2xel

Molecular Mechanism of Pentachloropseudilin Mediated Inhibition of Myosin Motor Activity

Method: X-RAY DIFFRACTION D_max: 114.6 Å Quality: GOOD

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

MYOSIN-2 HEAVY CHAIN

DICTYOSTELIUM DISCOIDEUM

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain A； UniProt 2–761	Fragment：MOTOR DOMAIN, RESUDES 2-761	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 crystallization conditions：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.	Resolution 2.50 Å R-free 0.253

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB	Difference from Current Entry 2XEL	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1D0X DICTYOSTELIUM MYOSIN S1DC (MOTOR DOMAIN FRAGMENT) COMPLEXED WITH M-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE. Deposited 1999-09-15	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–761（761 aa） Fragment：MYOSIN MOTOR DOMAIN	Mutation：Q760P, R761N	MG MAGNESIUM ION × 1 MNQ M-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions MICROBATCH；pH 7；277 K；8.3 % PEG 8000 125 MM NACL 3 MM DTT, pH 7.0, MICROBATCH, temperature 4.0K	Resolution 2.00 Å
1D0Y DICTYOSTELIUM MYOSIN S1DC (MOTOR DOMAIN FRAGMENT) COMPLEXED WITH O-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM FLUORIDE. Deposited 1999-09-15	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–761（761 aa） Fragment：S1DC MOTOR DOMAIN	Mutation：Q760P, R761N	MG MAGNESIUM ION × 1 ONP O-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions MICROBATCH；pH 7；277 K；8.3 % PEG 8000 125 MM NACL 3 MM DTT, pH 7.0, MICROBATCH, temperature 4.0K	Resolution 2.00 Å
1D0Z DICTYOSTELIUM MYOSIN S1DC (MOTOR DOMAIN FRAGMENT) COMPLEXED WITH P-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE. Deposited 1999-09-15	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–761（761 aa） Fragment：S1DC MOTOR DOMAIN	Mutation：Q760P, R761N	MG MAGNESIUM ION × 1 PNQ P-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions MICROBATCH；pH 7；277 K；8.3 % PEG 8000 125 mM NaCl 3 mM DTT, pH 7.0, microbatch, temperature 4.0K	Resolution 2.00 Å
1D1A DICTYOSTELIUM MYOSIN S1DC (MOTOR DOMAIN FRAGMENT) COMPLEXED WITH O,P-DINITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE. Deposited 1999-09-15	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–761（761 aa） Fragment：S1DC MOTOR DOMAIN	Mutation：Q760P, R761N	MG MAGNESIUM ION × 1 DAE O,P-DINITROPHENYL AMINOETHYLDIPHOSPHATE-BERYLLIUM TRIFLUORIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions MICROBATCH；pH 7；277 K；8.3 % PEG 8000 125 MM NACL 3 MM DTT, pH 7.0, MICROBATCH, temperature 4.0K	Resolution 2.00 Å
1D1B DICTYOSTELIUM MYOSIN S1DC (MOTOR DOMAIN FRAGMENT) COMPLEXED WITH O,P-DINITROPHENYL AMINOPROPYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE. Deposited 1999-09-15	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–761（761 aa） Fragment：S1DC MOTOR DOMAIN	Mutation：Q760P, R761N	MG MAGNESIUM ION × 1 DAQ O,P-DINITROPHENYL AMINOPROPYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions MICROBATCH；pH 7；277 K；8.3 % PEG 8000 125 mM NaCl 3 mM DTT, pH 7.0, microbatch, temperature 4.0K	Resolution 2.00 Å
1D1C DICTYOSTELIUM MYOSIN S1DC (MOTOR DOMAIN FRAGMENT) COMPLEXED WITH N-METHYL-O-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE. Deposited 1999-09-15	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–761（761 aa） Fragment：S1DC MOTOR DOMAIN	Mutation：Q760P, R761N	MG MAGNESIUM ION × 1 NMQ N-METHYL O-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions MICROBATCH；pH 7；277 K；8.3 % PEG 8000 125 MM NACL 3 MM DTT, pH 7.0, MICROBATCH, temperature 4.0K	Resolution 2.30 Å
1FMV CRYSTAL STRUCTURE OF THE APO MOTOR DOMAIN OF DICTYOSTELLIUM MYOSIN II Deposited 2000-08-18	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–759（759 aa） Fragment：MOTOR DOMAIN	Not recorded	CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions MICROBATCH；pH 7.5；277 K；8% Peg 8000, 50 mM Hepes, 1 mM DTT, pH 7.5, microbatch, temperature 4K	Resolution 2.10 Å R-free 0.280
1FMW CRYSTAL STRUCTURE OF THE MGATP COMPLEX FOR THE MOTOR DOMAIN OF DICTYOSTELIUM MYOSIN II Deposited 2000-08-18	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–759（759 aa） Fragment：MOTOR DOMAIN	Not recorded	MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；277 K；8% Peg 8000, 50 mM Hepes, 1 mM DTT, pH 7.5, microbatch, temperature 277K	Resolution 2.15 Å R-free 0.286
