SH2 U-13C, 15N; 20mM sodium phosphate; 150mM NaCl \| 90% H2O/10% D2O	分辨率未提供
2AOA Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the Grb2 SH2 domain 提交 2005-08-12	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 55–153（99 aa）片段：SH2 (residues 55 - 153)	未记录	S1S 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 5.7；298 K；PEG3350, sodium chloride, sodium acetate, pH 5.7, VAPOR DIFFUSION, temperature 298K	分辨率 1.99 Å R-free 0.307
2AOA Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the Grb2 SH2 domain 提交 2005-08-12	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 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 55–153（99 aa）片段：SH2 (residues 55 - 153)	未记录	S1S 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID × 1 P33 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 5.7；298 K；PEG3350, sodium chloride, sodium acetate, pH 5.7, VAPOR DIFFUSION, temperature 298K	分辨率 1.99 Å R-free 0.307
2AOA Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the Grb2 SH2 domain 提交 2005-08-12	构建体不同突变/修饰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 3 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 55–153（99 aa）片段：SH2 (residues 55 - 153) 链 B 55–153（99 aa）片段：SH2 (residues 55 - 153)	未记录	S1S 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID × 3 P33 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 5.7；298 K；PEG3350, sodium chloride, sodium acetate, pH 5.7, VAPOR DIFFUSION, temperature 298K	分辨率 1.99 Å R-free 0.307
2AOB Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the Grb2 SH2 domain 提交 2005-08-12	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 55–153（99 aa）片段：SH2 (residues 55 - 153)	未记录	S1S 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 5.7；298 K；PEG 3350, sodium acetate, sodium chloride, pH 5.7, VAPOR DIFFUSION, temperature 298K	分辨率 1.80 Å R-free 0.293
2AOB Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the Grb2 SH2 domain 提交 2005-08-12	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 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 55–153（99 aa）片段：SH2 (residues 55 - 153)	未记录	S1S 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 5.7；298 K；PEG 3350, sodium acetate, sodium chloride, pH 5.7, VAPOR DIFFUSION, temperature 298K	分辨率 1.80 Å R-free 0.293
2AOB Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the Grb2 SH2 domain 提交 2005-08-12	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 3 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 55–153（99 aa）片段：SH2 (residues 55 - 153)	未记录	S1S 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 5.7；298 K；PEG 3350, sodium acetate, sodium chloride, pH 5.7, VAPOR DIFFUSION, temperature 298K	分辨率 1.80 Å R-free 0.293
2AOB Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the Grb2 SH2 domain 提交 2005-08-12	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 4 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 D 55–153（99 aa）片段：SH2 (residues 55 - 153)	未记录	S1S 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 5.7；298 K；PEG 3350, sodium acetate, sodium chloride, pH 5.7, VAPOR DIFFUSION, temperature 298K	分辨率 1.80 Å R-free 0.293
2AOB Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the Grb2 SH2 domain 提交 2005-08-12	构建体不同突变/修饰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 5 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 C 55–153（99 aa）片段：SH2 (residues 55 - 153) 链 D 55–153（99 aa）片段：SH2 (residues 55 - 153)	未记录	S1S 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID × 6	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 5.7；298 K；PEG 3350, sodium acetate, sodium chloride, pH 5.7, VAPOR DIFFUSION, temperature 298K	分辨率 1.80 Å R-free 0.293
2AOB Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the Grb2 SH2 domain 提交 2005-08-12	构建体不同突变/修饰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 6 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 55–153（99 aa）片段：SH2 (residues 55 - 153) 链 B 55–153（99 aa）片段：SH2 (residues 55 - 153)	未记录	S1S 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID × 6	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 5.7；298 K；PEG 3350, sodium acetate, sodium chloride, pH 5.7, VAPOR DIFFUSION, temperature 298K	分辨率 1.80 Å R-free 0.293
2H5K Crystal Structure of Complex Between the Domain-Swapped Dimeric Grb2 SH2 Domain and Shc-Derived Ligand, Ac-NH-pTyr-Val-Asn-NH2 提交 2006-05-26	构建体不同突变/修饰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 × 3 PDB 声明：trimeric	链 A 53–162（110 aa）片段：SH2 Domain 链 B 53–162（110 aa）片段：SH2 Domain	未记录	CAC CACODYLATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；Protein-ligand solution in 25 mM sodium cacodylate, pH 6.0 mixed with equal volume of 0.1 M sodium cacodylate, 0.1 M calcium acetate, 18% PEG 8000, pH 6.0., VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 3.25 Å R-free 0.300
2HUW X-ray crystal structure of the Grb2 SH2 domain complexed to a constrained and cyclopropane-derived ligand 提交 2006-07-27	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 53–162（110 aa）片段：SH2 domain	未记录	YVN N-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-L-valyl-L-aspartamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；Ligand (cpYVN) was added to a 1.5 molar excess to a solution of 50 mg/ml Grb2-SH2 in 50 mM sodium cacodylate at PH 6.0. This solution was mixed with an equal volume of 4% (v/v) PEG 400, 2.0 M (NH4)2PO4., VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 1.90 Å R-free 0.227
2HUW X-ray crystal structure of the Grb2 SH2 domain complexed to a constrained and cyclopropane-derived ligand 提交 2006-07-27	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 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 53–162（110 aa）片段：SH2 domain	未记录	YVN N-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-L-valyl-L-aspartamide × 1 PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；Ligand (cpYVN) was added to a 1.5 molar excess to a solution of 50 mg/ml Grb2-SH2 in 50 mM sodium cacodylate at PH 6.0. This solution was mixed with an equal volume of 4% (v/v) PEG 400, 2.0 M (NH4)2PO4., VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 1.90 Å R-free 0.227
2VVK Grb2 SH3C (1) 提交 2008-06-09	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 161–214（54 aa）片段：SH3 DOMAIN, RESIDUES 161-214	未记录	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 4.6；8% PEG 4K, 0.1M NAACETATE PH 4.6	分辨率 1.60 Å R-free 0.178
2VWF Grb2 SH3C (2) 提交 2008-06-24	构建体不同突变/修饰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 A 159–214（56 aa）片段：SH3 DOMAIN, RESIDUES 159-214	突变：YES	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 pH 7；2M TRI-AMMONIUM CITRATE, 0.1M BIS-TRIS PROPANE PH7, pH 7.0	分辨率 1.58 Å R-free 0.219
2W0Z Grb2 SH3C (3) 提交 2008-10-13	构建体不同突变/修饰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 A 159–214（56 aa）片段：SH3 DOMAIN, RESIDUES 159-214	突变：YES	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；0.7 M TRISODIUM CITRATE, 0.1 M TRIS PH 8.5	分辨率 1.70 Å R-free 0.206
3C7I X-RAY crystal structure of the complex between the grb2-sh2 domain and a flexible ligand, FPTVN. 提交 2008-02-07	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 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 53–162（110 aa）	未记录	TVN N-{(2R)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-valyl-L-aspartamide × 2 FMT FORMIC ACID × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；LIGAND (FPTVN) was added in a 1.5 molar excess to 15 MG/ML GRB2-SH2 in pure water. This solution was mixed with an equal volume of 4.0 m sodium formate., pH 5.00, VAPOR DIFFUSION, HANGING DROP, temperature 293KK	分辨率 1.70 Å R-free 0.234
