Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5N69

Cardiac muscle myosin S1 fragment in the pre-powerstroke state co-crystallized with the activator Omecamtiv Mecarbil

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003774	molecular_function	cytoskeletal motor activity
A	0005524	molecular_function	ATP binding
A	0016459	cellular_component	myosin complex
A	0051015	molecular_function	actin filament binding
B	0003774	molecular_function	cytoskeletal motor activity
B	0005524	molecular_function	ATP binding
B	0016459	cellular_component	myosin complex
B	0051015	molecular_function	actin filament binding
G	0005509	molecular_function	calcium ion binding
G	0016459	cellular_component	myosin complex
G	0016460	cellular_component	myosin II complex
H	0005509	molecular_function	calcium ion binding
H	0016459	cellular_component	myosin complex
H	0016460	cellular_component	myosin II complex

Functional Information from PDB Data

site_id	AC1
Number of Residues	19
Details	binding site for residue ADP A 901

Chain	Residue
A	ILE114
A	LYS184
A	THR185
A	VAL186
A	ASN238
A	VO4902
A	MG903
A	HOH1003
A	HOH1030
A	HOH1065
A	HOH1079
A	ASN126
A	PRO127
A	M3L129
A	TRP130
A	TYR134
A	GLY181
A	ALA182
A	GLY183

site_id	AC2
Number of Residues	11
Details	binding site for residue VO4 A 902

Chain	Residue
A	SER180
A	GLY181
A	LYS184
A	ASN238
A	SER241
A	SER242
A	GLY464
A	ADP901
A	MG903
A	HOH1020
A	HOH1042

site_id	AC3
Number of Residues	6
Details	binding site for residue MG A 903

Chain	Residue
A	THR185
A	SER242
A	ADP901
A	VO4902
A	HOH1003
A	HOH1020

site_id	AC4
Number of Residues	16
Details	binding site for residue 2OW A 904

Chain	Residue
A	LYS146
A	ARG147
A	ASN160
A	TYR164
A	THR167
A	ASP168
A	HIS492
A	HIS666
A	PRO710
A	ASN711
A	ARG712
A	ILE713
A	TYR722
A	LEU770
A	GLU774
A	HOH1017

site_id	AC5
Number of Residues	5
Details	binding site for residue GOL A 905

Chain	Residue
A	ASN361
A	LYS363
A	ASP376
A	GLU379
A	GLU380

site_id	AC6
Number of Residues	9
Details	binding site for residue GOL A 906

Chain	Residue
A	PHE494
A	GLN498
A	PHE510
A	ILE511
A	ASP512
A	PHE513
A	GLY514
A	MET515
A	HOH1043

site_id	AC7
Number of Residues	9
Details	binding site for residue GOL A 907

Chain	Residue
A	PHE244
A	GLY245
A	TYR266
A	LEU267
A	ALA463
A	CYS477
A	ILE478
A	THR481
A	HIS651

site_id	AC8
Number of Residues	8
Details	binding site for residue GOL A 908

Chain	Residue
A	GLU269
A	SER271
A	ARG272
A	PHE275
A	GLU474
A	GLN475
A	HOH1034
A	HOH1115

site_id	AC9
Number of Residues	5
Details	binding site for residue GOL A 909

Chain	Residue
A	MET6
A	ALA7
A	PHE9
A	ARG17
A	PRO151

site_id	AD1
Number of Residues	2
Details	binding site for residue GOL A 910

Chain	Residue
A	PHE275
A	LEU277

site_id	AD2
Number of Residues	5
Details	binding site for residue GOL A 911

Chain	Residue
A	LEU267
A	LEU268
A	LYS270
A	SER271
A	GLU474

site_id	AD3
Number of Residues	5
Details	binding site for residue GOL A 912

Chain	Residue
A	PHE470
A	LEU277
A	ALA279
A	PHE468
A	ASP469

site_id	AD4
Number of Residues	5
Details	binding site for residue GOL A 913

Chain	Residue
A	GLU537
A	PHE540
A	LYS542
A	ALA543
A	THR547

site_id	AD5
Number of Residues	2
Details	binding site for residue GOL A 914

Chain	Residue
A	TRP130
A	LEU131

site_id	AD6
Number of Residues	1
Details	binding site for residue GOL A 915

Chain	Residue
A	HOH1125

site_id	AD7
Number of Residues	3
Details	binding site for residue GOL A 916

Chain	Residue
A	ARG739
A	HIS760
A	HOH1104

site_id	AD8
Number of Residues	1
Details	binding site for residue GOL A 917

Chain	Residue
A	PHE510

site_id	AD9
Number of Residues	19
Details	binding site for residue ADP B 901

Chain	Residue
B	ILE114
B	ASN126
B	PRO127
B	M3L129
B	TRP130
B	TYR134
B	GLY181
B	ALA182
B	GLY183
B	LYS184
B	THR185
B	VAL186
B	ASN238
B	VO4902
B	MG903
B	HOH1010
B	HOH1039
B	HOH1080
B	HOH1081