1G8X STRUCTURE OF A GENETICALLY ENGINEERED MOLECULAR MOTOR Deposited 2000-11-21	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–761（761 aa） Fragment：MYOSIN II HEAVY CHAIN, MOTOR DOMAIN RESIDUES 1-761, AND ALPHA-ACTININ 3, REPEATS 1 AND 2 RESIDUES 765-1002 Chain B 1–761（761 aa） Fragment：MYOSIN II HEAVY CHAIN, MOTOR DOMAIN RESIDUES 1-761, AND ALPHA-ACTININ 3, REPEATS 1 AND 2 RESIDUES 765-1002	Mutation：ARG238GLU Mutation：ARG238GLU	MG MAGNESIUM ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 2	X-RAY DIFFRACTION X-ray crystallization conditions 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	Resolution 2.80 Å R-free 0.290
1JWY CRYSTAL STRUCTURE OF THE DYNAMIN A GTPASE DOMAIN COMPLEXED WITH GDP, DETERMINED AS MYOSIN FUSION Deposited 2001-09-05	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 3–765（763 aa） Fragment：catalytic domain	Not recorded	BGC beta-D-glucopyranose × 1 MG MAGNESIUM ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions 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	Resolution 2.30 Å R-free 0.257
1JX2 CRYSTAL STRUCTURE OF THE NUCLEOTIDE-FREE DYNAMIN A GTPASE DOMAIN, DETERMINED AS MYOSIN FUSION Deposited 2001-09-05	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 3–765（763 aa） Fragment：catalytic domain	Not recorded	BGC beta-D-glucopyranose × 1 MG MAGNESIUM ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions 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	Resolution 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 Deposited 1997-09-05	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–759（759 aa） Fragment：MOTOR DOMAIN	Mutation：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 provides none of the parsed conditions	Resolution 1.90 Å
1MMA X-RAY STRUCTURES OF THE MGADP, MGATPGAMMAS, AND MGAMPPNP COMPLEXES OF THE DICTYOSTELIUM DISCOIDEUM MYOSIN MOTOR DOMAIN Deposited 1997-07-18	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–759（759 aa） Fragment：MOTOR DOMAIN	Mutation：Q760L, R761P, I762N	MG MAGNESIUM ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；pH 7.0	Resolution 2.10 Å
1MMD TRUNCATED HEAD OF MYOSIN FROM DICTYOSTELIUM DISCOIDEUM COMPLEXED WITH MGADP-BEF3 Deposited 1995-03-21	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–759（759 aa） Fragment：MOTOR DOMAIN	Mutation：Q760L, R761P, I762N	MG MAGNESIUM ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 BEF BERYLLIUM TRIFLUORIDE ION × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.00 Å
1MMG X-RAY STRUCTURES OF THE MGADP, MGATPGAMMAS, AND MGAMPPNP COMPLEXES OF THE DICTYOSTELIUM DISCOIDEUM MYOSIN MOTOR DOMAIN Deposited 1997-07-18	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–759（759 aa） Fragment：MOTOR DOMAIN	Mutation：Q760L, R761P, I762N	MG MAGNESIUM ION × 1 AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；pH 7.0	Resolution 2.10 Å
1MMN X-RAY STRUCTURES OF THE MGADP, MGATPGAMMAS, AND MGAMPPNP COMPLEXES OF THE DICTYOSTELIUM DISCOIDEUM MYOSIN MOTOR DOMAIN Deposited 1997-07-18	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–759（759 aa） Fragment：MOTOR DOMAIN	Mutation：Q760L, R761P, I762N	MG MAGNESIUM ION × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；pH 7.0	Resolution 2.10 Å
1MND TRUNCATED HEAD OF MYOSIN FROM DICTYOSTELIUM DISCOIDEUM COMPLEXED WITH MGADP-ALF4 Deposited 1995-04-15	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–759（759 aa） Fragment：MOTOR DOMAIN	Mutation：Q760L, R761P, I762N	MG MAGNESIUM ION × 1 ALF TETRAFLUOROALUMINATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.60 Å
1MNE TRUNCATED HEAD OF MYOSIN FROM DICTYOSTELIUM DISCOIDEUM COMPLEXED WITH MG-PYROPHOSPHATE Deposited 1995-04-20	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–759（759 aa） Fragment：MOTOR DOMAIN	Mutation：Q760L, R761P, I762N	MG MAGNESIUM ION × 1 POP PYROPHOSPHATE 2- × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.70 Å
1VOM COMPLEX BETWEEN DICTYOSTELIUM MYOSIN AND MGADP AND VANADATE AT 1.9A RESOLUTION Deposited 1995-11-09	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–759（759 aa） Fragment：TRUNCATED AT RESIDUE 762	Not recorded	MG MAGNESIUM ION × 1 VO4 VANADATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.90 Å
