6I5L

Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound VN316 (derivative of compound 12h)

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	7
Details	binding site for residue PO4 A 501

Chain	Residue
A	HIS335
A	HIS336
A	SER337
A	THR338
C	HIS335
C	SER337
C	THR338

---

site_id	AC2
Number of Residues	7
Details	binding site for residue PO4 A 502

Chain	Residue
A	CYS151
A	GLU169
A	LYS174
A	HOH610
B	HIS414
A	MET0
A	HIS148

---

site_id	AC3
Number of Residues	8
Details	binding site for residue H3Q A 503

Chain	Residue
A	LEU167
A	GLY168
A	ALA189
A	LYS191
A	GLU242
A	LEU244
A	ASP250
A	LEU295

---

site_id	AC4
Number of Residues	3
Details	binding site for residue GOL A 504

Chain	Residue
A	VAL156
A	ALA159
A	SER483

---

site_id	AC5
Number of Residues	3
Details	binding site for residue GOL A 505

Chain	Residue
A	LYS191
A	GLU206
A	ASP325

---

site_id	AC6
Number of Residues	2
Details	binding site for residue PO4 B 501

Chain	Residue
B	GLU169
B	LYS174

---

site_id	AC7
Number of Residues	9
Details	binding site for residue H3Q B 502

Chain	Residue
B	LEU167
B	GLY168
B	GLU169
B	PHE172
B	ALA189
B	LYS191
B	GLU242
B	LEU244
B	LEU295

---

site_id	AC8
Number of Residues	4
Details	binding site for residue GOL B 503

Chain	Residue
B	LYS191
B	ALA202
B	GLU206
B	ASP325

---

site_id	AC9
Number of Residues	3
Details	binding site for residue PO4 C 501

Chain	Residue
C	GLU169
C	LYS174
C	HOH627

---

site_id	AD1
Number of Residues	6
Details	binding site for residue H3Q C 502

Chain	Residue
C	LEU167
C	ALA189
C	LYS191
C	GLU242
C	LEU244
C	LEU295

---

site_id	AD2
Number of Residues	7
Details	binding site for residue GOL C 503

Chain	Residue
C	PHE172
C	LYS191
C	ALA202
C	ALA203
C	GLU206
C	ASP325
C	GLY327

---

site_id	AD3
Number of Residues	1
Details	binding site for residue GOL C 504

Chain	Residue
B	HOH622

---

site_id	AD4
Number of Residues	4
Details	binding site for residue GOL C 505

Chain	Residue
C	ASP383
C	SER384
C	LYS410
C	TYR411

---

Functional Information from PROSITE/UniProt

site_id	PS00107
Number of Residues	25
Details	PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGEGAFGKVVeCidhkaggrh.........VAVK

Chain	Residue	Details
A	LEU167-LYS191

---

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

Chain	Residue	Details
A	LEU284-PHE296

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	948
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	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_FI3
Number of Residues	27
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---