3SE2

human poly(adp-ribose) polymerase 14 (parp14/artd8) - catalytic domain in complex with 6(5h)-phenanthridinone

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 63
  • Norm. En. per Res.: -2.4033
• Hub Node: A(3)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-3.2129	24.6862	-27.6456	-6.1723	18	1	0	1088	0	14	15
A-C	-67.6873	-46.6616	437.106	322.7571	90	19	3	8206	4	35	32
A-D	-25.6664	-3.3802	-122.364	-151.4106	63	6	0	5232	0	10	21
B-C	-11.654	-2.0924	-119.353	-133.0994	65	7	0	5137	0	12	23
B-D	-66.4751	-45.3737	360.503	248.6541	91	12	3	8136	3	36	32
C-D	0.0	0.9227	-9.8992	-8.9765	8	1	0	414	0	2	1

Interface residues

• A-B: ALA1651A, ALA1651B, ARG1563A, ARG1563B, ARG1654A, ARG1654B, ARG1719A, ARG1719B, ASN1652A, ASN1652B, ASP1650A, ASP1650B, GLU1565A, GLU1565B, GLY1653A, GLY1653B, LYS1720A, LYS1720B
• A-C: ALA1605A, ALA1605C, ALA1621C, ALA1651A, ALA1651C, ARG1569A, ARG1569C, ARG1613A, ARG1613C, ARG1618C, ARG1648A, ARG1648C, ARG1654A, ARG1654C, ARG1719A, ASN1535A, ASN1535C, ASN1572A, ASN1572C, ASN1612A, ASN1612C, ASN1614A, ASN1614C, ASN1617A, ASN1617C, ASN1652A, ASN1652C, ASP1604A, ASP1604C, ASP1650A, ASP1650C, CYS1537A, CYS1537C, GLN1533A, GLN1533C, GLN1534A, GLN1534C, GLN1571A, GLN1571C, GLU1540A, GLU1540C, GLU1568A, GLU1568C, GLY1606A, GLY1606C, GLY1622A, GLY1622C, GLY1653A, GLY1653C, HIS1610A, HIS1610C, HIS1656A, HIS1656C, ILE1567A, ILE1567C, ILE1570A, ILE1570C, LEU1541A, LEU1541C, LEU1542A, LEU1542C, LEU1715A, LEU1715C, LYS1532A, LYS1532C, LYS1566A, LYS1566C, LYS1623A, PHE1536A, PHE1536C, PRO1543A, PRO1543C, PRO1609A, PRO1609C, SER1607A, SER1607C, SER1619A, SER1619C, THR1717A, THR1717C, TYR1620A, TYR1620C, TYR1658A, TYR1658C, VAL1538A, VAL1538C, VAL1539A, VAL1539C, VAL1608A, VAL1608C
• A-D: ALA1552A, ALA1581D, ALA1621D, ALA1625D, ARG1563A, ARG1618D, ARG1654A, ARG1719A, ASN1549A, ASN1556A, ASN1617D, ASN1624D, ASN1671D, ASP1545A, ASP1707D, CYS1559A, GLN1557A, GLN1709D, GLU1540A, GLU1565A, GLY1622D, GLY1631D, HIS1561A, HIS1610D, HIS1672D, ILE1564A, ILE1567A, ILE1675D, ILE1716A, LEU1541A, LEU1542A, LEU1674D, LEU1688D, LYS1532D, LYS1554A, LYS1566A, LYS1582D, LYS1623D, LYS1630D, PHE1555A, PHE1562A, PHE1705D, PRO1543A, PRO1546A, PRO1677D, PRO1685D, SER1544A, SER1553A, SER1560A, SER1578D, SER1619D, SER1673D, THR1550A, THR1558A, THR1585D, THR1686D, THR1717A, TYR1548A, TYR1620D, TYR1706D, TYR1708D, VAL1551A, VAL1676D
• B-C: ALA1552B, ALA1581C, ALA1621C, ALA1625C, ARG1563B, ARG1618C, ARG1654B, ARG1719B, ASN1549B, ASN1556B, ASN1617C, ASN1624C, ASN1671C, ASP1545B, ASP1707C, CYS1559B, GLN1534C, GLN1557B, GLN1709C, GLU1540B, GLU1547B, GLU1565B, GLY1622C, GLY1631C, HIS1561B, HIS1610C, HIS1672C, ILE1564B, ILE1567B, ILE1675C, ILE1716B, LEU1541B, LEU1542B, LEU1674C, LEU1688C, LYS1532C, LYS1554B, LYS1566B, LYS1582C, LYS1623C, LYS1630C, PHE1555B, PHE1562B, PHE1705C, PHE1718B, PRO1543B, PRO1546B, PRO1677C, SER1544B, SER1553B, SER1560B, SER1578C, SER1619C, SER1673C, THR1550B, THR1558B, THR1585C, THR1686C, THR1717B, TYR1548B, TYR1620C, TYR1706C, TYR1708C, VAL1551B, VAL1676C
• B-D: ALA1605B, ALA1605D, ALA1621D, ALA1651B, ALA1651D, ARG1569B, ARG1569D, ARG1613B, ARG1613D, ARG1618D, ARG1648B, ARG1648D, ARG1654B, ARG1654D, ARG1719B, ARG1719D, ASN1535B, ASN1535D, ASN1572B, ASN1572D, ASN1612B, ASN1612D, ASN1614B, ASN1614D, ASN1617B, ASN1617D, ASN1652B, ASN1652D, ASP1604B, ASP1604D, ASP1650B, ASP1650D, CYS1537B, CYS1537D, GLN1533B, GLN1533D, GLN1534B, GLN1534D, GLN1571B, GLN1571D, GLU1540B, GLU1540D, GLU1568B, GLU1568D, GLY1606B, GLY1606D, GLY1622B, GLY1622D, GLY1653B, HIS1610B, HIS1610D, HIS1656B, HIS1656D, ILE1567B, ILE1567D, ILE1570B, ILE1570D, LEU1541B, LEU1541D, LEU1542B, LEU1542D, LEU1715B, LEU1715D, LYS1532B, LYS1532D, LYS1566B, LYS1566D, PHE1536B, PHE1536D, PRO1543B, PRO1543D, PRO1573B, PRO1609B, PRO1609D, SER1607B, SER1607D, SER1619B, SER1619D, THR1717B, THR1717D, TYR1620B, TYR1620D, TYR1658B, TYR1658D, VAL1538B, VAL1538D, VAL1539B, VAL1539D, VAL1608B, VAL1608D, VAL1611B
• C-D: ARG1618D, ASP1574D, GLN1533C, GLN1533D, GLN1534D, LYS1532C, LYS1532D, TYR1708D