1W9I Myosin II Dictyostelium discoideum motor domain S456Y bound with MgADP-BeFx Deposited 2004-10-13	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–759（759 aa） Fragment：MOTOR DOMAIN, RESIDUES 1-754	Mutation：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 crystallization conditions 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	Resolution 1.75 Å R-free 0.207
1W9J Myosin II Dictyostelium discoideum motor domain S456Y bound with MgADP-AlF4 Deposited 2004-10-13	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–758（758 aa） Fragment：MOTOR DOMAIN, RESIDUES 1-755	Mutation：YES	MG MAGNESIUM ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 ALF TETRAFLUOROALUMINATE ION × 1 EDO 1,2-ETHANEDIOL × 5	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；12% PEG 8000, 50 MM HEPES PH 7, 100 MM NACL, 2 MM DTT, 2 MM NAN3	Resolution 2.00 Å R-free 0.225
1W9K Dictyostelium discoideum Myosin II motor domain S456E with bound MgADP-BeFx Deposited 2004-10-13	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–759（759 aa） Fragment：MOTOR DOMAIN, RESIDUES 1-759	Mutation：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 crystallization conditions pH 7；10% PEG 8000, 50 MM HEPES PH 7, 100 MM NACL, 2 MM DTT, 2 MM NAN3 BY MICROSEEDING	Resolution 2.05 Å R-free 0.232
1W9L Myosin II Dictyostelium discoideum motor domain S456E bound with MgADP-AlF4 Deposited 2004-10-13	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–759（759 aa） Fragment：MOTOR DOMAIN, RESIDUES 1-759	Mutation：YES	MG MAGNESIUM ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 ALF TETRAFLUOROALUMINATE ION × 1 EDO 1,2-ETHANEDIOL × 6	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；12% PEG 8000, 50 MM HEPES PH 7, 100 MM NACL, 2 MM DTT, 2 MM NAN3	Resolution 1.95 Å R-free 0.225
1YV3 The structural basis of blebbistatin inhibition and specificity for myosin II Deposited 2005-02-14	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–762（762 aa）	Not recorded	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 crystallization conditions 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	Resolution 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 Deposited 2005-08-03	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 2–765（764 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；Tris, PEG 8000, MPD, DTT, magnesium chloride, pH 8.00, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.90 Å R-free 0.224
2JHR Crystal structure of myosin-2 motor domain in complex with ADP- metavanadate and pentabromopseudilin Deposited 2008-03-25	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 2–761（760 aa） Fragment：MOTOR-DOMAIN, RESIDUES 2-761	Not recorded	AD9 ADP METAVANADATE × 1 MG MAGNESIUM ION × 1 PBQ PENTABROMOPSEUDILIN × 1	X-RAY DIFFRACTION X-ray crystallization conditions 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.	Resolution 2.80 Å R-free 0.265
2JJ9 Crystal structure of myosin-2 in complex with ADP-metavanadate Deposited 2008-03-25	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 2–761（760 aa） Fragment：MOTOR-DOMAIN, RESIDUES 2-761	Not recorded	AD9 ADP METAVANADATE × 1 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions 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	Resolution 2.30 Å R-free 0.275
2X9H CRYSTAL STRUCTURE OF MYOSIN-2 MOTOR DOMAIN IN COMPLEX WITH ADP- METAVANADATE AND PENTACHLOROCARBAZOLE Deposited 2010-03-19	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 2–696（695 aa） Fragment：MYOSIN MOTOR DOMAIN, RESIDUES 2-696	Not recorded	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 crystallization conditions 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	Resolution 2.70 Å R-free 0.289
