3G0F

KIT kinase domain mutant D816H in complex with sunitinib

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	0004714	molecular_function	transmembrane receptor protein tyrosine kinase activity
A	0005524	molecular_function	ATP binding
A	0006468	biological_process	protein phosphorylation
A	0007169	biological_process	cell surface receptor protein tyrosine kinase signaling pathway
B	0004672	molecular_function	protein kinase activity
B	0004713	molecular_function	protein tyrosine kinase activity
B	0004714	molecular_function	transmembrane receptor protein tyrosine kinase activity
B	0005524	molecular_function	ATP binding
B	0006468	biological_process	protein phosphorylation
B	0007169	biological_process	cell surface receptor protein tyrosine kinase signaling pathway

Functional Information from PDB Data

site_id	AC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE B49 A9001

Chain	Residue
A	VAL603
A	ALA621
A	THR670
A	GLU671
A	TYR672
A	CYS673
A	CYS674
A	LEU799
A	CYS809

---

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 1

Chain	Residue
A	HIS630
A	LEU631
A	ARG634
B	LYS826
B	GLY827

---

site_id	AC3
Number of Residues	12
Details	BINDING SITE FOR RESIDUE B49 B9001

Chain	Residue
B	LEU595
B	VAL603
B	ALA621
B	THR670
B	GLU671
B	TYR672
B	CYS673
B	GLY676
B	LEU799
B	CYS809
B	ASP810
B	PHE811

---

Functional Information from PROSITE/UniProt

site_id	PS00107
Number of Residues	29
Details	PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGAGAFGKVVeAtaygliksdaamt.....VAVK

Chain	Residue	Details
A	LEU595-LYS623

---

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

Chain	Residue	Details
A	CYS788-LEU800

---

site_id	PS00240
Number of Residues	14
Details	RECEPTOR_TYR_KIN_III Receptor tyrosine kinase class III signature. GnHmNIVNLLGACT

Chain	Residue	Details
A	GLY648-THR661

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	ACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10028

Chain	Residue	Details
A	ASP792
B	ASP792

---

site_id	SWS_FT_FI2
Number of Residues	14
Details	BINDING:

Chain	Residue	Details
A	TYR568
B	LYS623
B	GLU671
B	ARG796
B	ASN797
B	ASP810
A	GLY596
A	LYS623
A	GLU671
A	ARG796
A	ASN797
A	ASP810
B	TYR568
B	GLY596

---

site_id	SWS_FT_FI3
Number of Residues	6
Details	MOD_RES: Phosphotyrosine; by autocatalysis => ECO:0000305|PubMed:20147452

Chain	Residue	Details
A	TYR547
A	TYR553
A	CYS788
B	TYR547
B	TYR553
B	CYS788

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	MOD_RES: Phosphotyrosine; by autocatalysis => ECO:0000269|PubMed:12824176, ECO:0000269|PubMed:19265199, ECO:0000269|PubMed:21030588, ECO:0000269|PubMed:9038210

Chain	Residue	Details
A	TYR568
B	TYR568

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	MOD_RES: Phosphotyrosine; by autocatalysis => ECO:0000269|PubMed:12824176, ECO:0000269|PubMed:9038210

Chain	Residue	Details
A	TYR570
B	TYR570

---

site_id	SWS_FT_FI6
Number of Residues	2
Details	MOD_RES: Phosphotyrosine; by autocatalysis => ECO:0000269|PubMed:10377264, ECO:0000269|PubMed:19265199, ECO:0000269|PubMed:20147452

Chain	Residue	Details
A	GLU761
B	GLU761

---

site_id	SWS_FT_FI7
Number of Residues	2
Details	MOD_RES: Phosphotyrosine; by autocatalysis => ECO:0000269|PubMed:19265199, ECO:0000269|PubMed:20147452, ECO:0000269|PubMed:9038210

Chain	Residue	Details
A	GLY779
B	GLY779

---

site_id	SWS_FT_FI8
Number of Residues	4
Details	MOD_RES: Phosphoserine; by PKC/PRKCA => ECO:0000269|PubMed:7539802

Chain	Residue	Details
A	LEU799
A	ARG804
B	LEU799
B	ARG804

---

site_id	SWS_FT_FI9
Number of Residues	2
Details	MOD_RES: Phosphoserine => ECO:0000269|PubMed:7539802

Chain	Residue	Details
A	SER821
B	SER821

---

site_id	SWS_FT_FI10
Number of Residues	2
Details	MOD_RES: Phosphotyrosine; by autocatalysis => ECO:0000269|PubMed:20147452

Chain	Residue	Details
A	TYR823
B	TYR823

---

site_id	SWS_FT_FI11
Number of Residues	2
Details	MOD_RES: Phosphoserine => ECO:0000269|PubMed:12878163

Chain	Residue	Details
A	SER891
B	SER891

---

site_id	SWS_FT_FI12
Number of Residues	2
Details	MOD_RES: Phosphotyrosine; by autocatalysis => ECO:0000269|PubMed:12878163, ECO:0000269|PubMed:20147452

Chain	Residue	Details
A	TYR900
B	TYR900

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 1ir3

Chain	Residue	Details
A	ASP792
A	ARG796

---

site_id	CSA2
Number of Residues	2
Details	Annotated By Reference To The Literature 1ir3

Chain	Residue	Details
B	ASP792
B	ARG796

---

site_id	CSA3
Number of Residues	2
Details	Annotated By Reference To The Literature 1ir3

Chain	Residue	Details
A	ASP792
A	ALA794

---

site_id	CSA4
Number of Residues	2
Details	Annotated By Reference To The Literature 1ir3

Chain	Residue	Details
B	ASP792
B	ALA794

---

site_id	CSA5
Number of Residues	3
Details	Annotated By Reference To The Literature 1ir3

Chain	Residue	Details
A	ASN797
A	ASP792
A	ALA794

---

site_id	CSA6
Number of Residues	3
Details	Annotated By Reference To The Literature 1ir3

Chain	Residue	Details
B	ASN797
B	ASP792
B	ALA794

---