3WI6

Crystal structure of MAPKAP Kinase-2 (MK2) in complex with non-selective inhibitor

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	9
Details	BINDING SITE FOR RESIDUE YRZ A 901

Chain	Residue
A	LEU70
A	ALA91
A	VAL118
A	GLU139
A	LEU141
A	GLU190
A	ASN191
A	LEU193
A	ASP207

---

site_id	AC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE YRZ B 901

Chain	Residue
B	LEU70
B	VAL118
B	GLU139
B	LEU141
B	GLU190
B	ASN191
B	LEU193
B	ASP207

---

site_id	AC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE YRZ C 901

Chain	Residue
C	LEU70
C	LEU72
C	GLY73
C	VAL118
C	GLU139
C	LEU141
C	GLU190
C	ASN191
C	LEU193
C	ASP207

---

site_id	AC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE YRZ D 901

Chain	Residue
D	LEU70
D	VAL118
D	GLU139
D	LEU141
D	GLU190
D	ASN191
D	LEU193
D	ASP207

---

site_id	AC5
Number of Residues	9
Details	BINDING SITE FOR RESIDUE YRZ E 901

Chain	Residue
E	LEU70
E	GLY73
E	VAL118
E	GLU139
E	LEU141
E	GLU190
E	ASN191
E	LEU193
E	ASP207

---

site_id	AC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE YRZ F 901

Chain	Residue
F	LEU70
F	GLY73
F	VAL118
F	GLU139
F	LEU141
F	GLU190
F	ASN191
F	LEU193
F	ASP207

---

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	THR222
B	THR222
C	THR222
D	THR222
E	THR222
F	THR222

---

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	THR334
B	THR334
C	THR334
D	THR334
E	THR334
F	THR334

---

site_id	SWS_FT_FI8
Number of Residues	12
Details	CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO) => ECO:0000269|PubMed:21131586

Chain	Residue	Details
A	LYS353
F	LYS353
B	LYS353
C	LYS353
D	LYS353
E	LYS353

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