1PEG

Structural basis for the product specificity of histone lysine methyltransferases

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003690	molecular_function	double-stranded DNA binding
A	0005515	molecular_function	protein binding
A	0005634	cellular_component	nucleus
A	0005694	cellular_component	chromosome
A	0006338	biological_process	chromatin remodeling
A	0008168	molecular_function	methyltransferase activity
A	0008270	molecular_function	zinc ion binding
A	0016740	molecular_function	transferase activity
A	0032259	biological_process	methylation
A	0042054	molecular_function	histone methyltransferase activity
A	0046872	molecular_function	metal ion binding
A	0140949	molecular_function	histone H3K9 trimethyltransferase activity
B	0003690	molecular_function	double-stranded DNA binding
B	0005515	molecular_function	protein binding
B	0005634	cellular_component	nucleus
B	0005694	cellular_component	chromosome
B	0006338	biological_process	chromatin remodeling
B	0008168	molecular_function	methyltransferase activity
B	0008270	molecular_function	zinc ion binding
B	0016740	molecular_function	transferase activity
B	0032259	biological_process	methylation
B	0042054	molecular_function	histone methyltransferase activity
B	0046872	molecular_function	metal ion binding
B	0140949	molecular_function	histone H3K9 trimethyltransferase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 1

Chain	Residue
A	CYS66
A	CYS81
A	CYS128
A	CYS132

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 2

Chain	Residue
A	CYS74
A	CYS128
A	CYS134
A	CYS138

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 3

Chain	Residue
A	CYS68
A	CYS74
A	CYS79
A	CYS66

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 4

Chain	Residue
A	CYS244
A	CYS306
A	CYS308
A	CYS313

---

site_id	AC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE ZN B 5

Chain	Residue
B	ZN6
B	CYS132

---

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 6

Chain	Residue
B	ZN5
B	ZN7
B	CYS134
B	CYS138

---

site_id	AC7
Number of Residues	1
Details	BINDING SITE FOR RESIDUE ZN B 7

Chain	Residue
B	ZN6

---

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 8

Chain	Residue
B	CYS244
B	CYS306
B	CYS308
B	CYS313

---

site_id	AC9
Number of Residues	12
Details	BINDING SITE FOR RESIDUE SAH A 319

Chain	Residue
A	ARG159
A	TRP161
A	ASP202
A	VAL203
A	TYR204
A	ARG238
A	ASN241
A	HIS242
A	TYR283
A	CYS306
A	LEU307
A	LEU317

---

site_id	BC1
Number of Residues	15
Details	BINDING SITE FOR RESIDUE SAH B 2

Chain	Residue
B	ARG159
B	TRP161
B	LYS201
B	ASP202
B	VAL203
B	TYR204
B	ARG238
B	ASN241
B	HIS242
B	TYR283
B	LYS305
B	CYS306
B	LEU307
B	LEU317
Q	LYS9

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	18
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12372305","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12887903","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1ML9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1PEG","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	20
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12887903","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1PEG","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	Site: {"description":"Interacts with H3S10","evidences":[{"source":"PubMed","id":"18215768","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	Site: {"description":"Interacts with H3R8","evidences":[{"source":"PubMed","id":"18215768","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	Modified residue: {"description":"N6-methyllysine; alternate","evidences":[{"source":"PubMed","id":"11242053","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16185088","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16267050","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16457588","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17194708","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	2
Details	Modified residue: {"description":"Phosphoserine; alternate; by AURKB, AURKC, RPS6KA3, RPS6KA4 and RPS6KA5","evidences":[{"source":"PubMed","id":"10464286","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11856369","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12560483","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15681610","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16185088","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16457588","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	2
Details	Modified residue: {"description":"Symmetric dimethylarginine; by PRMT5; alternate","evidences":[{"source":"UniProtKB","id":"P68433","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	2
Details	Modified residue: {"description":"Phosphothreonine; by PKC and CHEK1","evidences":[{"source":"PubMed","id":"12560483","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18066052","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18243098","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22901803","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details

Chain	Residue	Details
A	TYR283
A	TYR178

---

site_id	CSA2
Number of Residues	2
Details

Chain	Residue	Details
B	TYR283
B	TYR178

---

site_id	MCSA1
Number of Residues	2
Details	M-CSA 691

Chain	Residue	Details
A	TYR178	activator, electrostatic stabiliser, proton acceptor, proton donor
A	TYR283	electrostatic stabiliser

---

site_id	MCSA2
Number of Residues	2
Details	M-CSA 691

Chain

Residue

Details

---