3R0T

Crystal structure of human protein kinase CK2 alpha subunit in complex with the inhibitor CX-5279

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004672	molecular_function	protein kinase activity
A	0004674	molecular_function	protein serine/threonine kinase activity
A	0005524	molecular_function	ATP binding
A	0006468	biological_process	protein phosphorylation

Functional Information from PDB Data

site_id	AC1
Number of Residues	20
Details	BINDING SITE FOR RESIDUE FU9 A 338

Chain	Residue
A	LEU45
A	VAL116
A	ASN118
A	MET163
A	ILE174
A	ASP175
A	EDO345
A	EDO351
A	HOH370
A	HOH381
A	HOH616
A	GLY46
A	HOH636
A	ARG47
A	VAL53
A	VAL66
A	LYS68
A	PHE113
A	GLU114
A	HIS115

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 339

Chain	Residue
A	ARG80
A	ARG155
A	ASN189
A	VAL192
A	HOH369
A	HOH677

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 340

Chain	Residue
A	ARG191
A	LYS198
A	ASN238
A	PEG343

---

site_id	AC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 A 341

Chain	Residue
A	ASP253
A	ARG278
A	ARG306
A	TYR307
A	ASP308
A	HOH397
A	HOH442
A	HOH465

---

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 342

Chain	Residue
A	LYS170
A	ARG172
A	HOH428
A	HOH463
A	HOH649

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PEG A 343

Chain	Residue
A	SER194
A	ARG195
A	TYR196
A	SO4340
A	HOH433
A	HOH619

---

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 344

Chain	Residue
A	GLN36
A	TYR39
A	VAL101
A	ASP103
A	PRO104
A	ARG280

---

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 345

Chain	Residue
A	ASN118
A	ASP120
A	HIS160
A	FU9338
A	EDO348
A	EDO351

---

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 346

Chain	Residue
A	ASP37
A	PRO295
A	HIS321
A	HOH620

---

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 347

Chain	Residue
A	PHE232
A	HOH372
A	HOH573
A	HOH621
A	HOH668

---

site_id	BC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE EDO A 348

Chain	Residue
A	ASN118
A	THR119
A	ASP120
A	PHE121
A	PRO159
A	VAL162
A	MET163
A	ILE164
A	EDO345

---

site_id	BC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 349

Chain	Residue
A	LYS158
A	HIS160
A	SER194
A	EDO350
A	HOH618
A	HOH619

---

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 350

Chain	Residue
A	PRO159
A	PHE197
A	GLU230
A	EDO349
A	HOH618

---

site_id	BC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 351

Chain	Residue
A	ASN118
A	FU9338
A	EDO345
A	HOH455
A	HOH575

---

site_id	BC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 352

Chain	Residue
A	HOH531
A	HOH642
A	HOH679
A	PRO104
A	ARG278
A	LYS279
A	ASP302

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	LEU45-LYS68

---

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

Chain	Residue	Details
A	ILE152-ILE164

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	285
Details	Domain: {"description":"Protein kinase","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	5
Details	Region: {"description":"Interaction with beta subunit","evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	Active site: {"description":"Proton acceptor"}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	9
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---