3bz7

Crystal Structures of (S)-(-)-Blebbistatin Analogs bound to Dictyostelium discoideum myosin II

Method: X-RAY DIFFRACTION D_max: 92.9 Å Quality: GOOD

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

Myosin-2 heavy chain, non muscle

Dictyostelium discoideum

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 2–759	片段：motor domain, myosine head-like domain	MG MAGNESIUM ION × 2 VO4 VANADATE ION × 1 BL4 (3aS)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 7；278 K；mixing 5 ul of protein with an equal volume of well solution containing 100 mM MOPS, 250 mM MgCl2, 12% PEG 8000, 1 mM TCEP, and 2 mM Thymol, pH 7.0, vapor diffusion, hanging drop, temperature 278K	分辨率 2.00 Å R-free 0.223
2	蛋白同源多聚体同源多聚体蛋白 × 2 PDB 声明：dimeric（2）与蛋白拷贝数一致	链 A； UniProt 2–759	片段：motor domain, myosine head-like domain	MG MAGNESIUM ION × 4 VO4 VANADATE ION × 2 BL4 (3aS)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 2	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 7；278 K；mixing 5 ul of protein with an equal volume of well solution containing 100 mM MOPS, 250 mM MgCl2, 12% PEG 8000, 1 mM TCEP, and 2 mM Thymol, pH 7.0, vapor diffusion, hanging drop, temperature 278K	分辨率 2.00 Å R-free 0.223

