3R2B

MK2 kinase bound to Compound 5b

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
G	0004672	molecular_function	protein kinase activity
G	0005524	molecular_function	ATP binding
G	0006468	biological_process	protein phosphorylation
H	0004672	molecular_function	protein kinase activity
H	0005524	molecular_function	ATP binding
H	0006468	biological_process	protein phosphorylation
I	0004672	molecular_function	protein kinase activity
I	0005524	molecular_function	ATP binding
I	0006468	biological_process	protein phosphorylation
J	0004672	molecular_function	protein kinase activity
J	0005524	molecular_function	ATP binding
J	0006468	biological_process	protein phosphorylation
K	0004672	molecular_function	protein kinase activity
K	0005524	molecular_function	ATP binding
K	0006468	biological_process	protein phosphorylation
L	0004672	molecular_function	protein kinase activity
L	0005524	molecular_function	ATP binding
L	0006468	biological_process	protein phosphorylation

Functional Information from PDB Data

site_id	AC1
Number of Residues	12
Details	BINDING SITE FOR RESIDUE 05B A 1000

Chain	Residue
A	LEU70
A	ASN191
A	LEU193
A	ASP207
A	LEU72
A	VAL78
A	ALA91
A	LYS93
A	GLU139
A	CYS140
A	LEU141
A	GLU190

---

site_id	AC2
Number of Residues	11
Details	BINDING SITE FOR RESIDUE 05B B 1000

Chain	Residue
B	LEU72
B	VAL78
B	ALA91
B	LYS93
B	GLU139
B	LEU141
B	ASP142
B	ASN191
B	LEU193
B	THR206
B	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	12
Details	ACT_SITE: Proton acceptor

Chain	Residue	Details
A	ASP186
B	ASP186
C	ASP186
D	ASP186
E	ASP186
F	ASP186
G	ASP186
H	ASP186
I	ASP186
J	ASP186
K	ASP186
L	ASP186

---

site_id	SWS_FT_FI2
Number of Residues	24
Details	BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159

Chain	Residue	Details
E	LYS93
F	LEU70
F	LYS93
G	LEU70
G	LYS93
H	LEU70
H	LYS93
I	LEU70
I	LYS93
J	LEU70
J	LYS93
K	LEU70
K	LYS93
L	LEU70
L	LYS93
A	LEU70
A	LYS93
B	LEU70
B	LYS93
C	LEU70
C	LYS93
D	LEU70
D	LYS93
E	LEU70

---

site_id	SWS_FT_FI3
Number of Residues	12
Details	BINDING:

Chain	Residue	Details
A	GLU139
B	GLU139
C	GLU139
D	GLU139
E	GLU139
F	GLU139
G	GLU139
H	GLU139
I	GLU139
J	GLU139
K	GLU139
L	GLU139

---

site_id	SWS_FT_FI4
Number of Residues	12
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
G	THR222
H	THR222
I	THR222
J	THR222
K	THR222
L	THR222

---

site_id	SWS_FT_FI5
Number of Residues	12
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
G	SER272
H	SER272
I	SER272
J	SER272
K	SER272
L	SER272

---

site_id	SWS_FT_FI6
Number of Residues	12
Details	MOD_RES: Phosphoserine; by autocatalysis => ECO:0000250

Chain	Residue	Details
A	SER328
B	SER328
C	SER328
D	SER328
E	SER328
F	SER328
G	SER328
H	SER328
I	SER328
J	SER328
K	SER328
L	SER328

---

site_id	SWS_FT_FI7
Number of Residues	12
Details	MOD_RES: Phosphothreonine; by MAPK14 => ECO:0000269|PubMed:8846784, ECO:0007744|PubMed:23186163, ECO:0007744|PubMed:24275569

Chain	Residue	Details
A	THR334
C	THR334
E	THR334
I	THR334
K	THR334
B	THR334
D	THR334
F	THR334
H	THR334
J	THR334
L	THR334
G	THR334

---

site_id	SWS_FT_FI8
Number of Residues	24
Details	CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO) => ECO:0000269|PubMed:21131586

Chain	Residue	Details
A	LYS353
B	LYS353
C	LYS353
D	LYS353
E	LYS353
F	LYS353
G	LYS353
H	LYS353
I	LYS353
J	LYS353
K	LYS353
L	LYS353

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