site_id	AE1
Number of Residues	10
Details	binding site for residue VO4 B 902

Chain	Residue
B	SER180
B	GLY181
B	LYS184
B	ASN238
B	SER241
B	SER242
B	GLY464
B	ADP901
B	MG903
B	HOH1009

site_id	AE2
Number of Residues	6
Details	binding site for residue MG B 903

Chain	Residue
B	THR185
B	SER242
B	ADP901
B	VO4902
B	HOH1001
B	HOH1010

site_id	AE3
Number of Residues	12
Details	binding site for residue 2OW B 904

Chain	Residue
B	LYS146
B	ASN160
B	TYR164
B	THR167
B	ASP168
B	HIS492
B	HIS666
B	PRO710
B	ASN711
B	ARG712
B	TYR722
B	LEU770

site_id	AE4
Number of Residues	4
Details	binding site for residue GOL B 905

Chain	Residue
B	ASP382
B	LEU390
B	ASN391
B	HOH1151

site_id	AE5
Number of Residues	4
Details	binding site for residue GOL B 906

Chain	Residue
B	GLY245
B	TYR266
B	ALA463
B	HIS651

site_id	AE6
Number of Residues	6
Details	binding site for residue GOL B 907

Chain	Residue
B	VAL236
B	LEU277
B	ALA279
B	PHE468
B	ASP469
B	HOH1137

site_id	AE7
Number of Residues	7
Details	binding site for residue GOL B 908

Chain	Residue
B	PHE494
B	GLN498
B	PHE510
B	ILE511
B	ASP512
B	PHE513
B	MET515

site_id	AE8
Number of Residues	3
Details	binding site for residue GOL B 909

Chain	Residue
B	ARG403
B	TYR410
B	ASP607

site_id	AE9
Number of Residues	5
Details	binding site for residue GOL B 910

Chain	Residue
A	GLY253
A	ALA254
A	HOH1010
B	GLU536
B	HOH1021

site_id	AF1
Number of Residues	8
Details	binding site for residue GOL B 911

Chain	Residue
B	GLU269
B	SER271
B	PHE275
B	GLU474
B	GLN475
B	HOH1024
B	HOH1053
B	HOH1112

site_id	AF2
Number of Residues	2
Details	binding site for residue GOL B 912

Chain	Residue
B	LYS106
B	ALA110

site_id	AF3
Number of Residues	5
Details	binding site for residue GOL B 913

Chain	Residue
B	TRP130
B	LEU131
B	PRO132
B	HOH1042
B	HOH1079

site_id	AF4
Number of Residues	5
Details	binding site for residue TCE B 914

Chain	Residue
B	LEU302
B	ASP309
B	GLU379
B	GLU380
B	LYS383

site_id	AF5
Number of Residues	4
Details	binding site for residue GOL H 201

Chain	Residue
H	LEU176
H	ALA178
H	GLY179
H	HIS195

site_id	AF6
Number of Residues	4
Details	binding site for residue GOL H 202

Chain	Residue
A	ARG793
H	GLN93
H	GLU172
H	GOL203

site_id	AF7
Number of Residues	4
Details	binding site for residue GOL H 203

Chain	Residue
H	ARG85
H	GLN93
H	VAL96
H	GOL202

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	MOD_RES: N,N,N-trimethylalanine => ECO:0000269\|PubMed:3979397

Chain	Residue	Details
G	ALA2
H	ALA2

site_id	SWS_FT_FI2
Number of Residues	4
Details	MOD_RES: Phosphothreonine => ECO:0000250\|UniProtKB:P16409

Chain	Residue	Details
G	THR92
G	THR133
H	THR92
H	THR133

site_id	SWS_FT_FI3
Number of Residues	2
Details	MOD_RES: Phosphothreonine => ECO:0000250\|UniProtKB:P09542

Chain	Residue	Details
G	THR131
H	THR131

site_id	SWS_FT_FI4
Number of Residues	2
Details	MOD_RES: Phosphotyrosine => ECO:0000250\|UniProtKB:P16409

Chain	Residue	Details
G	TYR134
H	TYR134

site_id	SWS_FT_FI5
Number of Residues	2
Details	MOD_RES: Phosphoserine => ECO:0000250\|UniProtKB:P09542

Chain	Residue	Details
G	SER183
H	SER183

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)