6D3K

Crystal structure of unphosphorylated human PKR kinase domain in complex with ADP

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	13
Details	binding site for residue ADP B 601

Chain	Residue
B	GLY279
B	PHE421
B	ASP432
B	PO4602
B	MG603
B	VAL281
B	LYS296
B	MET366
B	GLU367
B	CYS369
B	THR373
B	SER418
B	ASN419

---

site_id	AC2
Number of Residues	4
Details	binding site for residue PO4 B 602

Chain	Residue
B	LYS416
B	SER418
B	ADP601
B	MG603

---

site_id	AC3
Number of Residues	4
Details	binding site for residue MG B 603

Chain	Residue
B	ASN419
B	ASP432
B	ADP601
B	PO4602

---

site_id	AC4
Number of Residues	3
Details	binding site for residue SO4 B 604

Chain	Residue
A	LYS467
A	ASN528
B	LYS371

---

site_id	AC5
Number of Residues	13
Details	binding site for residue ADP A 601

Chain	Residue
A	SER275
A	GLY279
A	VAL281
A	VAL294
A	LYS296
A	GLU367
A	CYS369
A	THR373
A	SER418
A	ASN419
A	PHE421
A	ASP432
A	MG603

---

site_id	AC6
Number of Residues	3
Details	binding site for residue PO4 A 602

Chain	Residue
A	LYS416
A	SER418
A	MG603

---

site_id	AC7
Number of Residues	4
Details	binding site for residue MG A 603

Chain	Residue
A	ASN419
A	ASP432
A	ADP601
A	PO4602

---

site_id	AC8
Number of Residues	3
Details	binding site for residue SO4 A 604

Chain	Residue
A	ARG534
A	LYS541
B	VAL389

---

site_id	AC9
Number of Residues	4
Details	binding site for residue SO4 A 605

Chain	Residue
A	LYS510
A	PRO543
A	GLU544
B	LYS385

---

site_id	AD1
Number of Residues	2
Details	binding site for residue SO4 A 606

Chain	Residue
A	LYS291
A	THR292

---

site_id	AD2
Number of Residues	15
Details	binding site for residue ADP C 601

Chain	Residue
C	GLY276
C	GLY277
C	PHE278
C	GLY279
C	VAL281
C	LYS296
C	MET366
C	GLU367
C	CYS369
C	THR373
C	SER418
C	ASN419
C	PHE421
C	ASP432
C	MG603

---

site_id	AD3
Number of Residues	4
Details	binding site for residue PO4 C 602

Chain	Residue
C	LYS416
C	SER418
C	GLY450
C	THR451

---

site_id	AD4
Number of Residues	3
Details	binding site for residue MG C 603

Chain	Residue
C	ASN419
C	ASP432
C	ADP601

---

site_id	AD5
Number of Residues	3
Details	binding site for residue SO4 C 604

Chain	Residue
A	VAL389
C	ARG534
C	LYS541

---

site_id	AD6
Number of Residues	3
Details	binding site for residue SO4 C 605

Chain	Residue
A	LYS371
C	LYS467
C	ASN528

---

site_id	AD7
Number of Residues	2
Details	binding site for residue SO4 C 606

Chain	Residue
C	LYS291
C	THR292

---

site_id	AD8
Number of Residues	5
Details	binding site for residue PO4 C 607

Chain	Residue
C	ARG413
C	THR446
C	MET455
C	GLN459
C	TYR465

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
B	ILE273-LYS296

---

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

Chain	Residue	Details
B	LEU410-LEU422

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	3
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"},{"source":"PROSITE-ProRule","id":"PRU10027","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	24
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	3
Details	Binding site: {}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	3
Details	Binding site: {"evidences":[{"source":"PubMed","id":"16179258","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"31246429","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	4
Details	Modified residue: {"description":"Phosphothreonine; by autocatalysis","evidences":[{"source":"PubMed","id":"11152499","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	3
Details	Modified residue: {"description":"Phosphotyrosine; by autocatalysis","evidences":[{"source":"PubMed","id":"16373505","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	3
Details	Modified residue: {"description":"Phosphothreonine; by autocatalysis","evidences":[{"source":"PubMed","id":"11337501","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20685959","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	3
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"18669648","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI9
Number of Residues	1
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI10
Number of Residues	1
Details	Modified residue: {"description":"Phosphothreonine; by autocatalysis","evidences":[{"source":"PubMed","id":"11337501","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16179258","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---