4K42

Crystal structure of actin in complex with synthetic AplC tail analogue SF01 [(3R,4S,5R,6S,10R,11R,12R)-11-(acetyloxy)-1-(benzyloxy)-14-[formyl(methyl)amino]-5-hydroxy-4,6,10,12-tetramethyl-9-oxotetradecan-3-yl propanoate]

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000287	molecular_function	magnesium ion binding
A	0001725	cellular_component	stress fiber
A	0003785	molecular_function	actin monomer binding
A	0005509	molecular_function	calcium ion binding
A	0005515	molecular_function	protein binding
A	0005523	molecular_function	tropomyosin binding
A	0005524	molecular_function	ATP binding
A	0005737	cellular_component	cytoplasm
A	0005856	cellular_component	cytoskeleton
A	0005865	cellular_component	striated muscle thin filament
A	0005884	cellular_component	actin filament
A	0010628	biological_process	positive regulation of gene expression
A	0016787	molecular_function	hydrolase activity
A	0019904	molecular_function	protein domain specific binding
A	0030027	cellular_component	lamellipodium
A	0030041	biological_process	actin filament polymerization
A	0030175	cellular_component	filopodium
A	0030240	biological_process	skeletal muscle thin filament assembly
A	0031013	molecular_function	troponin I binding
A	0031432	molecular_function	titin binding
A	0031941	cellular_component	filamentous actin
A	0032036	molecular_function	myosin heavy chain binding
A	0032432	cellular_component	actin filament bundle
A	0042802	molecular_function	identical protein binding
A	0044297	cellular_component	cell body
A	0048306	molecular_function	calcium-dependent protein binding
A	0048741	biological_process	skeletal muscle fiber development
A	0051017	biological_process	actin filament bundle assembly
A	0090131	biological_process	mesenchyme migration
A	0098723	cellular_component	skeletal muscle myofibril
A	0140660	molecular_function	cytoskeletal motor activator activity
B	0000287	molecular_function	magnesium ion binding
B	0001725	cellular_component	stress fiber
B	0003785	molecular_function	actin monomer binding
B	0005509	molecular_function	calcium ion binding
B	0005515	molecular_function	protein binding
B	0005523	molecular_function	tropomyosin binding
B	0005524	molecular_function	ATP binding
B	0005737	cellular_component	cytoplasm
B	0005856	cellular_component	cytoskeleton
B	0005865	cellular_component	striated muscle thin filament
B	0005884	cellular_component	actin filament
B	0010628	biological_process	positive regulation of gene expression
B	0016787	molecular_function	hydrolase activity
B	0019904	molecular_function	protein domain specific binding
B	0030027	cellular_component	lamellipodium
B	0030041	biological_process	actin filament polymerization
B	0030175	cellular_component	filopodium
B	0030240	biological_process	skeletal muscle thin filament assembly
B	0031013	molecular_function	troponin I binding
B	0031432	molecular_function	titin binding
B	0031941	cellular_component	filamentous actin
B	0032036	molecular_function	myosin heavy chain binding
B	0032432	cellular_component	actin filament bundle
B	0042802	molecular_function	identical protein binding
B	0044297	cellular_component	cell body
B	0048306	molecular_function	calcium-dependent protein binding
B	0048741	biological_process	skeletal muscle fiber development
B	0051017	biological_process	actin filament bundle assembly
B	0090131	biological_process	mesenchyme migration
B	0098723	cellular_component	skeletal muscle myofibril
B	0140660	molecular_function	cytoskeletal motor activator activity
C	0000287	molecular_function	magnesium ion binding
C	0001725	cellular_component	stress fiber
C	0003785	molecular_function	actin monomer binding
C	0005509	molecular_function	calcium ion binding
C	0005515	molecular_function	protein binding
C	0005523	molecular_function	tropomyosin binding
C	0005524	molecular_function	ATP binding
C	0005737	cellular_component	cytoplasm
C	0005856	cellular_component	cytoskeleton
C	0005865	cellular_component	striated muscle thin filament
C	0005884	cellular_component	actin filament
C	0010628	biological_process	positive regulation of gene expression
C	0016787	molecular_function	hydrolase activity
C	0019904	molecular_function	protein domain specific binding
C	0030027	cellular_component	lamellipodium
C	0030041	biological_process	actin filament polymerization
C	0030175	cellular_component	filopodium
C	0030240	biological_process	skeletal muscle thin filament assembly
C	0031013	molecular_function	troponin I binding
C	0031432	molecular_function	titin binding
C	0031941	cellular_component	filamentous actin
C	0032036	molecular_function	myosin heavy chain binding
C	0032432	cellular_component	actin filament bundle
C	0042802	molecular_function	identical protein binding
C	0044297	cellular_component	cell body
C	0048306	molecular_function	calcium-dependent protein binding
C	0048741	biological_process	skeletal muscle fiber development
C	0051017	biological_process	actin filament bundle assembly
C	0090131	biological_process	mesenchyme migration
C	0098723	cellular_component	skeletal muscle myofibril
C	0140660	molecular_function	cytoskeletal motor activator activity
D	0000287	molecular_function	magnesium ion binding
D	0001725	cellular_component	stress fiber
D	0003785	molecular_function	actin monomer binding
D	0005509	molecular_function	calcium ion binding
D	0005515	molecular_function	protein binding
D	0005523	molecular_function	tropomyosin binding
D	0005524	molecular_function	ATP binding
D	0005737	cellular_component	cytoplasm
D	0005856	cellular_component	cytoskeleton
D	0005865	cellular_component	striated muscle thin filament
D	0005884	cellular_component	actin filament
D	0010628	biological_process	positive regulation of gene expression
D	0016787	molecular_function	hydrolase activity
D	0019904	molecular_function	protein domain specific binding
D	0030027	cellular_component	lamellipodium
D	0030041	biological_process	actin filament polymerization
D	0030175	cellular_component	filopodium
D	0030240	biological_process	skeletal muscle thin filament assembly
D	0031013	molecular_function	troponin I binding
D	0031432	molecular_function	titin binding
D	0031941	cellular_component	filamentous actin
D	0032036	molecular_function	myosin heavy chain binding
D	0032432	cellular_component	actin filament bundle
D	0042802	molecular_function	identical protein binding
D	0044297	cellular_component	cell body
D	0048306	molecular_function	calcium-dependent protein binding
D	0048741	biological_process	skeletal muscle fiber development
D	0051017	biological_process	actin filament bundle assembly
D	0090131	biological_process	mesenchyme migration
D	0098723	cellular_component	skeletal muscle myofibril
D	0140660	molecular_function	cytoskeletal motor activator activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CA A 401