3IMD Crystal Structure of the Grb2 SH2 Domain in Complex with a Flexible Ac-pY-Q-N-NH2 Tripeptide Mimic 提交 2009-08-10	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 53–163（111 aa）片段：SH2 domain	未记录	FYQ N~2~-{(2R)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-glutaminyl-L-aspartamide × 1 CL CHLORIDE ION × 3 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；Ligand in lyphilized powder form was dissolved in a 9.1 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 2:1. 3 uL of this solution was mixed with 4 uL of 0.2 M MgCl2 x 6H2O, 30% w/v PEG MW4000, 0.1 M TRIS, pH 8.5 to create the hanging drop, which yielded crystals of the protein-ligand complex in the presence of the above-mentioned solution after four weeks at room temperature., VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.00 Å R-free 0.237
3IMD Crystal Structure of the Grb2 SH2 Domain in Complex with a Flexible Ac-pY-Q-N-NH2 Tripeptide Mimic 提交 2009-08-10	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 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 53–163（111 aa）片段：SH2 domain	未记录	FYQ N~2~-{(2R)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-glutaminyl-L-aspartamide × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；Ligand in lyphilized powder form was dissolved in a 9.1 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 2:1. 3 uL of this solution was mixed with 4 uL of 0.2 M MgCl2 x 6H2O, 30% w/v PEG MW4000, 0.1 M TRIS, pH 8.5 to create the hanging drop, which yielded crystals of the protein-ligand complex in the presence of the above-mentioned solution after four weeks at room temperature., VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.00 Å R-free 0.237
3IMD Crystal Structure of the Grb2 SH2 Domain in Complex with a Flexible Ac-pY-Q-N-NH2 Tripeptide Mimic 提交 2009-08-10	构建体不同突变/修饰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 3 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 53–163（111 aa）片段：SH2 domain 链 B 53–163（111 aa）片段：SH2 domain	未记录	FYQ N~2~-{(2R)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-glutaminyl-L-aspartamide × 2 CL CHLORIDE ION × 4 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；Ligand in lyphilized powder form was dissolved in a 9.1 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 2:1. 3 uL of this solution was mixed with 4 uL of 0.2 M MgCl2 x 6H2O, 30% w/v PEG MW4000, 0.1 M TRIS, pH 8.5 to create the hanging drop, which yielded crystals of the protein-ligand complex in the presence of the above-mentioned solution after four weeks at room temperature., VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.00 Å R-free 0.237
3IMJ Crystal Structure of the Grb2 SH2 Domain in Complex with a Cyclopropyl-constrained Ac-pTyr-Ile-Asn-NH2 Tripeptide Mimic 提交 2009-08-10	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 53–163（111 aa）片段：SH2 domain	未记录	AYI (1R,2S,3R,1S',1S")Phosphoric acid mono(4-{2-[1-(1,2-dicarbamoylethylcarbamoyl)-3-carbamoylpropylcarbamoyl]-3-methylcarbamoylcyclopropyl}phenyl) ester × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；Ligand in lyophilized powder form was dissolved in a 11.2 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 2:1. 4 uL of this solution was mixed with 3 uL of 0.2 M ammonium acetate, 0.1 M sodium acetate, 30% v/v PEG MW4000, pH 4.6 to create the hanging drop, which yielded crystals of the protein-ligand complex in the presence of the above-mentioned solution after four weeks at room temperature., VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.02 Å R-free 0.229
3IMJ Crystal Structure of the Grb2 SH2 Domain in Complex with a Cyclopropyl-constrained Ac-pTyr-Ile-Asn-NH2 Tripeptide Mimic 提交 2009-08-10	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 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 53–163（111 aa）片段：SH2 domain	未记录	AYI (1R,2S,3R,1S',1S")Phosphoric acid mono(4-{2-[1-(1,2-dicarbamoylethylcarbamoyl)-3-carbamoylpropylcarbamoyl]-3-methylcarbamoylcyclopropyl}phenyl) ester × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；Ligand in lyophilized powder form was dissolved in a 11.2 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 2:1. 4 uL of this solution was mixed with 3 uL of 0.2 M ammonium acetate, 0.1 M sodium acetate, 30% v/v PEG MW4000, pH 4.6 to create the hanging drop, which yielded crystals of the protein-ligand complex in the presence of the above-mentioned solution after four weeks at room temperature., VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.02 Å R-free 0.229
3IMJ Crystal Structure of the Grb2 SH2 Domain in Complex with a Cyclopropyl-constrained Ac-pTyr-Ile-Asn-NH2 Tripeptide Mimic 提交 2009-08-10	构建体不同突变/修饰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 3 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 53–163（111 aa）片段：SH2 domain 链 B 53–163（111 aa）片段：SH2 domain	未记录	AYI (1R,2S,3R,1S',1S")Phosphoric acid mono(4-{2-[1-(1,2-dicarbamoylethylcarbamoyl)-3-carbamoylpropylcarbamoyl]-3-methylcarbamoylcyclopropyl}phenyl) ester × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；Ligand in lyophilized powder form was dissolved in a 11.2 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 2:1. 4 uL of this solution was mixed with 3 uL of 0.2 M ammonium acetate, 0.1 M sodium acetate, 30% v/v PEG MW4000, pH 4.6 to create the hanging drop, which yielded crystals of the protein-ligand complex in the presence of the above-mentioned solution after four weeks at room temperature., VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.02 Å R-free 0.229
3IN7 Crystal Structure of the Grb2 SH2 Domain in Complex with a Cyclopropyl-constrained Ac-pY-Q-N-NH2 Tripeptide Mimic 提交 2009-08-11	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 53–163（111 aa）片段：SH2 domain	未记录	AYQ N~2~-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-D-glutaminyl-D-aspartamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；Ligand in lyophilized powder form was dissolved in a 7.6 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1.7:1. 3.5 uL of this solution was mixed with 3.5 uL of 0.1 M HEPES, 20% w/v PEG MW10,000, pH 7.5 to create the hanging drop, which yielded crystals of the protein-ligand complex in the presence of the above-mentioned solution after two weeks at room temperature., VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.00 Å R-free 0.250
3IN7 Crystal Structure of the Grb2 SH2 Domain in Complex with a Cyclopropyl-constrained Ac-pY-Q-N-NH2 Tripeptide Mimic 提交 2009-08-11	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 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 53–163（111 aa）片段：SH2 domain	未记录	AYQ N~2~-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-D-glutaminyl-D-aspartamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；Ligand in lyophilized powder form was dissolved in a 7.6 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1.7:1. 3.5 uL of this solution was mixed with 3.5 uL of 0.1 M HEPES, 20% w/v PEG MW10,000, pH 7.5 to create the hanging drop, which yielded crystals of the protein-ligand complex in the presence of the above-mentioned solution after two weeks at room temperature., VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.00 Å R-free 0.250
