3GOY

crystal structure of human poly(adp-ribose) polymerase 14, catalytic fragment in complex with an inhibitor 3- aminobenzamide

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 74
  • Norm. En. per Res.: -1.6935
• Hub Node: A(2)

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	0.0	3.9948	-28.5918	-24.597	38	2	0	1554	0	10	9
A-C	-12.4237	10.0967	-122.994	-125.321	74	11	0	6631	0	16	11
B-C	0.0	0.0	-12.4103	-12.4103	14	0	0	673	0	1	0
B-D	-5.8295	13.1742	-134.272	-126.9272	78	15	0	6891	0	16	11
C-D	0.0	0.0	-0.3216	-0.3216	9	0	0	67	0	2	1

Interface residues

• A-B: ALA1581A, ALA1638B, ARG1563B, ARG1618A, ARG1719B, ASN1549B, ASN1556B, ASN1637B, ASN1639B, ASN1684A, ASP1687A, ASP1707A, CYS1559B, GLN1557B, GLN1683A, HIS1561B, HIS1698B, ILE1564B, ILE1675A, LEU1542B, LEU1688A, LYS1532A, LYS1554B, LYS1582A, LYS1720B, PHE1562B, PHE1705A, PRO1543B, PRO1677A, PRO1685A, SER1544B, SER1560B, SER1578A, THR1558B, THR1585A, THR1686A, TYR1706A, VAL1676A
• A-C: ALA1588A, ALA1588C, ASN1590A, ASN1590C, ASN1595A, ASN1595C, ASN1681A, ASN1681C, ASN1684A, ASN1684C, ASN1695A, ASN1695C, ASP1587A, ASP1587C, ASP1687A, ASP1687C, ASP1690A, ASP1690C, GLN1592A, GLN1592C, GLY1591A, GLY1591C, GLY1665A, GLY1665C, HIS1669A, HIS1669C, HIS1697A, HIS1697C, HIS1698A, HIS1698C, ILE1666A, ILE1666C, LEU1688A, LEU1688C, LYS1583A, LYS1583C, LYS1589A, LYS1589C, LYS1597A, LYS1597C, LYS1680A, LYS1680C, MET1586A, MET1586C, MET1594A, MET1594C, PHE1702A, PHE1702C, PRO1682A, PRO1682C, PRO1699A, PRO1699C, SER1679A, SER1679C, THR1585A, THR1585C, THR1593A, THR1593C, THR1664A, THR1664C, THR1668A, THR1668C, THR1686A, THR1686C, THR1691A, THR1691C, THR1693A, THR1693C, TYR1667A, TYR1667C, TYR1689A, TYR1689C, VAL1696A, VAL1696C
• B-C: ALA1552B, ASN1549B, ASN1681C, ASN1684C, GLN1557B, GLN1683C, LYS1554B, PHE1555B, PRO1682C, PRO1685C, SER1553B, THR1550B, THR1686C, VAL1551B
• B-D: ALA1588B, ALA1588D, ASN1590B, ASN1590D, ASN1595B, ASN1595D, ASN1681B, ASN1681D, ASN1684B, ASN1684D, ASN1695B, ASN1695D, ASP1587B, ASP1587D, ASP1687B, ASP1687D, ASP1690B, ASP1690D, GLN1592B, GLN1592D, GLN1683B, GLN1683D, GLY1591B, GLY1591D, GLY1665B, GLY1665D, HIS1669B, HIS1669D, HIS1697B, HIS1697D, HIS1698B, HIS1698D, ILE1666B, ILE1666D, LEU1688B, LEU1688D, LYS1583B, LYS1583D, LYS1589B, LYS1589D, LYS1597B, LYS1597D, LYS1680B, LYS1680D, MET1586B, MET1586D, MET1594B, MET1594D, PHE1702B, PHE1702D, PRO1682B, PRO1682D, PRO1685B, PRO1685D, PRO1699B, PRO1699D, SER1679B, SER1679D, THR1585B, THR1585D, THR1593B, THR1593D, THR1664B, THR1664D, THR1668B, THR1668D, THR1686B, THR1686D, THR1691B, THR1691D, THR1693B, THR1693D, TYR1667B, TYR1667D, TYR1689B, TYR1689D, VAL1696B, VAL1696D
• C-D: ARG1618C, ASN1549D, ASN1617C, ASP1545D, GLN1533C, GLN1557D, LYS1532C, PRO1546D, SER1544D