6X9J

Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3830052

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003682	molecular_function	chromatin binding
A	0008168	molecular_function	methyltransferase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	binding site for residue ZN A 1701

Chain	Residue
A	CYS1476
A	CYS1478
A	CYS1485
A	HIS1502

---

site_id	AC2
Number of Residues	4
Details	binding site for residue ZN A 1702

Chain	Residue
A	HIS793
A	CYS820
A	CYS893
A	CYS896

---

site_id	AC3
Number of Residues	6
Details	binding site for residue EDO A 1703

Chain	Residue
A	TRP1395
A	PHE1396
A	GLN1399
A	PRO1583
A	HOH1871
A	GLY1305

---

site_id	AC4
Number of Residues	2
Details	binding site for residue EDO A 1704

Chain	Residue
A	ARG1456
A	GLN1491

---

site_id	AC5
Number of Residues	4
Details	binding site for residue EDO A 1705

Chain	Residue
A	PHE1145
A	GLU1168
A	MET1169
A	HOH2022

---

site_id	AC6
Number of Residues	6
Details	binding site for residue EDO A 1706

Chain	Residue
A	PRO988
A	VAL1333
A	PHE1334
A	PRO1336
A	LEU1357
A	HOH1816

---

site_id	AC7
Number of Residues	3
Details	binding site for residue EDO A 1707

Chain	Residue
A	ARG1368
A	SER1372
A	TRP1519

---

site_id	AC8
Number of Residues	6
Details	binding site for residue EDO A 1708

Chain	Residue
A	SER1372
A	LEU1374
A	TRP1519
A	HIS1541
A	GLU1543
A	GLN1544

---

site_id	AC9
Number of Residues	4
Details	binding site for residue EDO A 1709

Chain	Residue
A	TRP1170
A	ASN1568
A	ASP1571
A	HOH1911

---

site_id	AD1
Number of Residues	4
Details	binding site for residue EDO A 1710

Chain	Residue
A	GLN1057
A	GLU1329
A	THR1355
A	ARG1356

---

site_id	AD2
Number of Residues	6
Details	binding site for residue EDO A 1711

Chain	Residue
A	SER809
A	ASP810
A	GLU813
A	ARG1285
A	ARG1289
A	HOH2041

---

site_id	AD3
Number of Residues	3
Details	binding site for residue EDO A 1712

Chain	Residue
A	ARG1140
A	GLU1218
A	HOH1841

---

site_id	AD4
Number of Residues	2
Details	binding site for residue EDO A 1713

Chain	Residue
A	PHE797
A	HOH1815

---

site_id	AD5
Number of Residues	3
Details	binding site for residue EDO A 1714

Chain	Residue
A	TYR873
A	SER1352
A	ILE1354

---

site_id	AD6
Number of Residues	6
Details	binding site for residue EDO A 1715

Chain	Residue
A	PRO1225
A	CYS1226
A	GLN1227
A	PHE1229
A	SER1246
A	LEU1247

---

site_id	AD7
Number of Residues	4
Details	binding site for residue EDO A 1716

Chain	Residue
A	TYR873
A	LEU1326
A	HOH1852
A	HOH1920

---

site_id	AD8
Number of Residues	3
Details	binding site for residue EDO A 1717

Chain	Residue
A	SER1076
A	HOH1818
A	HOH1966

---

site_id	AD9
Number of Residues	6
Details	binding site for residue EDO A 1718

Chain	Residue
A	GLY1228
A	PHE1229
A	SER1230
A	GLY1231
A	LYS1275
A	HOH1998

---

site_id	AE1
Number of Residues	3
Details	binding site for residue EDO C 4201

Chain	Residue
A	LYS1415
A	ASP1416
C	DA2

---

site_id	AE2
Number of Residues	8
Details	binding site for residue X52 D 101

Chain	Residue
A	SER1230
A	PHE1274
A	LYS1535
C	5CM6
C	DG7
D	PYO18
D	DG19
D	DG20

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	GLU1218-SER1230

---

site_id	PS00095
Number of Residues	19
Details	C5_MTASE_2 C-5 cytosine-specific DNA methylases C-terminal signature. RqvGNAVpPpLakaIgleI

Chain	Residue	Details
A	ARG1574-ILE1592

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	125
Details	Domain: {"description":"BAH 1","evidences":[{"source":"PROSITE-ProRule","id":"PRU00370","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	128
Details	Domain: {"description":"BAH 2","evidences":[{"source":"PROSITE-ProRule","id":"PRU00370","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	460
Details	Domain: {"description":"SAM-dependent MTase C5-type","evidences":[{"source":"PROSITE-ProRule","id":"PRU01016","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Active site: {}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"UniProtKB","id":"P13864","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	3
Details	Binding site: {"evidences":[{"source":"PubMed","id":"21163962","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3PTA","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	1
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"18220336","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	8
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"21947282","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI9
Number of Residues	1
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---