3IN7 Crystal Structure of the Grb2 SH2 Domain in Complex with a Cyclopropyl-constrained Ac-pY-Q-N-NH2 Tripeptide Mimic 提交 2009-08-11	构建体不同突变/修饰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 3 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 53–163（111 aa）片段：SH2 domain 链 C 53–163（111 aa）片段：SH2 domain	未记录	AYQ N~2~-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-D-glutaminyl-D-aspartamide × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；Ligand in lyophilized powder form was dissolved in a 7.6 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1.7:1. 3.5 uL of this solution was mixed with 3.5 uL of 0.1 M HEPES, 20% w/v PEG MW10,000, pH 7.5 to create the hanging drop, which yielded crystals of the protein-ligand complex in the presence of the above-mentioned solution after two weeks at room temperature., VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.00 Å R-free 0.250
3IN8 Crystal Structure of the Grb2 SH2 Domain in Complex with a Flexible Ac-pTyr-Ile-Asn-NH2 Tripeptide Mimic 提交 2009-08-11	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 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 53–163（111 aa）片段：SH2 domain	未记录	FYI N-{(2S)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-isoleucyl-L-aspartamide × 2 FMT FORMIC ACID × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；Ligand in lyophilized powder form was dissolved in a 15.0 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1:1. 3.5 uL of this solution was mixed with 3.5 uL of 5.0 M sodium formate, pH 7.5 to create the hanging drop, which yielded crystals of the protein-ligand complex in the presence of the above-mentioned solution after six weeks at room temperature., VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.70 Å R-free 0.211
3KFJ Crystal Structure of the Grb2 SH2 Domain in Complex with a Flexible Ac-pY-E-N-NH2 Tripeptide Mimic 提交 2009-10-27	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 53–163（111 aa）片段：SH2 domain, residues 53-163	未记录	YEN N-{(2S)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-alpha-glutamyl-L-aspartamide × 1 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；Ligand in lyophilized powder form was dissolved in a 9.5 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 2:1. 4uL of this solution was mixed with 3uL of 0.1 M MgCl2 x 6H2O, 30% w/v PEG MW4000, 0.1 M TRIS, pH 8.5 to create the hanging drop, which yielded crystals of the protein-ligand complex in the presence of the above-mentioned solution after four weeks at room temperature., VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.02 Å R-free 0.230
3KFJ Crystal Structure of the Grb2 SH2 Domain in Complex with a Flexible Ac-pY-E-N-NH2 Tripeptide Mimic 提交 2009-10-27	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 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 53–163（111 aa）片段：SH2 domain, residues 53-163	未记录	YEN N-{(2S)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-alpha-glutamyl-L-aspartamide × 2 CL CHLORIDE ION × 4 MG MAGNESIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；Ligand in lyophilized powder form was dissolved in a 9.5 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 2:1. 4uL of this solution was mixed with 3uL of 0.1 M MgCl2 x 6H2O, 30% w/v PEG MW4000, 0.1 M TRIS, pH 8.5 to create the hanging drop, which yielded crystals of the protein-ligand complex in the presence of the above-mentioned solution after four weeks at room temperature., VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.02 Å R-free 0.230
3MXC Structures of Grb2-SH2 Domain and AICD peptide Complexes Reveal a Conformational Switch and Their Functional Implications. 提交 2010-05-07	构建体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 A 55–152（98 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 293 K；0.1 M Tris ,0.1M Bicine, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.00 Å R-free 0.244
3MXY Structures of Grb2-SH2 Domain and AICD peptide Complexes Reveal a Conformational Switch and Their Functional Implications. 提交 2010-05-08	构建体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 A 55–152（98 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M Tris ,0.1M Bicine, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.30 Å R-free 0.252
3N7Y Crystal Structure of the Grb2 SH2 Domain in Complex with a 20-Membered Macrocyclic Ligand Having the Sequence pYVNV 提交 2010-05-27	构建体不同聚集状态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 × 4 PDB 声明：tetrameric	链 A 55–152（98 aa）片段：SH2 domain	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；Ligand in lyohpilized power form was dissolved in a 10.0 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1:2. 3.5 uL of this solution was mixed with 3.5 uL of 20% v/v isopropanol, 20% w/v polyethylene glycol MW 4,000, 0.1 M sodium citrate dihydrate, pH 5.6 to create the hanging drop, which yielded crystals of the protein-ligand complex after two weeks, VAPOR DIFFUSION, HANGING DROP, temperature 298KK	分辨率 2.02 Å R-free 0.222
3N7Y Crystal Structure of the Grb2 SH2 Domain in Complex with a 20-Membered Macrocyclic Ligand Having the Sequence pYVNV 提交 2010-05-27	构建体不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 55–152（98 aa）片段：SH2 domain	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；Ligand in lyohpilized power form was dissolved in a 10.0 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1:2. 3.5 uL of this solution was mixed with 3.5 uL of 20% v/v isopropanol, 20% w/v polyethylene glycol MW 4,000, 0.1 M sodium citrate dihydrate, pH 5.6 to create the hanging drop, which yielded crystals of the protein-ligand complex after two weeks, VAPOR DIFFUSION, HANGING DROP, temperature 298KK	分辨率 2.02 Å R-free 0.222
3N7Y Crystal Structure of the Grb2 SH2 Domain in Complex with a 20-Membered Macrocyclic Ligand Having the Sequence pYVNV 提交 2010-05-27	构建体不同突变/修饰不同聚集状态不同实验环境不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 B 55–152（98 aa）片段：SH2 domain 链 C 55–152（98 aa）片段：SH2 domain	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；Ligand in lyohpilized power form was dissolved in a 10.0 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1:2. 3.5 uL of this solution was mixed with 3.5 uL of 20% v/v isopropanol, 20% w/v polyethylene glycol MW 4,000, 0.1 M sodium citrate dihydrate, pH 5.6 to create the hanging drop, which yielded crystals of the protein-ligand complex after two weeks, VAPOR DIFFUSION, HANGING DROP, temperature 298KK	分辨率 2.02 Å R-free 0.222
3N7Y Crystal Structure of the Grb2 SH2 Domain in Complex with a 20-Membered Macrocyclic Ligand Having the Sequence pYVNV 提交 2010-05-27	构建体不同实验环境不同结构质量不同	Assembly 4 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 55–152（98 aa）片段：SH2 domain	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；Ligand in lyohpilized power form was dissolved in a 10.0 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1:2. 3.5 uL of this solution was mixed with 3.5 uL of 20% v/v isopropanol, 20% w/v polyethylene glycol MW 4,000, 0.1 M sodium citrate dihydrate, pH 5.6 to create the hanging drop, which yielded crystals of the protein-ligand complex after two weeks, VAPOR DIFFUSION, HANGING DROP, temperature 298KK	分辨率 2.02 Å R-free 0.222
3N7Y Crystal Structure of the Grb2 SH2 Domain in Complex with a 20-Membered Macrocyclic Ligand Having the Sequence pYVNV 提交 2010-05-27	构建体不同实验环境不同结构质量不同	Assembly 5 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 C 55–152（98 aa）片段：SH2 domain	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；Ligand in lyohpilized power form was dissolved in a 10.0 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1:2. 3.5 uL of this solution was mixed with 3.5 uL of 20% v/v isopropanol, 20% w/v polyethylene glycol MW 4,000, 0.1 M sodium citrate dihydrate, pH 5.6 to create the hanging drop, which yielded crystals of the protein-ligand complex after two weeks, VAPOR DIFFUSION, HANGING DROP, temperature 298KK	分辨率 2.02 Å R-free 0.222