Chain	Residue
A	ADP402
A	HOH501
A	HOH503

---

site_id	AC2
Number of Residues	18
Details	BINDING SITE FOR RESIDUE ADP A 402

Chain	Residue
A	ASP157
A	GLY182
A	LYS213
A	GLU214
A	GLY301
A	GLY302
A	THR303
A	MET305
A	TYR306
A	LYS336
A	CA401
A	HOH503
A	GLY13
A	SER14
A	GLY15
A	LEU16
A	LYS18
A	GLY156

---

site_id	AC3
Number of Residues	12
Details	BINDING SITE FOR RESIDUE NWM A 403

Chain	Residue
A	TYR143
A	GLY146
A	THR148
A	GLY168
A	TYR169
A	ILE345
A	LEU349
A	THR351
A	HOH511
B	ASP24
B	SER344
B	NWM403

---

site_id	AC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CA B 401

Chain	Residue
B	GLN137
B	ADP402

---

site_id	AC5
Number of Residues	18
Details	BINDING SITE FOR RESIDUE ADP B 402

Chain	Residue
B	GLY13
B	SER14
B	GLY15
B	LEU16
B	LYS18
B	GLY156
B	ASP157
B	ARG210
B	LYS213
B	GLU214
B	GLY301
B	GLY302
B	THR303
B	MET305
B	TYR306
B	LYS336
B	CA401
B	HOH509

---

site_id	AC6
Number of Residues	14
Details	BINDING SITE FOR RESIDUE NWM B 403

Chain	Residue
A	ASP24
A	SER344
A	ILE345
A	NWM403
B	TYR133
B	VAL139
B	TYR143
B	GLY146
B	GLY168
B	TYR169
B	ILE345
B	LEU349
B	PHE352
B	HOH506

