5W86

CRYSTAL STRUCTURE OF JAK3 KINASE DOMAIN WITH A 4,6-DIAMINONICOTINAMIDE INHIBITOR (COMPOUND NUMBER 7)

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004672	molecular_function	protein kinase activity
A	0004713	molecular_function	protein tyrosine kinase activity
A	0005524	molecular_function	ATP binding
A	0006468	biological_process	protein phosphorylation
B	0004672	molecular_function	protein kinase activity
B	0004713	molecular_function	protein tyrosine kinase activity
B	0005524	molecular_function	ATP binding
B	0006468	biological_process	protein phosphorylation
C	0004672	molecular_function	protein kinase activity
C	0004713	molecular_function	protein tyrosine kinase activity
C	0005524	molecular_function	ATP binding
C	0006468	biological_process	protein phosphorylation
D	0004672	molecular_function	protein kinase activity
D	0004713	molecular_function	protein tyrosine 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	7
Details	binding site for residue 9YV A 4000

Chain	Residue
A	GLN827
A	LEU828
A	MET902
A	GLU903
A	LEU905
A	ARG953
A	LEU956

---

site_id	AC2
Number of Residues	10
Details	binding site for residue 9YV B 4000

Chain	Residue
B	VAL884
B	MET902
B	GLU903
B	LEU905
B	GLY908
B	CYS909
B	ARG953
B	LEU956
B	LEU828
B	ALA853

---

site_id	AC3
Number of Residues	11
Details	binding site for residue 9YV C 4000

Chain	Residue
C	GLN827
C	LEU828
C	VAL836
C	ALA853
C	VAL884
C	MET902
C	GLU903
C	LEU905
C	GLY908
C	ARG953
C	LEU956

---

site_id	AC4
Number of Residues	9
Details	binding site for residue 9YV D 4000

Chain	Residue
D	GLN827
D	LEU828
D	MET902
D	GLU903
D	LEU905
D	GLY908
D	ARG953
D	LEU956
D	HOH4119

---

Functional Information from PROSITE/UniProt

site_id	PS00107
Number of Residues	28
Details	PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGKGNFGSVElCrydplgdntgal......VAVK

Chain	Residue	Details
A	LEU828-LYS855

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site_id	PS00109
Number of Residues	13
Details	PROTEIN_KINASE_TYR Tyrosine protein kinases specific active-site signature. CVHrDLAARNILV

Chain	Residue	Details
A	CYS945-VAL957

---

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:PRU10028

Chain	Residue	Details
A	ASP949
B	ASP949
C	ASP949
D	ASP949

---

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

Chain	Residue	Details
A	LEU828
A	LYS855
B	LEU828
B	LYS855
C	LEU828
C	LYS855
D	LEU828
D	LYS855

---

site_id	SWS_FT_FI3
Number of Residues	8
Details	MOD_RES: Phosphotyrosine => ECO:0000269|PubMed:18250158

Chain	Residue	Details
A	TYR904
A	TYR939
B	TYR904
B	TYR939
C	TYR904
C	TYR939
D	TYR904
D	TYR939

---

site_id	SWS_FT_FI4
Number of Residues	8
Details	MOD_RES: Phosphotyrosine; by autocatalysis => ECO:0000269|PubMed:15831699

Chain	Residue	Details
A	PTR980
A	PTR981
B	PTR980
B	PTR981
C	PTR980
C	PTR981
D	PTR980
D	PTR981

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