3N84 Crystal Structure of the Grb2 SH2 Domain in Complex with a 23-Membered Macrocyclic Ligand Having the Sequence pYVNVP 提交 2010-05-27	构建体不同突变/修饰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 × 4 PDB 声明：tetrameric	链 A 52–162（111 aa）片段：SH2 domain 链 E 52–162（111 aa）片段：SH2 domain	未记录	CL CHLORIDE ION × 2 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；Ligand in lyoophilized powder form was dissolved in a 8.0 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1:1.7. 4 uL of this solution was mixed with 3 uL of 30% w/v polyethylene glycol MW 4000, 0.2 M magnesium chloride hexahydrate, 0.1 M TRIS, pH 8.5 to create the hanging drop, which yielded usable crystals after 8 weeks., VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.00 Å R-free 0.223
3N84 Crystal Structure of the Grb2 SH2 Domain in Complex with a 23-Membered Macrocyclic Ligand Having the Sequence pYVNVP 提交 2010-05-27	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 52–162（111 aa）片段：SH2 domain	未记录	CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；Ligand in lyoophilized powder form was dissolved in a 8.0 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1:1.7. 4 uL of this solution was mixed with 3 uL of 30% w/v polyethylene glycol MW 4000, 0.2 M magnesium chloride hexahydrate, 0.1 M TRIS, pH 8.5 to create the hanging drop, which yielded usable crystals after 8 weeks., VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.00 Å R-free 0.223
3N84 Crystal Structure of the Grb2 SH2 Domain in Complex with a 23-Membered Macrocyclic Ligand Having the Sequence pYVNVP 提交 2010-05-27	构建体不同突变/修饰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 3 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 B 52–162（111 aa）片段：SH2 domain 链 D 52–162（111 aa）片段：SH2 domain	未记录	GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；Ligand in lyoophilized powder form was dissolved in a 8.0 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1:1.7. 4 uL of this solution was mixed with 3 uL of 30% w/v polyethylene glycol MW 4000, 0.2 M magnesium chloride hexahydrate, 0.1 M TRIS, pH 8.5 to create the hanging drop, which yielded usable crystals after 8 weeks., VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.00 Å R-free 0.223
3N84 Crystal Structure of the Grb2 SH2 Domain in Complex with a 23-Membered Macrocyclic Ligand Having the Sequence pYVNVP 提交 2010-05-27	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 4 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 52–162（111 aa）片段：SH2 domain	未记录	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；Ligand in lyoophilized powder form was dissolved in a 8.0 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1:1.7. 4 uL of this solution was mixed with 3 uL of 30% w/v polyethylene glycol MW 4000, 0.2 M magnesium chloride hexahydrate, 0.1 M TRIS, pH 8.5 to create the hanging drop, which yielded usable crystals after 8 weeks., VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.00 Å R-free 0.223
3N84 Crystal Structure of the Grb2 SH2 Domain in Complex with a 23-Membered Macrocyclic Ligand Having the Sequence pYVNVP 提交 2010-05-27	构建体不同突变/修饰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 5 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 C 52–162（111 aa）片段：SH2 domain 链 F 52–162（111 aa）片段：SH2 domain	未记录	GOL GLYCEROL × 3 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；Ligand in lyoophilized powder form was dissolved in a 8.0 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1:1.7. 4 uL of this solution was mixed with 3 uL of 30% w/v polyethylene glycol MW 4000, 0.2 M magnesium chloride hexahydrate, 0.1 M TRIS, pH 8.5 to create the hanging drop, which yielded usable crystals after 8 weeks., VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.00 Å R-free 0.223
3N84 Crystal Structure of the Grb2 SH2 Domain in Complex with a 23-Membered Macrocyclic Ligand Having the Sequence pYVNVP 提交 2010-05-27	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 6 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 C 52–162（111 aa）片段：SH2 domain	未记录	MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；Ligand in lyoophilized powder form was dissolved in a 8.0 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1:1.7. 4 uL of this solution was mixed with 3 uL of 30% w/v polyethylene glycol MW 4000, 0.2 M magnesium chloride hexahydrate, 0.1 M TRIS, pH 8.5 to create the hanging drop, which yielded usable crystals after 8 weeks., VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.00 Å R-free 0.223
3N84 Crystal Structure of the Grb2 SH2 Domain in Complex with a 23-Membered Macrocyclic Ligand Having the Sequence pYVNVP 提交 2010-05-27	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 7 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 D 52–162（111 aa）片段：SH2 domain	未记录	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；Ligand in lyoophilized powder form was dissolved in a 8.0 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1:1.7. 4 uL of this solution was mixed with 3 uL of 30% w/v polyethylene glycol MW 4000, 0.2 M magnesium chloride hexahydrate, 0.1 M TRIS, pH 8.5 to create the hanging drop, which yielded usable crystals after 8 weeks., VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.00 Å R-free 0.223
3N84 Crystal Structure of the Grb2 SH2 Domain in Complex with a 23-Membered Macrocyclic Ligand Having the Sequence pYVNVP 提交 2010-05-27	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 8 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 E 52–162（111 aa）片段：SH2 domain	未记录	GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；Ligand in lyoophilized powder form was dissolved in a 8.0 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1:1.7. 4 uL of this solution was mixed with 3 uL of 30% w/v polyethylene glycol MW 4000, 0.2 M magnesium chloride hexahydrate, 0.1 M TRIS, pH 8.5 to create the hanging drop, which yielded usable crystals after 8 weeks., VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.00 Å R-free 0.223
3N84 Crystal Structure of the Grb2 SH2 Domain in Complex with a 23-Membered Macrocyclic Ligand Having the Sequence pYVNVP 提交 2010-05-27	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 9 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 F 52–162（111 aa）片段：SH2 domain	未记录	GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；Ligand in lyoophilized powder form was dissolved in a 8.0 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1:1.7. 4 uL of this solution was mixed with 3 uL of 30% w/v polyethylene glycol MW 4000, 0.2 M magnesium chloride hexahydrate, 0.1 M TRIS, pH 8.5 to create the hanging drop, which yielded usable crystals after 8 weeks., VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.00 Å R-free 0.223
3N8M Crystal Structure of the Grb2 SH2 Domain in Complex with An Acyclic Ligand Having the Sequence pYVNVP 提交 2010-05-28	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 53–163（111 aa）片段：Grb2 SH2 domain, residues 55-153	未记录	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；Ligand in lyophilized powder form was dissolved in a 7.2 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1:1.7. 4 uL of this solution was mixed with 3 uL of 12% v/v glycerol, 1.5 M ammonium sulfate, 0.1 M TRIS, pH 8.5 to create the hanging drop, which yielded crystals of the protein-ligand complex after 8 weeks, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.00 Å R-free 0.224