2XO8 Crystal Structure of Myosin-2 in Complex with Tribromodichloropseudilin Deposited 2010-08-10	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 3–761（759 aa） Fragment：MOTOR DOMAIN, RESIDUES 3-761	Not recorded	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 crystallization conditions pH 6.8；50 MM HEPES(PH 6.8), 110 MM NACL, 11% PEG 5K-MME, 2% MPD, 5MM DTT, 1MM EGTA,5MM MGCL2	Resolution 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 Deposited 2010-12-07	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain X 2–759（758 aa） Fragment：MOTOR DOMAIN, RESIDUES 2-759	Mutation：YES	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 6.5；100 MM MES (PH 6.5), 25% PEG 8000.	Resolution 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 Deposited 2011-02-07	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain X 2–759（758 aa） Fragment：MOTOR DOMAIN, RESIDUES 2-759	Mutation：YES	ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；13% PEG 6000, 4% GLYCEROL., pH 7.0	Resolution 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 Deposited 2011-02-14	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain X 2–759（758 aa） Fragment：MOTOR DOMAIN, RESIDUES 2-759	Mutation：YES	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；100 MM HEPES (PH 7.5), 20% PEG10000	Resolution 3.40 Å R-free 0.372
3BZ7 Crystal Structures of (S)-(-)-Blebbistatin Analogs bound to Dictyostelium discoideum myosin II Deposited 2008-01-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 2–759（758 aa） Fragment：motor domain, myosine head-like domain	Not recorded	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 crystallization conditions 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	Resolution 2.00 Å R-free 0.223
3BZ7 Crystal Structures of (S)-(-)-Blebbistatin Analogs bound to Dictyostelium discoideum myosin II Deposited 2008-01-17	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 2–759（758 aa） Fragment：motor domain, myosine head-like domain	Not recorded	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 crystallization conditions 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	Resolution 2.00 Å R-free 0.223
3BZ8 Crystal Structures of (S)-(-)-Blebbistatin Analogs bound to Dictyostelium discoideum myosin II Deposited 2008-01-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 2–759（758 aa） Fragment：Motor domain, Myosine head-like domain	Not recorded	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 crystallization conditions 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	Resolution 2.20 Å R-free 0.245
3BZ8 Crystal Structures of (S)-(-)-Blebbistatin Analogs bound to Dictyostelium discoideum myosin II Deposited 2008-01-17	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 2–759（758 aa） Fragment：Motor domain, Myosine head-like domain	Not recorded	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 crystallization conditions 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	Resolution 2.20 Å R-free 0.245
3BZ9 Crystal Structures of (S)-(-)-Blebbistatin Analogs bound to Dictyostelium discoideum myosin II Deposited 2008-01-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 2–759（758 aa） Fragment：Motor domain, Myosine head-like domain	Not recorded	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 crystallization conditions 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	Resolution 2.10 Å R-free 0.238
3BZ9 Crystal Structures of (S)-(-)-Blebbistatin Analogs bound to Dictyostelium discoideum myosin II Deposited 2008-01-17	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 2–759（758 aa） Fragment：Motor domain, Myosine head-like domain	Not recorded	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 crystallization conditions 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	Resolution 2.10 Å R-free 0.238
3MJX Crystal structure of myosin-2 motor domain in complex with ADP-Metavanadate and blebbistatin Deposited 2010-04-13	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 2–761（760 aa）	Not recorded	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 crystallization conditions 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	Resolution 2.20 Å R-free 0.226
3MKD Crystal structure of myosin-2 dictyostelium discoideum motor domain S456Y mutant in complex with adp-orthovanadate Deposited 2010-04-14	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 2–693（692 aa） Fragment：Myosin-2 motor domain, UNP residues 2-693	Mutation：S456Y	MG MAGNESIUM ION × 1 VO4 VANADATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions 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	Resolution 2.40 Å R-free 0.240