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 3BZ7	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
1D0X DICTYOSTELIUM MYOSIN S1DC (MOTOR DOMAIN FRAGMENT) COMPLEXED WITH M-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE. 提交 1999-09-15	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 1–761（761 aa）片段：MYOSIN MOTOR DOMAIN	突变：Q760P, R761N	MG MAGNESIUM ION × 1 MNQ M-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 MICROBATCH；pH 7；277 K；8.3 % PEG 8000 125 MM NACL 3 MM DTT, pH 7.0, MICROBATCH, temperature 4.0K	分辨率 2.00 Å
1D0Y DICTYOSTELIUM MYOSIN S1DC (MOTOR DOMAIN FRAGMENT) COMPLEXED WITH O-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM FLUORIDE. 提交 1999-09-15	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 1–761（761 aa）片段：S1DC MOTOR DOMAIN	突变：Q760P, R761N	MG MAGNESIUM ION × 1 ONP O-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 MICROBATCH；pH 7；277 K；8.3 % PEG 8000 125 MM NACL 3 MM DTT, pH 7.0, MICROBATCH, temperature 4.0K	分辨率 2.00 Å
1D0Z DICTYOSTELIUM MYOSIN S1DC (MOTOR DOMAIN FRAGMENT) COMPLEXED WITH P-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE. 提交 1999-09-15	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 1–761（761 aa）片段：S1DC MOTOR DOMAIN	突变：Q760P, R761N	MG MAGNESIUM ION × 1 PNQ P-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 MICROBATCH；pH 7；277 K；8.3 % PEG 8000 125 mM NaCl 3 mM DTT, pH 7.0, microbatch, temperature 4.0K	分辨率 2.00 Å
1D1A DICTYOSTELIUM MYOSIN S1DC (MOTOR DOMAIN FRAGMENT) COMPLEXED WITH O,P-DINITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE. 提交 1999-09-15	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 1–761（761 aa）片段：S1DC MOTOR DOMAIN	突变：Q760P, R761N	MG MAGNESIUM ION × 1 DAE O,P-DINITROPHENYL AMINOETHYLDIPHOSPHATE-BERYLLIUM TRIFLUORIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 MICROBATCH；pH 7；277 K；8.3 % PEG 8000 125 MM NACL 3 MM DTT, pH 7.0, MICROBATCH, temperature 4.0K	分辨率 2.00 Å
1D1B DICTYOSTELIUM MYOSIN S1DC (MOTOR DOMAIN FRAGMENT) COMPLEXED WITH O,P-DINITROPHENYL AMINOPROPYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE. 提交 1999-09-15	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 1–761（761 aa）片段：S1DC MOTOR DOMAIN	突变：Q760P, R761N	MG MAGNESIUM ION × 1 DAQ O,P-DINITROPHENYL AMINOPROPYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 MICROBATCH；pH 7；277 K；8.3 % PEG 8000 125 mM NaCl 3 mM DTT, pH 7.0, microbatch, temperature 4.0K	分辨率 2.00 Å
1D1C DICTYOSTELIUM MYOSIN S1DC (MOTOR DOMAIN FRAGMENT) COMPLEXED WITH N-METHYL-O-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE. 提交 1999-09-15	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 1–761（761 aa）片段：S1DC MOTOR DOMAIN	突变：Q760P, R761N	MG MAGNESIUM ION × 1 NMQ N-METHYL O-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 MICROBATCH；pH 7；277 K；8.3 % PEG 8000 125 MM NACL 3 MM DTT, pH 7.0, MICROBATCH, temperature 4.0K	分辨率 2.30 Å
1FMV CRYSTAL STRUCTURE OF THE APO MOTOR DOMAIN OF DICTYOSTELLIUM MYOSIN II 提交 2000-08-18	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 1–759（759 aa）片段：MOTOR DOMAIN	未记录	CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 MICROBATCH；pH 7.5；277 K；8% Peg 8000, 50 mM Hepes, 1 mM DTT, pH 7.5, microbatch, temperature 4K	分辨率 2.10 Å R-free 0.280
1FMW CRYSTAL STRUCTURE OF THE MGATP COMPLEX FOR THE MOTOR DOMAIN OF DICTYOSTELIUM MYOSIN II 提交 2000-08-18	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 1–759（759 aa）片段：MOTOR DOMAIN	未记录	MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；277 K；8% Peg 8000, 50 mM Hepes, 1 mM DTT, pH 7.5, microbatch, temperature 277K	分辨率 2.15 Å R-free 0.286
1G8X STRUCTURE OF A GENETICALLY ENGINEERED MOLECULAR MOTOR 提交 2000-11-21	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 信息不足同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–761（761 aa）片段：MYOSIN II HEAVY CHAIN, MOTOR DOMAIN RESIDUES 1-761, AND ALPHA-ACTININ 3, REPEATS 1 AND 2 RESIDUES 765-1002 链 B 1–761（761 aa）片段：MYOSIN II HEAVY CHAIN, MOTOR DOMAIN RESIDUES 1-761, AND ALPHA-ACTININ 3, REPEATS 1 AND 2 RESIDUES 765-1002	突变：ARG238GLU 突变：ARG238GLU	MG MAGNESIUM ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.2；280 K；12% PEGM 5000; 170 mM NaCl; 50 mM HEPES (NaOH) pH 7.2; 5 mM MgCl2; 5 mM DTT; 0.5 mM EGTA; and 2% 2-methyl-1,3-propanediol, at 280 K, VAPOR DIFFUSION, SITTING DROP	分辨率 2.80 Å R-free 0.290
1JWY CRYSTAL STRUCTURE OF THE DYNAMIN A GTPASE DOMAIN COMPLEXED WITH GDP, DETERMINED AS MYOSIN FUSION 提交 2001-09-05	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 信息不足单体；蛋白 × 1 PDB 声明：monomeric	链 A 3–765（763 aa）片段：catalytic domain	未记录	BGC beta-D-glucopyranose × 1 MG MAGNESIUM ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；PEG 8000, Tris, potassium chloride, magnesium chloride, glucose, methyl-propane-diol, dithiothreitol, EGTA, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.30 Å R-free 0.257
1JX2 CRYSTAL STRUCTURE OF THE NUCLEOTIDE-FREE DYNAMIN A GTPASE DOMAIN, DETERMINED AS MYOSIN FUSION 提交 2001-09-05	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 信息不足单体；蛋白 × 1 PDB 声明：monomeric	链 A 3–765（763 aa）片段：catalytic domain	未记录	BGC beta-D-glucopyranose × 1 MG MAGNESIUM ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；PEG 8000, Tris, potassium chloride, magnesium chloride, glucose, methyl-propane-diol, dithiothreitol, EGTA, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.30 Å R-free 0.255
1LVK X-RAY CRYSTAL STRUCTURE OF THE MG (DOT) 2'(3')-O-(N-METHYLANTHRANILOYL) NUCLEOTIDE BOUND TO DICTYOSTELIUM DISCOIDEUM MYOSIN MOTOR DOMAIN 提交 1997-09-05	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 1–759（759 aa）片段：MOTOR DOMAIN	突变：Q760L, R761P, I762N	MG MAGNESIUM ION × 1 MNT 2'(3')-O-N-METHYLANTHRANILOYL-ADENOSINE-5'-DIPHOSPHATE × 1 BEF BERYLLIUM TRIFLUORIDE ION × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 1.90 Å