3N8M Crystal Structure of the Grb2 SH2 Domain in Complex with An Acyclic Ligand Having the Sequence pYVNVP 提交 2010-05-28	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 2 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 A 53–163（111 aa）片段：Grb2 SH2 domain, residues 55-153	未记录	GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；Ligand in lyophilized powder form was dissolved in a 7.2 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1:1.7. 4 uL of this solution was mixed with 3 uL of 12% v/v glycerol, 1.5 M ammonium sulfate, 0.1 M TRIS, pH 8.5 to create the hanging drop, which yielded crystals of the protein-ligand complex after 8 weeks, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.00 Å R-free 0.224
3OV1 Crystal Structure of the Grb2 SH2 Domain in Complex with a pYXN-Derived Tripeptide 提交 2010-09-15	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 53–163（111 aa）片段：unp residues 53-163	未记录	GOL GLYCEROL × 2 FMT FORMIC ACID × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1 M HEPES, 20% w/v Polyethylene Glycol 10,000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.60 Å R-free 0.214
3OV1 Crystal Structure of the Grb2 SH2 Domain in Complex with a pYXN-Derived Tripeptide 提交 2010-09-15	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 2 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 A 53–163（111 aa）片段：unp residues 53-163	未记录	GOL GLYCEROL × 4 FMT FORMIC ACID × 2 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1 M HEPES, 20% w/v Polyethylene Glycol 10,000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.60 Å R-free 0.214
3OVE Crystal Structure of the Grb2 SH2 Domain in Complex with a pYXN-Derived Tripeptide 提交 2010-09-16	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 53–163（111 aa）片段：unp residues 53-163	未记录	CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；0.2 M magnesium chloride hexahydrate, 0.1 M TRIS,30% w/v polyethylene glycol 4,000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.82 Å R-free 0.260
3OVE Crystal Structure of the Grb2 SH2 Domain in Complex with a pYXN-Derived Tripeptide 提交 2010-09-16	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 2 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 A 53–163（111 aa）片段：unp residues 53-163	未记录	CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；0.2 M magnesium chloride hexahydrate, 0.1 M TRIS,30% w/v polyethylene glycol 4,000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.82 Å R-free 0.260
3S8L Protein-Ligand Interactions: Thermodynamic Effects Associated with Increasing Hydrophobic Surface Area 提交 2011-05-29	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 53–163（111 aa）片段：unp residues 53-163	未记录	CL CHLORIDE ION × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1 M HEPES, 3.5 M sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.71 Å R-free 0.256
3S8N Crystal Structure of the Grb2 SH2 Domain in Complex with a pYXN-Derived Tripeptide 提交 2011-05-29	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 53–163（111 aa）片段：unp residues 53-163	未记录	GOL GLYCEROL × 3 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1 M HEPES, 4.3 M sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.71 Å R-free 0.244
3S8N Crystal Structure of the Grb2 SH2 Domain in Complex with a pYXN-Derived Tripeptide 提交 2011-05-29	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 2 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 A 53–163（111 aa）片段：unp residues 53-163	未记录	GOL GLYCEROL × 6 CL CHLORIDE ION × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1 M HEPES, 4.3 M sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.71 Å R-free 0.244
3S8O Crystal Structure of the Grb2 SH2 Domain in Complex with a pYXN-Derived Tripeptide 提交 2011-05-29	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 53–163（111 aa）片段：unp residues 53-163	未记录	NA SODIUM ION × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1 M HEPES, 5.0 M sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.85 Å R-free 0.201
3WA4 Grb2 SH2 domain/CD28-derived peptide complex 提交 2013-04-23	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 60–152（93 aa）片段：SH2 domain, UNP resideus 57-152	未记录	CD CADMIUM ION × 1 ACY ACETIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1M HEPES, 1.25M sodium acetate, 0.1M cadmium sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 1.35 Å R-free 0.209
3WA4 Grb2 SH2 domain/CD28-derived peptide complex 提交 2013-04-23	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 60–152（93 aa）片段：SH2 domain, UNP resideus 57-152	未记录	CD CADMIUM ION × 1 ACY ACETIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1M HEPES, 1.25M sodium acetate, 0.1M cadmium sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 1.35 Å R-free 0.209
4P9V Grb2 SH2 complexed with a pTyr-Ac6cN-Asn tripeptide 提交 2014-04-06	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 53–163（111 aa）片段：UNP residues 53-163	未记录	CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；296 K；0.2 M magnesium chloride hexahydrate, 0.1 M TRIS hydrochloride, 30% w/v polyethylene glycol 4000	分辨率 1.64 Å R-free 0.257
4P9Z Grb2 SH2 complexed with a pTyr-Ac6c-Asn tripeptide 提交 2014-04-06	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 53–163（111 aa）	未记录	GOL GLYCEROL × 1 ACT ACETATE ION × 2 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；296 K；0.2 M sodium acetate trihydrate, 0.1 M TRIS hydrochloride, 30% w/v polyethylene glycol 4000	分辨率 1.80 Å R-free 0.239
4P9Z Grb2 SH2 complexed with a pTyr-Ac6c-Asn tripeptide 提交 2014-04-06	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 2 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 A 53–163（111 aa）	未记录	GOL GLYCEROL × 2 ACT ACETATE ION × 4 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；296 K；0.2 M sodium acetate trihydrate, 0.1 M TRIS hydrochloride, 30% w/v polyethylene glycol 4000	分辨率 1.80 Å R-free 0.239
5CDW Crystal Structure Analysis of a mutant Grb2 SH2 domain (W121G) with a pYVNV peptide 提交 2015-07-05	构建体不同突变/修饰不同聚集状态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 × 4 PDB 声明：tetrameric	链 A 54–153（100 aa）链 E 54–153（100 aa）	突变：W121G 突变：W121G	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.335M Potassium thiocyanate, 31% (w/v) PEG 8000	分辨率 2.60 Å R-free 0.294
5CDW Crystal Structure Analysis of a mutant Grb2 SH2 domain (W121G) with a pYVNV peptide 提交 2015-07-05	构建体不同突变/修饰不同聚集状态不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 B 54–153（100 aa）链 C 54–153（100 aa）	突变：W121G 突变：W121G	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.335M Potassium thiocyanate, 31% (w/v) PEG 8000	分辨率 2.60 Å R-free 0.294
5CDW Crystal Structure Analysis of a mutant Grb2 SH2 domain (W121G) with a pYVNV peptide 提交 2015-07-05	构建体不同突变/修饰不同聚集状态不同实验环境不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 G 54–153（100 aa）链 H 54–153（100 aa）	突变：W121G 突变：W121G	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.335M Potassium thiocyanate, 31% (w/v) PEG 8000	分辨率 2.60 Å R-free 0.294