3MNQ Crystal structure of myosin-2 motor domain in complex with ADP-metavanadate and resveratrol Deposited 2010-04-22	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 3–761（759 aa） Fragment：motor domain, residues 3-761	Not recorded	AD9 ADP METAVANADATE × 1 MG MAGNESIUM ION × 1 STL RESVERATROL × 1 EDO 1,2-ETHANEDIOL × 4	X-RAY DIFFRACTION X-ray crystallization conditions 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	Resolution 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 Deposited 2010-05-10	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain X 2–759（758 aa）	Mutation：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 crystallization conditions 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	Resolution 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 Deposited 2010-05-10	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain X 2–759（758 aa）	Mutation：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 crystallization conditions 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	Resolution 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 Deposited 2010-05-10	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain X 2–759（758 aa）	Mutation：S236A	MG MAGNESIUM ION × 1 POP PYROPHOSPHATE 2- × 1	X-RAY DIFFRACTION X-ray crystallization conditions 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	Resolution 2.00 Å R-free 0.244
4AE3 Crystal structure of ammosamide 272:myosin-2 motor domain complex Deposited 2012-01-05	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 2–761（760 aa） Fragment：MOTOR DOMAIN, RESIDUES 2-761	Not recorded	AOV ADP ORTHOVANADATE × 1 MG MAGNESIUM ION × 1 27X AMMOSAMIDE 272 × 2 EDO 1,2-ETHANEDIOL × 4	X-RAY DIFFRACTION X-ray crystallization conditions 50 MM HEPES PH 7.6, 140 MM NACL, 11% W/V PEG5K-MME, 2% (V/V) MPD	Resolution 2.50 Å R-free 0.254
4PJK Dicty myosin II R238E.E459R mutant (with ADP.Pi) in the Pi release state Deposited 2014-05-12	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: Monomeric	Chain A 1–761（761 aa）	Mutation：R238E, E459R	MG MAGNESIUM ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 PO4 PHOSPHATE ION × 2 GOL GLYCEROL × 7	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；11,25% PEG8k, 100mM MOPS pH 7,5, 1mM TCEP, 250mM MgCl2, 50mM NaH2PO4	Resolution 2.15 Å R-free 0.213
6Z2S Crystal structure of adhibin analogue-bound myosin-2 Deposited 2020-05-18	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 2–761（760 aa）	Not recorded	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 crystallization conditions VAPOR DIFFUSION；277 K；0.2 M lithium acetate and 20 % PEG 3350	Resolution 3.20 Å R-free 0.262
6Z7T Nucleotide-free Myosin-II motor domain Deposited 2020-06-01	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 2–761（760 aa）	Not recorded	MG MAGNESIUM ION × 2 EDO 1,2-ETHANEDIOL × 10 GOL GLYCEROL × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；100 mM HEPES, pH7.5, 10% PEG8000, 8% Ethylenglycol	Resolution 1.88 Å R-free 0.217
6Z7T Nucleotide-free Myosin-II motor domain Deposited 2020-06-01	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 2–761（760 aa）	Not recorded	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 crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；100 mM HEPES, pH7.5, 10% PEG8000, 8% Ethylenglycol	Resolution 1.88 Å R-free 0.217
6Z7U Myosin-II motor domain complexed with blebbistatin in a new ADP-release conformation Deposited 2020-06-01	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 2–761（760 aa）	Not recorded	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 crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.1 M HEPES, pH7.5, 10% PEG8000, 8% ethylene glycol	Resolution 2.58 Å R-free 0.231
7B19 Mutant Myosin-II-GGG motor domain Deposited 2020-11-24	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 2–646（645 aa） Chain A 649–761（113 aa）	Not recorded	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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.24 M sodium malonate, pH8.0, 27% PEG 3350	Resolution 2.55 Å R-free 0.252
7B1A Myosin-II-AA mutant motor domain Deposited 2020-11-24	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 2–761（760 aa）	Not recorded	MG MAGNESIUM ION × 1 EDO 1,2-ETHANEDIOL × 3 MLI MALONATE ION × 1 AD9 ADP METAVANADATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；0.24 M sodium malonate pH6.5, 21% PEG 3350	Resolution 2.60 Å R-free 0.263