1MMA X-RAY STRUCTURES OF THE MGADP, MGATPGAMMAS, AND MGAMPPNP COMPLEXES OF THE DICTYOSTELIUM DISCOIDEUM MYOSIN MOTOR DOMAIN 提交 1997-07-18	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 1–759（759 aa）片段：MOTOR DOMAIN	突变：Q760L, R761P, I762N	MG MAGNESIUM ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7；pH 7.0	分辨率 2.10 Å
1MMD TRUNCATED HEAD OF MYOSIN FROM DICTYOSTELIUM DISCOIDEUM COMPLEXED WITH MGADP-BEF3 提交 1995-03-21	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 1–759（759 aa）片段：MOTOR DOMAIN	突变：Q760L, R761P, I762N	MG MAGNESIUM ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 BEF BERYLLIUM TRIFLUORIDE ION × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.00 Å
1MMG X-RAY STRUCTURES OF THE MGADP, MGATPGAMMAS, AND MGAMPPNP COMPLEXES OF THE DICTYOSTELIUM DISCOIDEUM MYOSIN MOTOR DOMAIN 提交 1997-07-18	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 1–759（759 aa）片段：MOTOR DOMAIN	突变：Q760L, R761P, I762N	MG MAGNESIUM ION × 1 AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7；pH 7.0	分辨率 2.10 Å
1MMN X-RAY STRUCTURES OF THE MGADP, MGATPGAMMAS, AND MGAMPPNP COMPLEXES OF THE DICTYOSTELIUM DISCOIDEUM MYOSIN MOTOR DOMAIN 提交 1997-07-18	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 1–759（759 aa）片段：MOTOR DOMAIN	突变：Q760L, R761P, I762N	MG MAGNESIUM ION × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7；pH 7.0	分辨率 2.10 Å
1MND TRUNCATED HEAD OF MYOSIN FROM DICTYOSTELIUM DISCOIDEUM COMPLEXED WITH MGADP-ALF4 提交 1995-04-15	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 1–759（759 aa）片段：MOTOR DOMAIN	突变：Q760L, R761P, I762N	MG MAGNESIUM ION × 1 ALF TETRAFLUOROALUMINATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.60 Å
1MNE TRUNCATED HEAD OF MYOSIN FROM DICTYOSTELIUM DISCOIDEUM COMPLEXED WITH MG-PYROPHOSPHATE 提交 1995-04-20	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 1–759（759 aa）片段：MOTOR DOMAIN	突变：Q760L, R761P, I762N	MG MAGNESIUM ION × 1 POP PYROPHOSPHATE 2- × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.70 Å
1VOM COMPLEX BETWEEN DICTYOSTELIUM MYOSIN AND MGADP AND VANADATE AT 1.9A RESOLUTION 提交 1995-11-09	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 1–759（759 aa）片段：TRUNCATED AT RESIDUE 762	未记录	MG MAGNESIUM ION × 1 VO4 VANADATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 1.90 Å
1W9I Myosin II Dictyostelium discoideum motor domain S456Y bound with MgADP-BeFx 提交 2004-10-13	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 1–759（759 aa）片段：MOTOR DOMAIN, RESIDUES 1-754	突变：YES	MG MAGNESIUM ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 BEF BERYLLIUM TRIFLUORIDE ION × 1 EDO 1,2-ETHANEDIOL × 15	X-RAY DIFFRACTION X-ray结晶条件 pH 7；10% PEG 8000, 50 MM HEPES PH 7.0, 100 MM NACL, 2 MM DTT, 2 MM NAN3 IN THE RESERVOIR AND 7% PEG 8000, 50 MM HEPES PH 7.0, 100 MM NACL, 2 MM DTT, 2 MM NAN3 IN THE DROP	分辨率 1.75 Å R-free 0.207
1W9J Myosin II Dictyostelium discoideum motor domain S456Y bound with MgADP-AlF4 提交 2004-10-13	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 1–758（758 aa）片段：MOTOR DOMAIN, RESIDUES 1-755	突变：YES	MG MAGNESIUM ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 ALF TETRAFLUOROALUMINATE ION × 1 EDO 1,2-ETHANEDIOL × 5	X-RAY DIFFRACTION X-ray结晶条件 pH 7；12% PEG 8000, 50 MM HEPES PH 7, 100 MM NACL, 2 MM DTT, 2 MM NAN3	分辨率 2.00 Å R-free 0.225
1W9K Dictyostelium discoideum Myosin II motor domain S456E with bound MgADP-BeFx 提交 2004-10-13	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 1–759（759 aa）片段：MOTOR DOMAIN, RESIDUES 1-759	突变：YES	MG MAGNESIUM ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 BEF BERYLLIUM TRIFLUORIDE ION × 1 EDO 1,2-ETHANEDIOL × 7	X-RAY DIFFRACTION X-ray结晶条件 pH 7；10% PEG 8000, 50 MM HEPES PH 7, 100 MM NACL, 2 MM DTT, 2 MM NAN3 BY MICROSEEDING	分辨率 2.05 Å R-free 0.232
1W9L Myosin II Dictyostelium discoideum motor domain S456E bound with MgADP-AlF4 提交 2004-10-13	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 1–759（759 aa）片段：MOTOR DOMAIN, RESIDUES 1-759	突变：YES	MG MAGNESIUM ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 ALF TETRAFLUOROALUMINATE ION × 1 EDO 1,2-ETHANEDIOL × 6	X-RAY DIFFRACTION X-ray结晶条件 pH 7；12% PEG 8000, 50 MM HEPES PH 7, 100 MM NACL, 2 MM DTT, 2 MM NAN3	分辨率 1.95 Å R-free 0.225
1YV3 The structural basis of blebbistatin inhibition and specificity for myosin II 提交 2005-02-14	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 1–762（762 aa）	未记录	MG MAGNESIUM ION × 2 VO4 VANADATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 BIT (-)-1-PHENYL-1,2,3,4-TETRAHYDRO-4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-4-ONE × 1 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；278 K；100 mM MOPS (pH 7.0), 250 mM MgCl2, 11% PEG 8000, 1 mM TCEP, 2 mM Thymol, 1 mM MgCl2, 2 mM ADP, and 3 mM sodium vanadate, VAPOR DIFFUSION, HANGING DROP, temperature 278K	分辨率 2.00 Å R-free 0.215
2AKA Structure of the nucleotide-free myosin II motor domain from Dictyostelium discoideum fused to the GTPase domain of dynamin 1 from Rattus norvegicus 提交 2005-08-03	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 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 2–765（764 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 8；277 K；Tris, PEG 8000, MPD, DTT, magnesium chloride, pH 8.00, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.90 Å R-free 0.224
2JHR Crystal structure of myosin-2 motor domain in complex with ADP- metavanadate and pentabromopseudilin 提交 2008-03-25	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 2–761（760 aa）片段：MOTOR-DOMAIN, RESIDUES 2-761	未记录	AD9 ADP METAVANADATE × 1 MG MAGNESIUM ION × 1 PBQ PENTABROMOPSEUDILIN × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.4；50 MM HEPES PH 7.4, 140 MM NACL, 11% W/V PEG8000, 2% (V/V) MPD, 5 MM MGCL2, 5 MM DTT, 1 MM EGTA.	分辨率 2.80 Å R-free 0.265
2JJ9 Crystal structure of myosin-2 in complex with ADP-metavanadate 提交 2008-03-25	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 2–761（760 aa）片段：MOTOR-DOMAIN, RESIDUES 2-761	未记录	AD9 ADP METAVANADATE × 1 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.4；50 MM HEPES PH 7.4, 140 MM NACL, 11% W/V PEG8000, 2% (V/V) MPD, 5 MM MGCL2, 5 MM DTT, 1 MM EGTA	分辨率 2.30 Å R-free 0.275