5CDW Crystal Structure Analysis of a mutant Grb2 SH2 domain (W121G) with a pYVNV peptide 提交 2015-07-05	构建体不同突变/修饰不同聚集状态不同实验环境不同结构质量不同	Assembly 4 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 K 54–153（100 aa）链 L 54–153（100 aa）	突变：W121G 突变：W121G	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.335M Potassium thiocyanate, 31% (w/v) PEG 8000	分辨率 2.60 Å R-free 0.294
5CDW Crystal Structure Analysis of a mutant Grb2 SH2 domain (W121G) with a pYVNV peptide 提交 2015-07-05	构建体不同突变/修饰不同聚集状态不同实验环境不同结构质量不同	Assembly 5 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 O 54–153（100 aa）链 P 54–153（100 aa）	突变：W121G 突变：W121G	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.335M Potassium thiocyanate, 31% (w/v) PEG 8000	分辨率 2.60 Å R-free 0.294
5CDW Crystal Structure Analysis of a mutant Grb2 SH2 domain (W121G) with a pYVNV peptide 提交 2015-07-05	构建体不同突变/修饰不同聚集状态不同实验环境不同结构质量不同	Assembly 6 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 U 54–153（100 aa）链 V 54–153（100 aa）	突变：W121G 突变：W121G	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.335M Potassium thiocyanate, 31% (w/v) PEG 8000	分辨率 2.60 Å R-free 0.294
5CDW Crystal Structure Analysis of a mutant Grb2 SH2 domain (W121G) with a pYVNV peptide 提交 2015-07-05	构建体不同突变/修饰不同聚集状态不同实验环境不同结构质量不同	Assembly 7 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 Y 54–153（100 aa）链 Z 54–153（100 aa）	突变：W121G 突变：W121G	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.335M Potassium thiocyanate, 31% (w/v) PEG 8000	分辨率 2.60 Å R-free 0.294
5CDW Crystal Structure Analysis of a mutant Grb2 SH2 domain (W121G) with a pYVNV peptide 提交 2015-07-05	构建体不同突变/修饰不同聚集状态不同实验环境不同结构质量不同	Assembly 8 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 c 54–153（100 aa）链 d 54–153（100 aa）	突变：W121G 突变：W121G	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.335M Potassium thiocyanate, 31% (w/v) PEG 8000	分辨率 2.60 Å R-free 0.294
6ICG Grb2 SH2 domain in phosphopeptide free form 提交 2018-09-06	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 60–152（93 aa）	未记录	SO4 SULFATE ION × 2 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M Sodium chloride, 0.1 M HEPES (pH 7.5), 1.6 M Ammonium sulfate	分辨率 1.15 Å R-free 0.169
6ICG Grb2 SH2 domain in phosphopeptide free form 提交 2018-09-06	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 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 60–152（93 aa）	未记录	SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M Sodium chloride, 0.1 M HEPES (pH 7.5), 1.6 M Ammonium sulfate	分辨率 1.15 Å R-free 0.169
6ICH Grb2 SH2 domain in domain swapped dimer form 提交 2018-09-06	构建体不同聚集状态不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 60–152（93 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1 M MES monohydrate (pH 6.5), 12% PEG 20,000	分辨率 2.00 Å R-free 0.242
6SDF N-terminal SH3 domain of Grb2 protein 提交 2019-07-26	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–59（58 aa）	未记录	MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 5 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1 M Hepes, 55% (v/v) MPD	分辨率 2.50 Å R-free 0.210
6SDF N-terminal SH3 domain of Grb2 protein 提交 2019-07-26	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 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–59（58 aa）	未记录	MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1 M Hepes, 55% (v/v) MPD	分辨率 2.50 Å R-free 0.210
6VK2 NMR solution structure of Grb2-SH2 domain at pH 7 提交 2020-01-18	构建体不同聚集状态不同实验方法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 55–150（96 aa）	未记录	未记录非水小分子	SOLUTION NMR NMR测量条件 pH 7；298 K；离子强度（mmCIF原始值）138.2；压力 1 NMR样品组成 200 mM sodium chloride, 20 mM sodium phosphate, 1 mM EDTA, 1 mM PMSF, 5 mM sodium azide, 300 uM [U-100% 13C; U-100% 15N] Grb2-SH2, 90% H2O/10% D2O \| 90% H2O/10% D2O	分辨率未提供
6WO2 Crystal Structure of the Grb2 SH2 Domain in Complex with a Tripeptide: Ac-pY-Ac6c-N-isohexyl 提交 2020-04-24	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 A 53–163（111 aa）片段：SH2 Domain	未记录	CA CALCIUM ION × 1 IPA ISOPROPYL ALCOHOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；An aqueous solution containing a 1.5 molar ratio of ligand to protein, ca. 10 mg/mL, was prepared. 4.0 ul of this solution was mixed with 3.0 ul of a precipitant solution containing 0.2 M sodium citrate tribasic dihydrate, 0.1 M HEPES, and 20% v/v 2-propanol (Hampton crystal screen I, condition no. 27), and allowed to equilibrate with 350 ul of the aforementioned precipitant well solution. Usable crystals grew after 4 weeks	分辨率 2.00 Å R-free 0.275
6WO2 Crystal Structure of the Grb2 SH2 Domain in Complex with a Tripeptide: Ac-pY-Ac6c-N-isohexyl 提交 2020-04-24	配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 53–163（111 aa）片段：SH2 Domain	未记录	IPA ISOPROPYL ALCOHOL × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；An aqueous solution containing a 1.5 molar ratio of ligand to protein, ca. 10 mg/mL, was prepared. 4.0 ul of this solution was mixed with 3.0 ul of a precipitant solution containing 0.2 M sodium citrate tribasic dihydrate, 0.1 M HEPES, and 20% v/v 2-propanol (Hampton crystal screen I, condition no. 27), and allowed to equilibrate with 350 ul of the aforementioned precipitant well solution. Usable crystals grew after 4 weeks	分辨率 2.00 Å R-free 0.275
7MPH GRB2 SH2 Domain with Compound 7 提交 2021-05-04	构建体不同突变/修饰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 蛋白同源多聚体同源多聚体；蛋白 × 3 PDB 声明：trimeric	链 A 59–152（94 aa）链 E 59–152（94 aa）链 F 59–152（94 aa）	未记录	ZLY (4-{(10R,11E,14S,18S)-18-(2-amino-2-oxoethyl)-14-[(naphthalen-1-yl)methyl]-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl}phenyl)acetic acid × 3 EDO 1,2-ETHANEDIOL × 7 SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；12.4mg/mL GRB2 SH2 domain, 0.1mM Bis-Tris pH 5.5, 2M Ammonium Sulphate	分辨率 2.00 Å R-free 0.277
7MPH GRB2 SH2 Domain with Compound 7 提交 2021-05-04	构建体不同突变/修饰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 2 蛋白同源多聚体同源多聚体；蛋白 × 3 PDB 声明：trimeric	链 B 59–152（94 aa）链 C 59–152（94 aa）链 D 59–152（94 aa）	未记录	ZLY (4-{(10R,11E,14S,18S)-18-(2-amino-2-oxoethyl)-14-[(naphthalen-1-yl)methyl]-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl}phenyl)acetic acid × 3 EDO 1,2-ETHANEDIOL × 6 SO4 SULFATE ION × 8	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；12.4mg/mL GRB2 SH2 domain, 0.1mM Bis-Tris pH 5.5, 2M Ammonium Sulphate	分辨率 2.00 Å R-free 0.277
9I3P CryoEM structure of the Themis:Grb2 complex with bound ProMacrobody 256 提交 2025-01-23	构建体不同聚集状态不同实验方法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 × 3 PDB 声明：trimeric	链 A 1–217（217 aa）	未记录	未记录非水小分子	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 8；25 mM Tris pH8, 100 mM NaCl, 2 mM DTT with added 8 mM CHAPSO for cryogrid sample preparation cryo-EM玻璃化条件冷冻剂 ETHANE；Leica EM GP2, 5 s blotting time	分辨率 3.30 Å
9IAZ CryoEM structure of the Themis:Grb2 complex with bound ProMacrobody 256, local refinement 提交 2025-02-11	构建体不同聚集状态不同实验方法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 × 3 PDB 声明：trimeric	链 A 1–217（217 aa）	未记录	未记录非水小分子	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 8；25 mM Tris pH8, 100 mM NaCl, 2 mM DTT with added 8 mM CHAPSO for cryogrid sample preparation cryo-EM玻璃化条件冷冻剂 ETHANE；Leica EM GP2, 5 s blotting time	分辨率 3.20 Å
9UOU Crystal structure of the fusion protein of T-lineage protein Themis and adaptor protein Grb2 提交 2025-04-26	构建体不同突变/修饰不同聚集状态不同实验环境不同结构质量不同	Assembly 1 信息不足同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 158–214（57 aa）链 B 158–214（57 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；289.15 K；0.1 M Tris-HCl pH 8.5, 2% (v/v) Tacsimate pH 8.0, 16% (w/v) polyethylene glycol 3350	分辨率 3.06 Å R-free 0.302

