6MXX

Structure of 53BP1 tandem Tudor domains in complex with small molecule UNC2991

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	binding site for residue PO4 A 1701

Chain	Residue
A	ARG1562
A	GLU1564
A	TYR1569
A	TRP1580

---

site_id	AC2
Number of Residues	11
Details	binding site for residue K6P B 1701

Chain	Residue
B	TRP1495
B	TYR1502
B	ASP1520
B	ASP1521
B	TYR1523
B	MET1584
A	TRP1495
A	TYR1502
A	ASP1521
A	TYR1523
A	MET1584

---

site_id	AC3
Number of Residues	2
Details	binding site for residue FMT B 1702

Chain	Residue
B	GLN1599
B	GLY1601

---

site_id	AC4
Number of Residues	9
Details	binding site for residue PO4 B 1703

Chain	Residue
B	THR1507
B	LYS1516
B	GLU1524
B	HOH1801
B	HOH1815
D	THR1507
D	ARG1508
D	LYS1516
D	GLU1524

---

site_id	AC5
Number of Residues	3
Details	binding site for residue PO4 B 1704

Chain	Residue
B	ARG1562
B	TYR1569
B	TRP1580

---

site_id	AC6
Number of Residues	9
Details	binding site for residue K6P C 1701

Chain	Residue
C	TRP1495
C	TYR1502
C	ASP1521
C	TYR1523
C	MET1584
D	TRP1495
D	ASP1521
D	TYR1523
D	MET1584

---

site_id	AC7
Number of Residues	4
Details	binding site for residue PO4 C 1702

Chain	Residue
C	GLU1567
C	LYS1582
D	TRP1580
D	TYR1581

---

site_id	AC8
Number of Residues	4
Details	binding site for residue PO4 C 1703

Chain	Residue
C	GLU1564
C	TYR1569
C	TRP1580
C	HOH1819

---

site_id	AC9
Number of Residues	6
Details	binding site for residue PO4 D 1701

Chain	Residue
B	ARG1508
B	HOH1828
D	LYS1505
D	LEU1518
D	HOH1838
D	HOH1844

---

site_id	AD1
Number of Residues	5
Details	binding site for residue PO4 D 1702

Chain	Residue
C	TRP1580
C	TYR1581
D	GLU1567
D	TYR1569
D	LYS1582

---

site_id	AD2
Number of Residues	5
Details	binding site for residue PO4 D 1703

Chain	Residue
B	GLU1524
D	ARG1508
D	VAL1510
D	LYS1516
D	ASP1526

---

site_id	AD3
Number of Residues	4
Details	binding site for residue PO4 D 1704

Chain	Residue
D	ARG1562
D	GLU1564
D	TYR1569
D	TRP1580

---

site_id	AD4
Number of Residues	11
Details	binding site for residue K6P E 1701

Chain	Residue
E	TRP1495
E	PHE1519
E	ASP1521
E	TYR1523
E	MET1584
F	TRP1495
F	TYR1502
F	PHE1519
F	ASP1521
F	TYR1523
F	MET1584

---

site_id	AD5
Number of Residues	6
Details	binding site for residue PO4 E 1702

Chain	Residue
E	LYS1579
E	TRP1580
E	TYR1581
E	HOH1827
F	GLU1567
F	TYR1569

---

site_id	AD6
Number of Residues	4
Details	binding site for residue PO4 E 1703

Chain	Residue
E	ARG1562
E	GLU1564
E	TYR1569
E	TRP1580

---

site_id	AD7
Number of Residues	4
Details	binding site for residue PO4 F 1701

Chain	Residue
E	GLU1567
E	LYS1582
F	TRP1580
F	TYR1581

---

site_id	AD8
Number of Residues	3
Details	binding site for residue PO4 F 1702

Chain	Residue
F	ARG1562
F	TYR1569
F	TRP1580

---

site_id	AD9
Number of Residues	8
Details	binding site for residue K6P G 1701

Chain	Residue
H	ASP1521
H	TYR1523
H	MET1584
G	TRP1495
G	ASP1521
G	TYR1523
G	MET1584
H	TRP1495

---

site_id	AE1
Number of Residues	3
Details	binding site for residue PO4 G 1702

Chain	Residue
G	ARG1562
G	TYR1569
G	TRP1580

---

site_id	AE2
Number of Residues	4
Details	binding site for residue PO4 G 1703

Chain	Residue
G	GLU1567
G	LYS1582
H	TRP1580
H	TYR1581

---

site_id	AE3
Number of Residues	5
Details	binding site for residue FMT H 1701

Chain	Residue
F	LYS1516
F	GLU1524
H	ARG1508
H	LYS1516
H	GLU1524

---

site_id	AE4
Number of Residues	4
Details	binding site for residue FMT H 1702

Chain	Residue
G	LYS1582
G	MET1584
H	LYS1582
H	MET1584

---

site_id	AE5
Number of Residues	4
Details	binding site for residue FMT H 1703

Chain	Residue
F	GLU1524
H	ARG1508
H	LYS1516
H	ASP1526

---

site_id	AE6
Number of Residues	5
Details	binding site for residue PO4 H 1704

Chain	Residue
G	TRP1580
G	TYR1581
H	GLU1567
H	LYS1582
H	HOH1808

---

site_id	AE7
Number of Residues	4
Details	binding site for residue PO4 H 1705

Chain	Residue
H	ARG1562
H	GLU1564
H	TYR1569
H	TRP1580

---

site_id	AE8
Number of Residues	2
Details	binding site for residue PO4 I 1701

Chain	Residue
I	ARG1562
I	TYR1569

---

site_id	AE9
Number of Residues	1
Details	binding site for residue PO4 I 1702

Chain	Residue
I	GLY1601

---

site_id	AF1
Number of Residues	11
Details	binding site for residue K6P J 1701

Chain	Residue
I	TRP1495
I	TYR1502
I	ASP1521
I	TYR1523
I	MET1584
I	HOH1820
J	TRP1495
J	PHE1519
J	ASP1521
J	TYR1523
J	MET1584

---

site_id	AF2
Number of Residues	3
Details	binding site for residue PO4 J 1702

Chain	Residue
I	TRP1580
J	GLU1567
J	LYS1582

---

site_id	AF3
Number of Residues	3
Details	binding site for residue PO4 J 1703

Chain	Residue
J	ARG1562
J	TYR1569
J	TRP1580

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	476
Details	Region: {"description":"Tudor-like","evidences":[{"source":"PubMed","id":"17190600","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	280
Details	Region: {"description":"Interaction with dimethylated histone H4","evidences":[{"source":"PubMed","id":"17190600","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	20
Details	Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2); alternate","evidences":[{"source":"PubMed","id":"25114211","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"25218447","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"25755297","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"28112733","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---