2X9H CRYSTAL STRUCTURE OF MYOSIN-2 MOTOR DOMAIN IN COMPLEX WITH ADP- METAVANADATE AND PENTACHLOROCARBAZOLE 提交 2010-03-19	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 2–696（695 aa）片段：MYOSIN MOTOR DOMAIN, RESIDUES 2-696	未记录	AD9 ADP METAVANADATE × 1 MG MAGNESIUM ION × 1 KI9 2,3,4,6,8-PENTACHLORO-9H-CARBAZOL-1-OL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.4；50 MM TRIS-HCL PH 7.4, 140 MM NACL, 9% W/V PEG8000, 2% (V/V) MPD, 5 MM MGCL2, 5 MM DTT, 1 MM EGTA	分辨率 2.70 Å R-free 0.289
2XEL Molecular Mechanism of Pentachloropseudilin Mediated Inhibition of Myosin Motor Activity 提交 2010-05-16	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–761（760 aa）片段：MOTOR DOMAIN, RESUDES 2-761	未记录	AD9 ADP METAVANADATE × 1 MG MAGNESIUM ION × 1 IA2 2,4-DICHLORO-6-(3,4,5-TRICHLORO-1H-PYRROL-2YL)PHENOL × 1	X-RAY DIFFRACTION X-ray结晶条件 50 MM HEPES PH 7.4, 140 MM NACL, 11% W/V PEG8000, 2% (V/V) MPD, 5 MM MGCL2, 5 MM DTT, 1 MM EGTA.	分辨率 2.50 Å R-free 0.253
2XO8 Crystal Structure of Myosin-2 in Complex with Tribromodichloropseudilin 提交 2010-08-10	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 3–761（759 aa）片段：MOTOR DOMAIN, RESIDUES 3-761	未记录	H70 2,4-DICHLORO-6-(3,4,5-TRIBROMO-1H-PYRROL-2-YL)PHENOL × 1 AD9 ADP METAVANADATE × 1 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 6.8；50 MM HEPES(PH 6.8), 110 MM NACL, 11% PEG 5K-MME, 2% MPD, 5MM DTT, 1MM EGTA,5MM MGCL2	分辨率 2.40 Å R-free 0.254
2Y0R Structural basis for the allosteric interference of myosin function by mutants G680A and G680V of Dictyostelium myosin-2 提交 2010-12-07	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 X 2–759（758 aa）片段：MOTOR DOMAIN, RESIDUES 2-759	突变：YES	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 pH 6.5；100 MM MES (PH 6.5), 25% PEG 8000.	分辨率 2.85 Å R-free 0.301
2Y8I Structural basis for the allosteric interference of myosin function by mutants G680A and G680V of Dictyostelium myosin-2 提交 2011-02-07	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 X 2–759（758 aa）片段：MOTOR DOMAIN, RESIDUES 2-759	突变：YES	ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7；13% PEG 6000, 4% GLYCEROL., pH 7.0	分辨率 3.13 Å R-free 0.337
2Y9E Structural basis for the allosteric interference of myosin function by mutants G680A and G680V of Dictyostelium myosin-2 提交 2011-02-14	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 X 2–759（758 aa）片段：MOTOR DOMAIN, RESIDUES 2-759	突变：YES	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；100 MM HEPES (PH 7.5), 20% PEG10000	分辨率 3.40 Å R-free 0.372
3BZ8 Crystal Structures of (S)-(-)-Blebbistatin Analogs bound to Dictyostelium discoideum myosin II 提交 2008-01-17	构建体不同配体/离子不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–759（758 aa）片段：Motor domain, Myosine head-like domain	未记录	MG MAGNESIUM ION × 2 VO4 VANADATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 1 BL6 (3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；278 K；mixing 5 ul of protein with an equal volume of well solution containing 100 mM MOPS, 250 mM MgCl2, 12% PEG 8000, 1 mM TCEP, and 2 mM Thymol, pH 7.0, vapor diffusion, hanging drop, temperature 278K	分辨率 2.20 Å R-free 0.245
3BZ8 Crystal Structures of (S)-(-)-Blebbistatin Analogs bound to Dictyostelium discoideum myosin II 提交 2008-01-17	构建体不同配体/离子不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 2–759（758 aa）片段：Motor domain, Myosine head-like domain	未记录	MG MAGNESIUM ION × 4 VO4 VANADATE ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 2 EDO 1,2-ETHANEDIOL × 2 BL6 (3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；278 K；mixing 5 ul of protein with an equal volume of well solution containing 100 mM MOPS, 250 mM MgCl2, 12% PEG 8000, 1 mM TCEP, and 2 mM Thymol, pH 7.0, vapor diffusion, hanging drop, temperature 278K	分辨率 2.20 Å R-free 0.245
3BZ9 Crystal Structures of (S)-(-)-Blebbistatin Analogs bound to Dictyostelium discoideum myosin II 提交 2008-01-17	构建体不同配体/离子不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–759（758 aa）片段：Motor domain, Myosine head-like domain	未记录	MG MAGNESIUM ION × 2 VO4 VANADATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 BL7 (3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one × 1 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；278 K；mixing 5 ul of protein with an equal volume of well solution containing 100 mM MOPS, 250 mM MgCl2, 12% PEG 8000, 1 mM TCEP, and 2 mM Thymol, pH 7.0, vapor diffusion, hanging drop, temperature 278K	分辨率 2.10 Å R-free 0.238
3BZ9 Crystal Structures of (S)-(-)-Blebbistatin Analogs bound to Dictyostelium discoideum myosin II 提交 2008-01-17	构建体不同配体/离子不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 2–759（758 aa）片段：Motor domain, Myosine head-like domain	未记录	MG MAGNESIUM ION × 4 VO4 VANADATE ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 2 BL7 (3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one × 2 EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；278 K；mixing 5 ul of protein with an equal volume of well solution containing 100 mM MOPS, 250 mM MgCl2, 12% PEG 8000, 1 mM TCEP, and 2 mM Thymol, pH 7.0, vapor diffusion, hanging drop, temperature 278K	分辨率 2.10 Å R-free 0.238
3MJX Crystal structure of myosin-2 motor domain in complex with ADP-Metavanadate and blebbistatin 提交 2010-04-13	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 2–761（760 aa）	未记录	AD9 ADP METAVANADATE × 1 MG MAGNESIUM ION × 1 BIT (-)-1-PHENYL-1,2,3,4-TETRAHYDRO-4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-4-ONE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7.4；277 K；50 MM HEPES PH 7.4, 140 MM NACL, 11% W/V PEG8000, 2% (V/V) MPD, 5 MM MGCL2, 5 MM DTT, 1 MM EGTA, 4mM ADP, 4mM meta-vanadate, 0.2 mM blebbistatin., VAPOR DIFFUSION, temperature 277K	分辨率 2.20 Å R-free 0.226
