5JT2

BRAFV600E Kinase Domain In Complex with Chemically Linked Vemurafenib Inhibitor VEM-BISAMIDE

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	binding site for residue BEN A 801

Chain	Residue
A	ASP449
A	TRP450
A	GLU451
A	MET517
D	TRP450
D	ARG509
D	MET517

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site_id	AC2
Number of Residues	32
Details	binding site for residue 6NC A 802

Chain	Residue
A	ALA481
A	VAL482
A	LYS483
A	LEU514
A	THR529
A	GLN530
A	TRP531
A	CYS532
A	SER535
A	PHE583
A	GLY593
A	ASP594
A	PHE595
A	GLY596
A	HOH910
B	VAL471
B	ALA481
B	LYS483
B	LEU505
B	LEU514
B	THR529
B	GLN530
B	CYS532
B	SER535
B	HIS539
B	PHE583
B	GLY593
B	ASP594
B	PHE595
B	GLY596
A	GLN461
A	VAL471

---

site_id	AC3
Number of Residues	8
Details	binding site for residue BEN B 801

Chain	Residue
B	TRP450
B	PHE516
B	MET517
B	HOH945
C	ASP449
C	TRP450
C	GLU451
C	MET517

---

site_id	AC4
Number of Residues	34
Details	binding site for residue 6NC C 801

Chain	Residue
C	GLN461
C	ILE463
C	VAL471
C	ALA481
C	LYS483
C	LEU514
C	THR529
C	GLN530
C	TRP531
C	CYS532
C	SER535
C	PHE583
C	GLY593
C	ASP594
C	PHE595
C	GLY596
D	GLN461
D	ILE463
D	VAL471
D	ALA481
D	LYS483
D	LEU505
D	LEU514
D	PHE516
D	THR529
D	GLN530
D	CYS532
D	SER535
D	HIS539
D	PHE583
D	GLY593
D	ASP594
D	PHE595
D	GLY596

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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

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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

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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	ASP576
B	ASP576
C	ASP576
D	ASP576

---

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

Chain	Residue	Details
A	ILE463
A	LYS483
B	ILE463
B	LYS483
C	ILE463
C	LYS483
D	ILE463
D	LYS483

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	MOD_RES: Omega-N-methylarginine; by PRMT5 => ECO:0000269|PubMed:21917714

Chain	Residue	Details
A	ARG671
B	ARG671
C	ARG671
D	ARG671

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site_id	SWS_FT_FI4
Number of Residues	8
Details	CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269|PubMed:23907581

Chain	Residue	Details
A	LYS578
B	LYS578
C	LYS578
D	LYS578

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