2A2A

High-resolution crystallographic analysis of the autoinhibited conformation of a human death-associated protein kinase

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA C 3158

Chain	Residue
C	ASN190
D	ASN190
D	HOH3188
D	HOH3286

---

site_id	AC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE NA B 3763

Chain	Residue
B	VAL56
B	SER57
B	GLU60

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA A 3152

Chain	Residue
B	ASN190
B	HOH3790
B	HOH4029
A	ASN190
A	HOH3353

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA D 3175

Chain	Residue
D	LEU211
D	THR244
D	VAL290
D	HOH3212
D	HOH3227
D	HOH3328

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA A 3178

Chain	Residue
A	LEU211
A	THR244
A	HOH3361
A	HOH3364

---

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA B 3221

Chain	Residue
B	LEU211
B	THR244
B	HOH3797
B	HOH3801

---

site_id	AC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE NA C 3281

Chain	Residue
C	SER57
C	GLU60
C	HOH3480

---

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA C 3291

Chain	Residue
C	LEU211
C	THR244
C	HOH3332
C	HOH3355

---

site_id	AC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL C 3039

Chain	Residue
C	PRO142
C	GLU143
C	HOH3391

---

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL A 3065

Chain	Residue
A	ARG63
A	HIS166
A	GLU167
A	HOH3583

---

site_id	BC2
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL A 3318

Chain	Residue
A	ARG58

---

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE DTT A 2002

Chain	Residue
A	PHE178
A	GLY179
B	DTT2003
B	HOH4045

---

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE DTT B 2003

Chain	Residue
A	DTT2002
B	PHE178
B	GLY179
B	HOH4045

---

site_id	BC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE DTT C 2004

Chain	Residue
C	PHE178
C	GLY179
C	HOH3457
D	DTT2005

---

site_id	BC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE DTT D 2005

Chain	Residue
C	DTT2004
C	HOH3457
D	PHE178
D	GLY179

---

site_id	BC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 3001

Chain	Residue
A	ALA40
A	ILE77
A	GLU94
A	LEU95
A	VAL96
A	MET146
A	HOH3321

---

site_id	BC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL C 3002

Chain	Residue
C	ALA40
C	ILE77
C	GLU94
C	LEU95
C	VAL96
C	HOH3292

---

site_id	BC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL D 3003

Chain	Residue
D	ALA40
D	ILE77
D	GLU94
D	LEU95
D	VAL96
D	HOH3177

---

Functional Information from PROSITE/UniProt

site_id	PS00107
Number of Residues	28
Details	PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGSGQFAIVKkCrekstgleyaak......FIKK

Chain	Residue	Details
A	LEU19-LYS46

---

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

Chain	Residue	Details
A	ILE135-LEU147

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10027

Chain	Residue	Details
D	ASP139
A	ASP139
B	ASP139
C	ASP139

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159

Chain	Residue	Details
A	LEU19
B	LEU19
C	LEU19
D	LEU19

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000269|PubMed:10376525, ECO:0000269|PubMed:10629061

Chain	Residue	Details
A	LYS42
B	LYS42
C	LYS42
D	LYS42

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163

Chain	Residue	Details
A	SER289
B	SER289
C	SER289
D	SER289

---

site_id	SWS_FT_FI5
Number of Residues	4
Details	MOD_RES: Phosphoserine; by autocatalysis => ECO:0000269|PubMed:11230133

Chain	Residue	Details
A	SER308
B	SER308
C	SER308
D	SER308

---