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

View Construct and Data Evidence

UniProt name	MYS2_DICDI
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–760； UniProt 2–761

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

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

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	2xel
Deposition date deposition_date	2010-05-16
Structure title title	Molecular Mechanism of Pentachloropseudilin Mediated Inhibition of Myosin Motor Activity
Keywords keywords	CONTRACTILE PROTEIN, ALLOSTERIC INHIBITOR, NON-HYDROYLSABLE ATP ANALOGUE, MOTOR PROTEIN; MOTOR PROTEIN
Experimental Method method	X-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier	30.76 Å
Radius of gyration Rg (electron density) rg_electron	30.09 Å
Forward intensity I(0) i0	127467000.00
Molecular weight molecular_weight	89261.0 kDa
Excluded volume excluded_volume	111600 Å³
Envelope volume envelope_volume	142560 Å³
Hydration-shell volume shell_volume	39568 Å³
Envelope diameter envelope_diameter	125.1 Å
Shell Rg shell_rg	37.00 Å
Envelope Rg envelope_rg	30.74 Å
Shape Rg shape_rg	30.10 Å
Total Rg total_rg	30.66 Å
Total atoms total_atoms	6288
Residues n_residues	776
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax	114.6 Å
Rg (real space) rg_real	30.80 Å
Rg uncertainty (real space) rg_real_error	1.07 Å
I(0) (real space) i0_real	1.2750e+08
I(0) uncertainty (real space) i0_real_error	2.0870e+06
Rg (reciprocal space) rg_reciprocal	30.79 Å
I(0) (reciprocal space) i0_reciprocal	127500000.0000
Solution quality estimate total_estimate	0.8238
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	35.3 Å
Skewness Skewness skewness	0.447
Kurtosis Kurtosis kurtosis	-0.111
Angular range angular_range	— – 0.2600 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	25410000.0000
Real-space data points n_real_points	53
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.608; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.894; Smooth: 0.985

