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Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6T8X

Crystal structure of MAPKAPK2 (MK2) complexed with PF-3644022 and 5-(4-bromophenyl)-N-[4-(1-piperazinyl)phenyl]-N-(2-pyridinylmethyl)-2-furancarboxamide

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004672	molecular_function	protein kinase activity
A	0005524	molecular_function	ATP binding
A	0006468	biological_process	protein phosphorylation
B	0004672	molecular_function	protein kinase activity
B	0005524	molecular_function	ATP binding
B	0006468	biological_process	protein phosphorylation
C	0004672	molecular_function	protein kinase activity
C	0005524	molecular_function	ATP binding
C	0006468	biological_process	protein phosphorylation
D	0004672	molecular_function	protein kinase activity
D	0005524	molecular_function	ATP binding
D	0006468	biological_process	protein phosphorylation
E	0004672	molecular_function	protein kinase activity
E	0005524	molecular_function	ATP binding
E	0006468	biological_process	protein phosphorylation
F	0004672	molecular_function	protein kinase activity
F	0005524	molecular_function	ATP binding
F	0006468	biological_process	protein phosphorylation

Functional Information from PDB Data

site_id	AC1
Number of Residues	14
Details	binding site for residue B97 A 401

Chain	Residue
A	LEU70
A	GLU190
A	ASN191
A	LEU193
A	THR206
A	ASP207
A	LEU72
A	VAL78
A	ALA91
A	LYS93
A	MET138
A	GLU139
A	LEU141
A	ASP142

site_id	AC2
Number of Residues	3
Details	binding site for residue CL A 402

Chain	Residue
A	SER265
A	ASN266
A	SER272

site_id	AC3
Number of Residues	12
Details	binding site for residue MW8 A 403

Chain	Residue
A	ILE150
A	ILE255
A	GLY259
A	TYR260
A	PRO261
A	TYR264
A	SER265
A	ASN266
A	GLY268
A	GLU290
D	TYR228
D	TYR229

site_id	AC4
Number of Residues	14
Details	binding site for residue B97 B 401

Chain	Residue
B	LEU70
B	LEU72
B	VAL78
B	ALA91
B	LYS93
B	MET138
B	GLU139
B	CYS140
B	LEU141
B	ASP142
B	ASN191
B	LEU193
B	THR206
B	ASP207

site_id	AC5
Number of Residues	4
Details	binding site for residue CL B 402

Chain	Residue
B	SER265
B	ASN266
B	SER272
B	ARG278

site_id	AC6
Number of Residues	10
Details	binding site for residue MW8 B 403

Chain	Residue
A	TYR228
A	TYR229
B	PHE147
B	GLY259
B	TYR260
B	PRO261
B	TYR264
B	SER265
B	ASN266
B	GLY268

site_id	AC7
Number of Residues	13
Details	binding site for residue B97 C 401

Chain	Residue
C	LEU70
C	VAL78
C	ALA91
C	LYS93
C	MET138
C	GLU139
C	LEU141
C	ASP142
C	GLU190
C	ASN191
C	LEU193
C	THR206
C	ASP207

site_id	AC8
Number of Residues	3
Details	binding site for residue CL C 402

Chain	Residue
C	SER265
C	ASN266
C	SER272

site_id	AC9
Number of Residues	9
Details	binding site for residue MW8 C 403

Chain	Residue
C	PHE147
C	GLY259
C	TYR260
C	PRO261
C	TYR264
C	SER265
C	GLY268
C	GLU290
C	HOH508

site_id	AD1
Number of Residues	16
Details	binding site for residue B97 D 401

Chain	Residue
D	LEU70
D	LEU72
D	GLY73
D	VAL78
D	ALA91
D	LYS93
D	MET138
D	GLU139
D	CYS140
D	LEU141
D	ASP142
D	GLU190
D	ASN191
D	LEU193
D	THR206
D	ASP207