3MKD Crystal structure of myosin-2 dictyostelium discoideum motor domain S456Y mutant in complex with adp-orthovanadate 提交 2010-04-14	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 2–693（692 aa）片段：Myosin-2 motor domain, UNP residues 2-693	突变：S456Y	MG MAGNESIUM ION × 1 VO4 VANADATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.4；278 K；50mM HEPES, 140mM sodium chloride, 11%(w/v) PEG 5000, 5mM magnesium chloride, 5mM DTT, 1mM EGTA, 2%(v/v) MPD, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 278K	分辨率 2.40 Å R-free 0.240
3MNQ Crystal structure of myosin-2 motor domain in complex with ADP-metavanadate and resveratrol 提交 2010-04-22	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 3–761（759 aa）片段：motor domain, residues 3-761	未记录	AD9 ADP METAVANADATE × 1 MG MAGNESIUM ION × 1 STL RESVERATROL × 1 EDO 1,2-ETHANEDIOL × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.6；277 K；50mM Tris 7.6, 9% PEG 5000 MME, 140mM NaCl, 2% MPD, 5mM MgCl2, 5mM DTT, 1mM EGTA, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.20 Å R-free 0.250
3MYH Insights into the Importance of Hydrogen Bonding in the Gamma-Phosphate Binding Pocket of Myosin: Structural and Functional Studies of Ser236 提交 2010-05-10	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 X 2–759（758 aa）	突变：S236A	MG MAGNESIUM ION × 1 VO4 VANADATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 BIT (-)-1-PHENYL-1,2,3,4-TETRAHYDRO-4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-4-ONE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；12% PEG8K, 250mM MgCl2, 100mM MOPS, 2mM ADP, 3mM sodium vanadate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.01 Å R-free 0.240
3MYK Insights into the Importance of Hydrogen Bonding in the Gamma-Phosphate Binding Pocket of Myosin: Structural and Functional Studies of Ser236 提交 2010-05-10	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 X 2–759（758 aa）	突变：S236A	BIT (-)-1-PHENYL-1,2,3,4-TETRAHYDRO-4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-4-ONE × 1 MG MAGNESIUM ION × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；12% PEG8K, 250mM MgCl2, 100mM MOPS, 2mM AMPPNP, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.84 Å R-free 0.230
3MYL Insights into the Importance of Hydrogen Bonding in the Gamma-Phosphate Binding Pocket of Myosin: Structural and Functional Studies of Ser236 提交 2010-05-10	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 X 2–759（758 aa）	突变：S236A	MG MAGNESIUM ION × 1 POP PYROPHOSPHATE 2- × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；12.5% MePEG5K, 117mM ammonium acetate, 100mM Hepps, 2mM MgCl2, 2mM sodium pyrophosphate , pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.00 Å R-free 0.244
4AE3 Crystal structure of ammosamide 272:myosin-2 motor domain complex 提交 2012-01-05	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 2–761（760 aa）片段：MOTOR DOMAIN, RESIDUES 2-761	未记录	AOV ADP ORTHOVANADATE × 1 MG MAGNESIUM ION × 1 27X AMMOSAMIDE 272 × 2 EDO 1,2-ETHANEDIOL × 4	X-RAY DIFFRACTION X-ray结晶条件 50 MM HEPES PH 7.6, 140 MM NACL, 11% W/V PEG5K-MME, 2% (V/V) MPD	分辨率 2.50 Å R-free 0.254
4PJK Dicty myosin II R238E.E459R mutant (with ADP.Pi) in the Pi release state 提交 2014-05-12	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 1–761（761 aa）	突变：R238E, E459R	MG MAGNESIUM ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 PO4 PHOSPHATE ION × 2 GOL GLYCEROL × 7	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；11,25% PEG8k, 100mM MOPS pH 7,5, 1mM TCEP, 250mM MgCl2, 50mM NaH2PO4	分辨率 2.15 Å R-free 0.213
6Z2S Crystal structure of adhibin analogue-bound myosin-2 提交 2020-05-18	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 2–761（760 aa）	未记录	MG MAGNESIUM ION × 1 Q5Q 3,6-dibromo-1-(hydroxymethyl)carbazole × 1 AD9 ADP METAVANADATE × 1 ACT ACETATE ION × 3 GOL GLYCEROL × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；277 K；0.2 M lithium acetate and 20 % PEG 3350	分辨率 3.20 Å R-free 0.262
6Z7T Nucleotide-free Myosin-II motor domain 提交 2020-06-01	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 2–761（760 aa）	未记录	MG MAGNESIUM ION × 2 EDO 1,2-ETHANEDIOL × 10 GOL GLYCEROL × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；100 mM HEPES, pH7.5, 10% PEG8000, 8% Ethylenglycol	分辨率 1.88 Å R-free 0.217
6Z7T Nucleotide-free Myosin-II motor domain 提交 2020-06-01	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–761（760 aa）	未记录	MG MAGNESIUM ION × 2 EDO 1,2-ETHANEDIOL × 10 GOL GLYCEROL × 5 PGE TRIETHYLENE GLYCOL × 1 PEG DI(HYDROXYETHYL)ETHER × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；100 mM HEPES, pH7.5, 10% PEG8000, 8% Ethylenglycol	分辨率 1.88 Å R-free 0.217
6Z7U Myosin-II motor domain complexed with blebbistatin in a new ADP-release conformation 提交 2020-06-01	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 2–761（760 aa）	未记录	EDO 1,2-ETHANEDIOL × 9 ADP ADENOSINE-5'-DIPHOSPHATE × 1 BIT (-)-1-PHENYL-1,2,3,4-TETRAHYDRO-4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-4-ONE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.1 M HEPES, pH7.5, 10% PEG8000, 8% ethylene glycol	分辨率 2.58 Å R-free 0.231
7B19 Mutant Myosin-II-GGG motor domain 提交 2020-11-24	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 2–646（645 aa）链 A 649–761（113 aa）	未记录	AD9 ADP METAVANADATE × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 6 GLC alpha-D-glucopyranose × 1 MLI MALONATE ION × 5 PEG DI(HYDROXYETHYL)ETHER × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.24 M sodium malonate, pH8.0, 27% PEG 3350	分辨率 2.55 Å R-free 0.252
7B1A Myosin-II-AA mutant motor domain 提交 2020-11-24	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 2–761（760 aa）	未记录	MG MAGNESIUM ION × 1 EDO 1,2-ETHANEDIOL × 3 MLI MALONATE ION × 1 AD9 ADP METAVANADATE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；0.24 M sodium malonate pH6.5, 21% PEG 3350	分辨率 2.60 Å R-free 0.263