共 50 个其他 PDB 条目、102 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	GRB2_HUMAN
Isoform	—
PDB实体	1
链与序列区间	作者链 A； PDB构建体 1–111； UniProt 53–163 作者链 C； PDB构建体 1–111； UniProt 53–163

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	6wm1
沉积日期 deposition_date	2020-04-20
结构标题 title	Crystal structure of the Grb2 SH2 domain in complex with a tripeptide: Ac-pY-Ac6c-N-phenylpropyl
关键词 keywords	Grb2 SH2 Ligand preorganization, PEPTIDE BINDING PROTEIN; PEPTIDE BINDING PROTEIN
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	18.25 Å
回转半径 Rg (电子) rg_electron	17.33 Å
零角强度 I(0) i0	20342000.00
分子量 molecular_weight	23156.0 kDa
排除体积 excluded_volume	22469 Å³
包络体积 envelope_volume	35329 Å³
水化壳体积 shell_volume	17113 Å³
包络直径 envelope_diameter	59.1 Å
壳层 Rg shell_rg	23.44 Å
包络 Rg envelope_rg	17.63 Å
形状 Rg shape_rg	17.29 Å
总 Rg total_rg	18.09 Å
总原子数 total_atoms	1758
残基数 n_residues	202
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	58.9 Å
Rg (实空间) rg_real	18.20 Å
Rg 误差 (实空间) rg_real_error	0.30 Å
I(0) (实空间) i0_real	2.0340e+07
I(0) 误差 (实空间) i0_real_error	2.5520e+05
Rg (倒空间) rg_reciprocal	18.21 Å
I(0) (倒空间) i0_reciprocal	20340000.0000
解质量估计 total_estimate	0.8923
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	21.5 Å
偏度 Skewness skewness	0.293
峰度 Kurtosis kurtosis	-0.332
角度范围 angular_range	— – 0.4350 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	3940000.0000
实空间数据点数 n_real_points	75
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.870; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.986