site_id	AD2
Number of Residues	4
Details	binding site for residue CL D 402

Chain	Residue
D	ASN266
D	SER272
D	ARG278
D	SER265

site_id	AD3
Number of Residues	11
Details	binding site for residue MW8 D 403

Chain	Residue
B	TYR228
B	TYR229
D	PHE147
D	ILE150
D	GLY259
D	TYR260
D	PRO261
D	TYR264
D	SER265
D	GLY268
D	GLU290

site_id	AD4
Number of Residues	17
Details	binding site for residue B97 E 401

Chain	Residue
E	LEU70
E	LEU72
E	VAL78
E	LYS89
E	ALA91
E	LYS93
E	MET138
E	GLU139
E	CYS140
E	LEU141
E	ASP142
E	GLU190
E	ASN191
E	LEU193
E	THR206
E	ASP207
E	HOH502

site_id	AD5
Number of Residues	3
Details	binding site for residue CL E 402

Chain	Residue
E	SER265
E	ASN266
E	SER272

site_id	AD6
Number of Residues	11
Details	binding site for residue MW8 E 403

Chain	Residue
C	PRO199
E	PHE147
E	ILE255
E	GLY259
E	TYR260
E	PRO261
E	TYR264
E	SER265
E	ASN266
E	GLY268
E	GLU290

site_id	AD7
Number of Residues	16
Details	binding site for residue B97 F 401

Chain	Residue
F	LEU70
F	LEU72
F	GLY73
F	VAL78
F	ALA91
F	LYS93
F	MET138
F	GLU139
F	CYS140
F	LEU141
F	ASP142
F	GLU190
F	ASN191
F	LEU193
F	THR206
F	ASP207

site_id	AD8
Number of Residues	3
Details	binding site for residue CL F 402

Chain	Residue
F	ASN266
F	SER272
F	ARG278

site_id	AD9
Number of Residues	10
Details	binding site for residue MW8 F 403

Chain	Residue
E	TYR228
F	ILE255
F	GLY259
F	TYR260
F	PRO261
F	TYR264
F	SER265
F	ASN266
F	GLY268
F	GLU290

Functional Information from PROSITE/UniProt

site_id	PS00107
Number of Residues	24
Details	PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGLGINGKVLqIfnkrtqek..........FALK

Chain	Residue	Details
A	LEU70-LYS93

site_id	PS00108
Number of Residues	13
Details	PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IaHrDVKpeNLLY

Chain	Residue	Details
A	ILE182-TYR194

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	6
Details	ACT_SITE: Proton acceptor

Chain	Residue	Details
A	ASP186
B	ASP186
C	ASP186
D	ASP186
E	ASP186
F	ASP186

site_id	SWS_FT_FI2
Number of Residues	12
Details	BINDING: BINDING => ECO:0000255\|PROSITE-ProRule:PRU00159

Chain	Residue	Details
A	LEU70
E	LYS93
F	LEU70
F	LYS93
A	LYS93
B	LEU70
B	LYS93
C	LEU70
C	LYS93
D	LEU70
D	LYS93
E	LEU70

site_id	SWS_FT_FI3
Number of Residues	6
Details	BINDING:

Chain	Residue	Details
A	GLU139
B	GLU139
C	GLU139
D	GLU139
E	GLU139
F	GLU139

site_id	SWS_FT_FI4
Number of Residues	6
Details	MOD_RES: Phosphothreonine; by MAPK14 => ECO:0000269\|PubMed:8846784

Chain	Residue	Details
A	GLU222
B	GLU222
C	GLU222
D	GLU222
E	GLU222
F	GLU222

site_id	SWS_FT_FI5
Number of Residues	6
Details	MOD_RES: Phosphoserine; by MAPK14 => ECO:0000269\|PubMed:8846784

Chain	Residue	Details
A	SER272
B	SER272
C	SER272
D	SER272
E	SER272
F	SER272

site_id	SWS_FT_FI6
Number of Residues	6
Details	MOD_RES: Phosphoserine; by autocatalysis => ECO:0000250

Chain	Residue	Details
A	SER328
B	SER328
C	SER328
D	SER328
E	SER328
F	SER328

site_id	SWS_FT_FI7
Number of Residues	6
Details	MOD_RES: Phosphothreonine; by MAPK14 => ECO:0000269\|PubMed:8846784, ECO:0007744\|PubMed:23186163, ECO:0007744\|PubMed:24275569

Chain	Residue	Details
A	GLU334
B	GLU334
C	GLU334
D	GLU334
E	GLU334
F	GLU334

226707

PDB entries from 2024-10-30

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