6W8B

Structure of DNMT3A in complex with CGA DNA

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0008168	molecular_function	methyltransferase activity
D	0008168	molecular_function	methyltransferase activity
H	0008168	molecular_function	methyltransferase activity
K	0008168	molecular_function	methyltransferase activity

Functional Information from PDB Data

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

Chain	Residue
A	PHE640
A	VAL687
A	GLY707
A	PRO709
A	LEU730
A	ARG891
A	SER892
A	TRP893
A	HOH1104
A	HOH1152
A	HOH1157
A	ASP641
A	HOH1163
A	GLY642
A	ILE643
A	THR645
A	SER663
A	GLU664
A	VAL665
A	ASP686

---

site_id	AC2
Number of Residues	21
Details	binding site for residue SAH D 1001

Chain	Residue
D	PHE640
D	ASP641
D	GLY642
D	ILE643
D	THR645
D	SER663
D	GLU664
D	VAL665
D	CYS666
D	ASP686
D	VAL687
D	ARG688
D	GLY707
D	PRO709
D	LEU730
D	ARG891
D	SER892
D	TRP893
D	HOH1110
D	HOH1121
D	HOH1153

---

site_id	AC3
Number of Residues	20
Details	binding site for residue SAH H 1001

Chain	Residue
H	PHE640
H	ASP641
H	GLY642
H	ILE643
H	THR645
H	SER663
H	GLU664
H	VAL665
H	CYS666
H	ASP686
H	VAL687
H	GLY707
H	LEU730
H	ARG891
H	SER892
H	TRP893
H	HOH1103
H	HOH1145
H	HOH1146
H	HOH1164

---

site_id	AC4
Number of Residues	21
Details	binding site for residue SAH K 1001

Chain	Residue
K	PHE640
K	ASP641
K	GLY642
K	ILE643
K	THR645
K	SER663
K	GLU664
K	VAL665
K	CYS666
K	ASP686
K	VAL687
K	GLY707
K	PRO709
K	LEU730
K	ARG891
K	SER892
K	TRP893
K	HOH1107
K	HOH1118
K	HOH1121
K	HOH1128

---

site_id	AC5
Number of Residues	21
Details	binding site for Di-nucleotide DG E 426 and PYO E 427

Chain	Residue
E	HOH501
F	DG442
F	DC443
F	DA444
D	SER708
D	CYS710
D	SER714
D	ILE715
D	VAL716
D	GLU756
D	VAL758
D	ARG790
D	ARG792
D	ARG831
D	THR832
D	THR834
D	THR835
D	GLY890
D	ARG891
E	DT425
E	DG428

---

site_id	AC6
Number of Residues	18
Details	binding site for Di-peptide PYO E 427 and CYS D 710

Chain	Residue
D	SER708
D	PRO709
D	ASN711
D	ASP712
D	LEU713
D	SER714
D	GLU756
D	ASN757
D	VAL758
D	ARG790
D	ARG792
D	THR834
D	THR835
D	GLY890
D	ARG891
E	DG426
E	DG428
E	HOH501

---

site_id	AC7
Number of Residues	22
Details	binding site for Di-nucleotide PYO E 427 and DG E 428

Chain	Residue
D	SER708
D	CYS710
D	ASN711
D	SER714
D	VAL716
D	ASN717
D	GLU756
D	VAL758
D	ARG790
D	ARG792
D	THR834
D	THR835
D	ASN838
D	GLY890
D	ARG891
D	HOH1109
E	DG426
E	DA429
E	HOH501
E	HOH502
F	DC441
F	DG442

---

site_id	AC8
Number of Residues	23
Details	binding site for Di-nucleotide DG F 426 and PYO F 427

Chain	Residue
A	SER708
A	CYS710
A	SER714
A	ILE715
A	VAL716
A	GLU756
A	VAL758
A	ARG790
A	ARG792
A	ARG831
A	THR832
A	THR834
A	THR835
A	GLY890
A	ARG891
A	HOH1163
E	DG442
E	DC443
E	DA444
F	DT425
F	DG428
F	HOH502
F	HOH503

---

site_id	AC9
Number of Residues	24
Details	binding site for Di-nucleotide PYO F 427 and DG F 428

