6P3D

The co-crystal structure of BRAF(V600E) with ponatinib

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	20
Details	binding site for residue 0LI A 1001

Chain	Residue
A	VAL471
A	GLN530
A	TRP531
A	CYS532
A	ILE572
A	ILE573
A	HIS574
A	PHE583
A	ILE592
A	GLY593
A	ASP594
A	ALA481
A	PHE595
A	LYS483
A	GLU501
A	LEU505
A	ILE513
A	LEU514
A	ILE527
A	THR529

---

site_id	AC2
Number of Residues	4
Details	binding site for residue SO4 A 1002

Chain	Residue
A	PRO705
A	SER706
A	ARG709
A	HOH1159

---

site_id	AC3
Number of Residues	3
Details	binding site for residue SO4 A 1003

Chain	Residue
A	PRO686
A	LYS687
A	ARG688

---

site_id	AC4
Number of Residues	3
Details	binding site for residue SO4 A 1004

Chain	Residue
A	LYS698
A	LYS699
A	HOH1103

---

site_id	AC5
Number of Residues	3
Details	binding site for residue SO4 A 1005

Chain	Residue
A	ARG462
A	GLY464
A	SER465

---

site_id	AC6
Number of Residues	4
Details	binding site for residue SO4 A 1006

Chain	Residue
A	ARG462
A	SER465
A	THR470
A	ASN486

---

site_id	AC7
Number of Residues	5
Details	binding site for residue SO4 A 1007

Chain	Residue
A	GLU549
A	MET550
A	ARG682
A	ASN684
A	HOH1138

---

site_id	AC8
Number of Residues	9
Details	binding site for residue SO4 A 1008

Chain	Residue
A	VAL511
A	GLN530
A	HIS585
A	THR589
A	LYS591
A	LYS591
A	HOH1101
A	HOH1101
A	HOH1172

---

site_id	AC9
Number of Residues	8
Details	binding site for residue SO4 A 1009

Chain	Residue
A	TRP450
A	TRP450
A	ARG506
A	ARG506
A	HOH1104
A	HOH1104
A	HOH1106
A	HOH1106

---

site_id	AD1
Number of Residues	5
Details	binding site for residue NH4 A 1010

Chain	Residue
A	GLY534
A	SER535
A	HIS540
A	LEU584
A	ASP587

---

site_id	AD2
Number of Residues	4
Details	binding site for residue EDO A 1011

Chain	Residue
A	HIS542
A	GLY652
A	GLN653
A	LEU654

---

site_id	AD3
Number of Residues	5
Details	binding site for residue EDO A 1012

Chain	Residue
A	ASP565
A	PRO708
A	LEU711
A	ALA712
A	HOH1147

---

Functional Information from PROSITE/UniProt

site_id	PS00107
Number of Residues	21
Details	PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. IGSGSFGTVYkGkwhgd.............VAVK

Chain	Residue	Details
A	ILE463-LYS483

---

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

Chain	Residue	Details
A	ILE572-LEU584

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
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_FI2
Number of Residues	9
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"18669648","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"18669648","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Modified residue: {"description":"Omega-N-methylarginine; by PRMT5","evidences":[{"source":"PubMed","id":"21917714","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	2
Details	Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin)","evidences":[{"source":"PubMed","id":"23907581","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---