3LQI

crystal structure of mll1 phd3-bromo complexed with h3(1-9)k4me2 peptide

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: C-T
  • Int. Res.: 44
  • Norm. En. per Res.: -3.2083
• 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	-64.4665	-2.2504	-344.456	-411.1729	144	18	0	15045	3	76	83
A-C	0.0	0.0	-12.0759	-12.0759	18	1	0	636	0	4	1
A-R	-21.5153	-6.2161	-99.2511	-126.9825	40	6	5	3908	0	8	4
B-C	-36.1145	-24.6995	-184.962	-245.776	77	7	1	7593	2	32	33
B-S	-13.5738	-7.6709	-103.909	-125.1537	41	4	5	3918	0	6	4
C-S	0.0	0.0	-8.2904	-8.2904	19	2	1	777	0	3	1
C-T	-17.2901	-11.9631	-111.914	-141.1673	44	6	5	4430	0	17	6

Interface residues

• A-B: ALA1630A, ALA1630B, ALA1635A, ALA1635B, ARG1627A, ARG1627B, ARG1633A, ARG1633B, ARG1713A, ARG1775A, ARG1775B, ASN1601A, ASN1601B, ASN1623A, ASN1623B, ASN1719A, ASN1719B, ASP1580A, ASP1580B, ASP1604A, ASP1604B, ASP1716A, ASP1716B, ASP1728A, ASP1728B, ASP1729B, CYS1569A, CYS1572A, CYS1572B, CYS1575A, CYS1575B, CYS1599A, CYS1599B, CYS1621A, CYS1621B, GLN1641A, GLN1641B, GLN1704A, GLN1704B, GLN1717A, GLN1717B, GLN1735B, GLU1582A, GLU1582B, GLU1600A, GLU1600B, GLU1605A, GLU1605B, GLU1608A, GLU1626A, GLU1637A, GLU1637B, GLU1725A, GLU1725B, GLU1778A, GLU1778B, GLY1718A, GLY1718B, HIS1596A, HIS1596B, HIS1628A, HIS1628B, LEU1571A, LEU1571B, LEU1602A, LEU1602B, LEU1610B, LEU1634A, LEU1634B, LEU1636A, LEU1636B, LEU1640A, LEU1640B, LEU1644A, LEU1644B, LEU1724A, LEU1724B, LYS1574A, LYS1574B, LYS1584A, LYS1584B, LYS1598A, LYS1598B, LYS1638A, LYS1638B, LYS1645A, LYS1714A, LYS1714B, LYS1732B, LYS1755B, LYS1772A, LYS1772B, LYS1773A, LYS1773B, MET1585A, MET1585B, MET1606A, MET1606B, MET1715A, MET1715B, PHE1726B, PHE1769A, PHE1769B, PHE1776A, PHE1776B, PRO1570A, PRO1570B, PRO1629A, PRO1629B, PRO1779B, SER1583A, SER1583B, SER1597A, SER1597B, SER1603A, SER1603B, SER1722A, SER1722B, SER1727A, SER1770A, SER1774A, SER1774B, THR1625A, THR1625B, THR1721A, THR1721B, TRP1632A, TRP1632B, TRP1768A, TRP1777A, TRP1777B, TYR1576A, TYR1581A, TYR1607A, TYR1607B, TYR1720A, TYR1720B, VAL1622A, VAL1622B, VAL1723A, VAL1723B, VAL1731B, VAL1771A, VAL1771B
• A-C: ARG1775A, ASN1780C, ASP1604A, ASP1728A, GLN1704A, GLU1605A, GLU1725A, LEU1724A, PHE1726A, PHE1769A, PHE1776A, SER1603A, SER1722A, SER1783C, SER1784C, THR1721A, VAL1723A, VAL1782C
• A-R: ALA1618A, ALA1635A, ALA1R, ARG2R, ASN1612A, ASP1578A, ASP1592A, ASP1604A, CYS1588A, GLN1587A, GLN5R, GLU1582A, GLU1608A, GLU1615A, GLY1589A, ILE1609A, LEU1602A, LEU1610A, LEU1613A, LEU1636A, LYS1584A, MET1585A, MET1586A, MET1606A, PRO1614A, SER1583A, SER1597A, SER1611A, SER1616A, THR1620A, THR3R, THR6R, TRP1594A, TRP1632A, TRP1768A, TYR1581A, TYR1607A, TYR1619A, VAL1595A, VAL1617A
• B-C: ALA1736C, ALA1737C, ARG1760B, ARG1764B, ARG1775B, ARG1775C, ASN1612B, ASN1739C, ASN1780C, ASP1577B, ASP1578B, ASP1579B, ASP1604B, ASP1604C, ASP1728B, ASP1728C, ASP1729C, ASP1741C, GLN1704C, GLN1735C, GLN1761B, GLU1582B, GLU1582C, GLU1605B, GLU1608B, GLU1615B, GLU1725B, GLU1725C, GLU1763B, GLU1778C, GLY1566B, ILE1609B, ILE1733C, ILE1738C, ILE1759B, LEU1610B, LEU1706C, LEU1724B, LEU1724C, LYS1584B, LYS1584C, LYS1732C, LYS1772B, LYS1773B, LYS1773C, LYS1781C, MET1606B, MET1762B, PHE1757B, PHE1766B, PHE1769B, PHE1776C, PRO1705C, PRO1767B, PRO1779C, SER1565B, SER1603B, SER1611B, SER1722B, SER1727B, SER1740C, SER1756B, SER1770B, SER1774B, SER1783C, SER1784C, THR1721C, TRP1768B, TRP1777C, TYR1581B, TYR1607B, TYR1663C, VAL1723B, VAL1731C, VAL1765B, VAL1771B, VAL1782C
• B-S: ALA1618B, ALA1635B, ALA1S, ALA7S, ARG2S, ASN1612B, ASP1592B, ASP1604B, CYS1588B, GLN1587B, GLN5S, GLU1605B, GLU1608B, GLU1615B, GLU1631B, GLY1589B, ILE1609B, LEU1602B, LEU1610B, LEU1613B, LEU1636B, LYS1584B, MET1585B, MET1586B, MET1606B, PRO1614B, SER1583B, SER1597B, SER1611B, SER1616B, THR1620B, THR3S, THR6S, TRP1594B, TRP1632B, TRP1768B, TYR1581B, TYR1607B, TYR1619B, VAL1595B, VAL1617B
• C-S: ALA7S, ARG1775C, ARG2S, ASP1604C, ASP1728C, GLN5S, GLU1605C, GLU1725C, LEU1724C, MET1606C, PHE1769C, PHE1776C, SER1603C, SER1722C, THR3S, THR6S, TRP1768C, VAL1723C, VAL1782C
• C-T: ALA1618C, ALA1635C, ALA1T, ALA7T, ARG2T, ARG8T, ASN1612C, ASP1578C, ASP1579C, ASP1592C, ASP1604C, CYS1588C, GLN1587C, GLN5T, GLU1582C, GLU1608C, GLU1615C, GLY1589C, ILE1609C, LEU1602C, LEU1610C, LEU1613C, LEU1636C, LYS1584C, LYS9T, MET1585C, MET1586C, MET1606C, PRO1614C, SER1583C, SER1597C, SER1611C, SER1616C, THR1620C, THR3T, THR6T, TRP1594C, TRP1632C, TRP1768C, TYR1581C, TYR1607C, TYR1619C, VAL1595C, VAL1617C