共 48 个其他 PDB 条目、51 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	MYS2_DICDI
Isoform	—
PDB实体	1
链与序列区间	作者链 A； PDB构建体 2–759； UniProt 2–759

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	3bz7
沉积日期 deposition_date	2008-01-17
结构标题 title	Crystal Structures of (S)-(-)-Blebbistatin Analogs bound to Dictyostelium discoideum myosin II
关键词 keywords	;myosin inhibitor, motor domain, blebbistatin analogue, Actin-binding, ATP-binding, Calmodulin-binding, Coiled coil, Cytoplasm, Methylation, Motor protein, Nucleotide-binding, Phosphoprotein, CONTRACTILE PROTEIN ;; CONTRACTILE 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	28.65 Å
回转半径 Rg (电子) rg_electron	27.80 Å
零角强度 I(0) i0	98060800.00
分子量 molecular_weight	78622.0 kDa
排除体积 excluded_volume	98482 Å³
包络体积 envelope_volume	122310 Å³
水化壳体积 shell_volume	36253 Å³
包络直径 envelope_diameter	98.2 Å
壳层 Rg shell_rg	35.45 Å
包络 Rg envelope_rg	28.36 Å
形状 Rg shape_rg	27.81 Å
总 Rg total_rg	28.50 Å
总原子数 total_atoms	5553
残基数 n_residues	703
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	92.9 Å
Rg (实空间) rg_real	28.64 Å
Rg 误差 (实空间) rg_real_error	0.62 Å
I(0) (实空间) i0_real	9.8060e+07
I(0) 误差 (实空间) i0_real_error	1.3680e+06
Rg (倒空间) rg_reciprocal	28.65 Å
I(0) (倒空间) i0_reciprocal	98060000.0000
解质量估计 total_estimate	0.8810
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	33.8 Å
偏度 Skewness skewness	0.389
峰度 Kurtosis kurtosis	-0.205
角度范围 angular_range	— – 0.2750 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	16790000.0000
实空间数据点数 n_real_points	56
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.868; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.849