---

site_id	AC7
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CA C 401

Chain	Residue
C	ADP402

---

site_id	AC8
Number of Residues	19
Details	BINDING SITE FOR RESIDUE ADP C 402

Chain	Residue
C	GLY13
C	SER14
C	GLY15
C	LEU16
C	LYS18
C	GLY156
C	ASP157
C	GLY182
C	ARG210
C	LYS213
C	GLU214
C	GLY301
C	GLY302
C	THR303
C	MET305
C	TYR306
C	LYS336
C	CA401
C	HOH502

---

site_id	AC9
Number of Residues	11
Details	BINDING SITE FOR RESIDUE NWM C 403

Chain	Residue
C	TYR143
C	GLY146
C	THR148
C	GLY168
C	TYR169
C	ILE345
C	THR351
D	ASP24
D	SER344
D	ILE345
D	NWM403

---

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CA D 401

Chain	Residue
D	ADP402
D	HOH504
D	GLN137

---

site_id	BC2
Number of Residues	18
Details	BINDING SITE FOR RESIDUE ADP D 402

Chain	Residue
D	SER14
D	GLY15
D	LEU16
D	LYS18
D	GLY156
D	ASP157
D	GLY182
D	ARG210
D	LYS213
D	GLU214
D	GLY301
D	GLY302
D	THR303
D	MET305
D	TYR306
D	LYS336
D	CA401
D	HOH504

---

site_id	BC3
Number of Residues	12
Details	BINDING SITE FOR RESIDUE NWM D 403

Chain	Residue
C	ASP24
C	SER344
C	ILE345
C	NWM403
D	TYR133
D	TYR143
D	GLY146
D	THR148
D	GLY168
D	TYR169
D	ILE345
D	LEU349

---

Functional Information from PROSITE/UniProt

site_id	PS00406
Number of Residues	11
Details	ACTINS_1 Actins signature 1. YVGDEAQs.KRG

Chain	Residue	Details
A	TYR53-GLY63

---

site_id	PS00432
Number of Residues	9
Details	ACTINS_2 Actins signature 2. WITKqEYDE

Chain	Residue	Details
A	TRP356-GLU364

---

site_id	PS01132
Number of Residues	13
Details	ACTINS_ACT_LIKE Actins and actin-related proteins signature. LLTEApLNPkaNR

Chain	Residue	Details
A	LEU104-ARG116

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	MOD_RES: N-acetylaspartate; in Actin, alpha skeletal muscle => ECO:0000269|PubMed:1150665

Chain	Residue	Details
A	ASP1
B	ASP1
C	ASP1
D	ASP1

---

site_id	SWS_FT_FI2
Number of Residues	8
Details	MOD_RES: Methionine (R)-sulfoxide => ECO:0000250|UniProtKB:P68134

Chain	Residue	Details
A	MET44
A	MET47
B	MET44
B	MET47
C	MET44
C	MET47
D	MET44
D	MET47

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	MOD_RES: N6-malonyllysine => ECO:0000250

Chain	Residue	Details
A	LYS61
B	LYS61
C	LYS61
D	LYS61

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	MOD_RES: Tele-methylhistidine => ECO:0000269|PubMed:1150665, ECO:0000269|PubMed:16905096, ECO:0000269|PubMed:213279, ECO:0000269|PubMed:2395459, ECO:0000269|PubMed:499690, ECO:0007744|PDB:1ATN, ECO:0007744|PDB:1NWK

Chain	Residue	Details
A	HIS73
B	HIS73
C	HIS73
D	HIS73

---

site_id	SWS_FT_FI5
Number of Residues	4
Details	MOD_RES: N6-methyllysine => ECO:0000250|UniProtKB:P68133

Chain	Residue	Details
A	LYS84
B	LYS84
C	LYS84
D	LYS84

---

site_id	SWS_FT_FI6
Number of Residues	4
Details	MOD_RES: ADP-ribosylarginine; by SpvB => ECO:0000305|PubMed:16905096

Chain	Residue	Details
A	ARG177
B	ARG177
C	ARG177
D	ARG177

---