2X7F

Crystal structure of the kinase domain of human Traf2- and Nck- interacting Kinase with Wee1Chk1 inhibitor

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	11
Details	BINDING SITE FOR RESIDUE 824 A 500

Chain	Residue
A	VAL31
A	LEU160
A	VAL170
A	TYR36
A	VAL39
A	ALA52
A	LYS54
A	MET105
A	GLU106
A	CYS108
A	GLY111

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA A 1315

Chain	Residue
A	SER77
A	HIS79
A	ILE82
A	THR84

---

site_id	AC3
Number of Residues	11
Details	BINDING SITE FOR RESIDUE 824 B 500

Chain	Residue
B	VAL31
B	TYR36
B	VAL39
B	ALA52
B	LYS54
B	MET105
B	GLU106
B	CYS108
B	GLY111
B	LEU160
B	VAL170

---

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA B 1315

Chain	Residue
B	SER77
B	HIS79
B	ILE82
B	THR84
B	HOH2008

---

site_id	AC5
Number of Residues	11
Details	BINDING SITE FOR RESIDUE 824 C 500

Chain	Residue
C	VAL31
C	TYR36
C	VAL39
C	ALA52
C	GLU69
C	MET105
C	GLU106
C	CYS108
C	GLY111
C	LEU160
C	VAL170

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA C 1315

Chain	Residue
C	SER77
C	HIS79
C	ILE82
C	THR84
C	GLU106
C	LYS168

---

site_id	AC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE 824 D 500

Chain	Residue
D	VAL39
D	ALA52
D	MET105
D	GLU106
D	CYS108
D	GLY111
D	LEU160
D	VAL170

---

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA D 1308

Chain	Residue
D	SER77
D	HIS79
D	ILE82
D	THR84

---

site_id	AC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE 824 E 500

Chain	Residue
E	VAL31
E	ALA52
E	MET105
E	GLU106
E	CYS108
E	GLY111
E	LEU160
E	VAL170

---

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA E 1311

Chain	Residue
E	SER77
E	HIS79
E	ILE82
E	THR84

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	VAL31-LYS54

---

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

Chain	Residue	Details
A	VAL149-LEU161

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	76
Details	Compositional bias: {"description":"Basic and acidic residues","evidences":[{"source":"SAM","id":"MobiDB-lite","evidenceCode":"ECO:0000256"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	5
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	29
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---