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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	Myosin-2 heavy chain, non muscle
分子量 formula_weight	86747.1 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	6260

GNPIHDRTSDYHKYLKVKQGDSDLFKLTVSDKRYIWYNPDPKERDSYECGEIVSETSDSFTFKTVDGQDRQVKKDDANQRNPIKFDGVEDMSELSYLNEPAVFHNLRVRYNQDLIYTYSGLFLVAVNPFKRIPIYTQEMVDIFKGRRRNEVAPHIFAISDVAYRSMLDDRQNQSLLITGESGAGKTENTKKVIQYLASVAGRNQANGSGVLEQQILQANPILEAFGNAKTTRNNNSSRFGKFIEIQFNSAGFISGASIQSYLLEKSRVVFQSETERNYHIFYQLLAGATAEEKKALHLAGPESFNYLNQSGCVDIKGVSDSEEFKITRQAMDIVGFSQEEQMSIFKIIAGILHLGNIKFEKGAGEGAVLKDKTALNAASTVFGVNPSVLEKALMEPRILAGRDLVAQHLNVEKSSSSRDALVKALYGRLFLWLVKKINNVLCQERKAYFIGVLDISGFEIFKVNSFEQLCINYTNEKLQQFFNHHMFKLEQEEYLKEKINWTFIDFGLDSQATIDLIDGRQPPGILALLDEQSVFPNATDNTLITKLHSHFSKKNAKYEEPRFSKTEFGVTHYAGQVMYEIQDWLEKNKDPLQQDLELCFKDSSDNVVTKLFNDPNIASRAKKGANFITVAAQYKEQLASLMATLETTNPHFVRCIIPNNKQLPAKLEDKVVLDQLRCNGVLEGIRITRKGFPNRIIYADFVKRYYLLAPNVPRDAEDSQKATDAVLKHLNIDPEQYRFGITKIFFRAGQLARIEEARELPN