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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 (6)

实体 1 Entity 1 polymer

描述 description	Growth factor receptor-bound protein 2
分子量 formula_weight	13758.5 kDa
来源方法 src_method	man
拷贝数 entity_count	2

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	A,C
原子数 atom_count	1956

IEMKPHPWFFGKIPRAKAEEMLSKQRHDGAFLIRESESAPGDFSLSVKFGNDVQHFKVLRDGAGKYFLWVVKFNSLNELVDYHRSTSVSRNQQIFLRDIEQVPQQPTYVQAHHHHHH

来源 Source

来源生物 organism	Homo sapiens
通用名 common_name	Human
NCBI 分类编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Escherichia coli

实体 2 Entity 2 polymer

描述 description	ACE-PTR-02K-ASN-PRA
分子量 formula_weight	643.7 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	B,D

XYANX

实体 3 Entity 3 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	2

实体 4 Entity 4 non-polymer

描述 description	CALCIUM ION
分子量 formula_weight	40.1 kDa
来源方法 src_method	nat
拷贝数 entity_count	1

实体 5 Entity 5 non-polymer

描述 description	CHLORIDE ION
分子量 formula_weight	35.5 kDa
来源方法 src_method	nat
拷贝数 entity_count	1

实体 6 Entity 6 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	147

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8. 引用文献 (1)

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晶胞边长 a length_a	36.010 Å
晶胞边长 b length_b	62.977 Å
晶胞边长 c length_c	90.889 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	90.00 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	8

空间群 space_group	P 21 21 21
空间群编号 int_tables_number	19
晶系 crystal_system	—

分辨率 resolution	1.800 Å
最低分辨率 resolution_low	51.760 Å
R 因子 r_factor	0.1802
R_work r_work	0.1769
R_free r_free	0.2448

fit	/app/data/saxs_computation/wm/6wm1/6wm1.fit
pddf	/app/data/pr_computation/wm/6wm1/6wm1.pr.out
profile	/app/data/saxs_computation/wm/6wm1/6wm1.dat

Crystal structure of the Grb2 SH2 domain in complex with a tripeptide: Ac-pY-Ac6c-N-phenylpropyl

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

Growth factor receptor-bound protein 2

当前结构中的状态

数据库中的同蛋白其他状态

SAXS 散射曲线 SAXS Profile

P(r) 距离分布 P(r) Distribution

2. 结构基本信息 2. Structure Basics

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

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

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

晶胞参数 Unit Cell

对称性 Symmetry

精修参数 Refinement

衍射实验 Diffraction

6. 实体与聚合物信息 Entities & Polymers (6)

实体 1 Entity 1 polymer

聚合物 Polymer

来源 Source

实体 2 Entity 2 polymer

聚合物 Polymer

实体 3 Entity 3 non-polymer

实体 4 Entity 4 non-polymer

实体 5 Entity 5 non-polymer

实体 6 Entity 6 water

8. 引用文献 (1)

9. 文件与曲线 (10)

Files (7)

Curves (3)