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Description description	MYOSIN-2 HEAVY CHAIN
Molecular weight formula_weight	88514.0 kDa
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	6746

NPIHDRTSDYHKYLKVKQGDSDLFKLTVSDKRYIWYNPDPKERDSYECGEIVSETSDSFTFKTVDGQDRQVKKDDANQRNPIKFDGVEDMSELSYLNEPAVFHNLRVRYNQDLIYTYSGLFLVAVNPFKRIPIYTQEMVDIFKGRRRNEVAPHIFAISDVAYRSMLDDRQNQSLLITGESGAGKTENTKKVIQYLASVAGRNQANGSGVLEQQILQANPILEAFGNAKTTRNNNSSRFGKFIEIQFNSAGFISGASIQSYLLEKSRVVFQSETERNYHIFYQLLAGATAEEKKALHLAGPESFNYLNQSGCVDIKGVSDSEEFKITRQAMDIVGFSQEEQMSIFKIIAGILHLGNIKFEKGAGEGAVLKDKTALNAASTVFGVNPSVLEKALMEPRILAGRDLVAQHLNVEKSSSSRDALVKALYGRLFLWLVKKINNVLCQERKAYFIGVLDISGFEIFKVNSFEQLCINYTNEKLQQFFNHHMFKLEQEEYLKEKINWTFIDFGLDSQATIDLIDGRQPPGILALLDEQSVFPNATDNTLITKLHSHFSKKNAKYEEPRFSKTEFGVTHYAGQVMYEIQDWLEKNKDPLQQDLELCFKDSSDNVVTKLFNDPNIASRAKKGANFITVAAQYKEQLASLMATLETTNPHFVRCIIPNNKQLPAKLEDKVVLDQLRCNGVLEGIRITRKGFPNRIIYADFVKRYYLLAPNVPRDAEDSQKATDAVLKHLNIDPEQYRFGITKIFFRAGQLARIEEAREQRLESNEPPMDFDDDIPF

来源 Source

来源生物 organism	DICTYOSTELIUM DISCOIDEUM
通用名 common_name	SLIME MOLD
NCBI Class编号 ncbi_taxonomy_id	44689
宿主生物 host_organism	DICTYOSTELIUM DISCOIDEUM

Entity 2 Entity 2 non-polymer

Description description	ADP METAVANADATE
Molecular weight formula_weight	527.1 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 3 Entity 3 non-polymer

Description description	MAGNESIUM ION
Molecular weight formula_weight	24.3 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 4 Entity 4 non-polymer

Description description	2,4-DICHLORO-6-(3,4,5-TRICHLORO-1H-PYRROL-2YL)PHENOL
Molecular weight formula_weight	331.4 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 5 Entity 5 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	458

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7. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

Domain ID domain_id	2xelA01
Class class	1 — Mainly Alpha
Architecture architecture	20 — Up-down Bundle
Topology topology	58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1
Homologous superfamily homologous superfamily	530 —

Domain ID domain_id	2xelA02
Class class	1 — Mainly Alpha
Architecture architecture	20 — Up-down Bundle
Topology topology	58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1
Homologous superfamily homologous superfamily	60 —

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8. Citations (1)

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Unit-cell length a length_a	89.530 Å
Unit-cell length b length_b	147.490 Å
Unit-cell length c length_c	153.780 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	8

Space group space_group	C 2 2 21
Space-group number int_tables_number	20
Crystal system crystal_system	—

Resolution resolution	2.500 Å
Low-resolution limit resolution_low	24.590 Å
R factor r_factor	0.2290
R_work r_work	0.2290
R_free r_free	0.2530

fit	/app/data/saxs_computation/xe/2xel/2xel.fit
pddf	/app/data/pr_computation/xe/2xel/2xel.pr.out
profile	/app/data/saxs_computation/xe/2xel/2xel.dat