Chain	Residue
A	SER708
A	CYS710
A	ASN711
A	SER714
A	VAL716
A	ASN717
A	PRO718
A	GLU756
A	VAL758
A	ARG790
A	ARG792
A	THR834
A	THR835
A	ARG836
A	ASN838
A	GLY890
A	ARG891
A	HOH1163
E	DC441
E	DG442
F	DG426
F	DA429
F	HOH501
F	HOH502

---

site_id	AD1
Number of Residues	21
Details	binding site for Di-nucleotide DG L 426 and PYO L 427

Chain	Residue
K	SER708
K	CYS710
K	SER714
K	ILE715
K	GLU756
K	VAL758
K	ARG790
K	ARG792
K	ARG831
K	THR832
K	THR834
K	THR835
K	GLY890
K	ARG891
L	DT425
L	DG428
L	HOH501
L	HOH503
M	DG442
M	DC443
M	DA444

---

site_id	AD2
Number of Residues	18
Details	binding site for Di-peptide PYO L 427 and CYS K 710

Chain	Residue
K	SER708
K	PRO709
K	ASN711
K	ASP712
K	LEU713
K	SER714
K	GLU756
K	ASN757
K	VAL758
K	ARG790
K	ARG792
K	THR834
K	THR835
K	GLY890
K	ARG891
L	DG426
L	DG428
L	HOH501

---

site_id	AD3
Number of Residues	21
Details	binding site for Di-nucleotide PYO L 427 and DG L 428

Chain	Residue
K	SER708
K	CYS710
K	ASN711
K	SER714
K	VAL716
K	ASN717
K	GLU756
K	VAL758
K	ARG790
K	ARG792
K	THR834
K	THR835
K	ASN838
K	GLY890
K	ARG891
L	DG426
L	DA429
L	HOH501
L	HOH502
M	DC441
M	DG442

---

site_id	AD4
Number of Residues	21
Details	binding site for Di-nucleotide DG M 426 and PYO M 427

Chain	Residue
H	SER708
H	CYS710
H	SER714
H	ILE715
H	VAL716
H	GLU756
H	VAL758
H	ARG790
H	ARG792
H	ARG831
H	THR832
H	THR834
H	THR835
H	GLY890
H	ARG891
H	HOH1164
L	DG442
L	DC443
L	DA444
M	DT425
M	DG428

---

site_id	AD5
Number of Residues	23
Details	binding site for Di-nucleotide PYO M 427 and DG M 428

Chain	Residue
H	SER708
H	CYS710
H	ASN711
H	SER714
H	VAL716
H	ASN717
H	PRO718
H	GLU756
H	VAL758
H	ARG790
H	ARG792
H	THR834
H	THR835
H	ARG836
H	ASN838
H	GLY890
H	ARG891
H	HOH1164
L	DC441
L	DG442
M	DG426
M	DA429
M	HOH501

---

site_id	AD6
Number of Residues	18
Details	binding site for Di-peptide PYO M 427 and CYS H 710

Chain	Residue
H	SER708
H	PRO709
H	ASN711
H	ASP712
H	LEU713
H	SER714
H	GLU756
H	ASN757
H	VAL758
H	ARG790
H	ARG792
H	THR834
H	THR835
H	GLY890
H	ARG891
H	HOH1164
M	DG426
M	DG428

---

Functional Information from PROSITE/UniProt

site_id	PS00094
Number of Residues	13
Details	C5_MTASE_1 C-5 cytosine-specific DNA methylases active site. DlVigGsPCnDLS

Chain	Residue	Details
A	ASP702-SER714

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU01016, ECO:0000255|PROSITE-ProRule:PRU10018

Chain	Residue	Details
A	CYS710
D	CYS710
H	CYS710
K	CYS710

---

site_id	SWS_FT_FI2
Number of Residues	16
Details	BINDING: BINDING => ECO:0000269|PubMed:17713477, ECO:0007744|PDB:2QRV

Chain	Residue	Details
A	ASP641
H	GLU664
H	ASP686
H	ARG891
K	ASP641
K	GLU664
K	ASP686
K	ARG891
A	GLU664
A	ASP686
A	ARG891
D	ASP641
D	GLU664
D	ASP686
D	ARG891
H	ASP641

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	MOD_RES: S-methylcysteine; by autocatalysis => ECO:0000250|UniProtKB:O88508

Chain	Residue	Details
A	CYS710
D	CYS710
H	CYS710
K	CYS710

---