4IDV

Crystal Structure of NIK with compound 4-{3-[2-amino-5-(2-methoxyethoxy)pyrimidin-4-yl]-1H-indol-5-yl}-2-methylbut-3-yn-2-ol (13V)

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
B	0004672	molecular_function	protein kinase activity
B	0004674	molecular_function	protein serine/threonine kinase activity
B	0005524	molecular_function	ATP binding
B	0006468	biological_process	protein phosphorylation
C	0004672	molecular_function	protein kinase activity
C	0004674	molecular_function	protein serine/threonine kinase activity
C	0005524	molecular_function	ATP binding
C	0006468	biological_process	protein phosphorylation
D	0004672	molecular_function	protein kinase activity
D	0004674	molecular_function	protein serine/threonine 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	14
Details	BINDING SITE FOR RESIDUE 13V A 701

Chain	Residue
A	ARG408
A	SER476
A	GLN479
A	LEU522
A	ASP534
A	PHE535
A	GLY409
A	VAL414
A	GLU440
A	ILE467
A	MET469
A	GLU470
A	LEU472
A	GLY475

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site_id	AC2
Number of Residues	16
Details	BINDING SITE FOR RESIDUE 13V B 701

Chain	Residue
B	ARG408
B	GLY409
B	VAL414
B	ALA427
B	GLU440
B	VAL453
B	ILE467
B	MET469
B	GLU470
B	LEU471
B	LEU472
B	SER476
B	GLN479
B	LEU522
B	ASP534
B	PHE535

---

site_id	AC3
Number of Residues	13
Details	BINDING SITE FOR RESIDUE 13V C 701

Chain	Residue
C	ARG408
C	GLY409
C	GLU440
C	ILE467
C	MET469
C	GLU470
C	LEU471
C	LEU472
C	SER476
C	GLN479
C	LEU522
C	ASP534
C	PHE535

---

site_id	AC4
Number of Residues	15
Details	BINDING SITE FOR RESIDUE 13V D 701

Chain	Residue
D	ARG408
D	GLY409
D	VAL414
D	GLU440
D	ILE467
D	MET469
D	GLU470
D	LEU471
D	LEU472
D	SER476
D	GLN479
D	LEU522
D	CYS533
D	ASP534
D	PHE535

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	LEU406-LYS430

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

Chain	Residue	Details
A	ILE511-LEU523

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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
A	ASP515
B	ASP515
C	ASP515
D	ASP515

---

site_id	SWS_FT_FI2
Number of Residues	8
Details	BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159

Chain	Residue	Details
A	LEU406
A	LYS429
B	LEU406
B	LYS429
C	LEU406
C	LYS429
D	LEU406
D	LYS429

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site_id	SWS_FT_FI3
Number of Residues	4
Details	MOD_RES: Phosphothreonine => ECO:0000269|PubMed:20682767

Chain	Residue	Details
A	THR559
B	THR559
C	THR559
D	THR559

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