来源 Source

来源生物 organism	Dictyostelium discoideum
NCBI 分类编号 ncbi_taxonomy_id	44689

实体 2 Entity 2 non-polymer

描述 description	MAGNESIUM ION
分子量 formula_weight	24.3 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

实体 3 Entity 3 non-polymer

描述 description	VANADATE ION
分子量 formula_weight	114.9 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

实体 4 Entity 4 non-polymer

描述 description	(3aS)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one
分子量 formula_weight	292.3 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

实体 5 Entity 5 non-polymer

描述 description	ADENOSINE-5'-DIPHOSPHATE
分子量 formula_weight	427.2 kDa
来源方法 src_method	syn
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	658

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7. 折叠分类 (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

结构域编号 domain_id	d3bz7a1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.34 — SH3-like barrel
超家族 Superfamily superfamily	b.34.3 — Myosin S1 fragment, N-terminal domain
家族 Family family	b.34.3.1 — Myosin S1 fragment, N-terminal domain

CATH v4.4 (1 domains)

结构域编号 domain_id	3bz7A01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1
同源超家族 H-superfamily homologous superfamily	530 —

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8. 引用文献 (2)

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晶胞边长 a length_a	88.219 Å
晶胞边长 b length_b	146.000 Å
晶胞边长 c length_c	153.086 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	C 2 2 21
空间群编号 int_tables_number	20
晶系 crystal_system	—

分辨率 resolution	2.000 Å
最低分辨率 resolution_low	35.510 Å
R 因子 r_factor	0.1850
R_work r_work	0.1830
R_free r_free	0.2229

fit	/app/data/saxs_computation/bz/3bz7/3bz7.fit
pddf	/app/data/pr_computation/bz/3bz7/3bz7.pr.out
profile	/app/data/saxs_computation/bz/3bz7/3bz7.dat