3TVU

crystal structure of the humanized carboxyltransferase domain of yeast acetyl-coa caroxylase in complex with compound 3

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 532
  • Norm. En. per Res.: -3.8568
• Hub Node: A(1)

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	-64.5851	-2.5601	-379.077	-446.2222	117	16	5	13322	7	49	48
B-C	-167.1532	-217.1241	-1667.52	-2051.7973	532	60	58	70196	14	111	95

Interface residues

• A-B: ALA1484B, ALA1518B, ALA1793B, ALA1798B, ALA2161A, ALA2172A, ARG1481B, ARG1497B, ARG1516B, ARG1578A, ARG1829A, ARG2120A, ARG2127A, ARG2128A, ARG2129A, ARG2138A, ARG2169A, ASN1815A, ASN2131A, ASN2178A, ASP1510B, ASP1534B, ASP1535B, ASP1795B, ASP1796B, ASP1828A, ASP2164A, ASP2167A, ASP2183A, ASP2184A, GLN1517B, GLN2170A, GLU1491B, GLU1513B, GLU1801B, GLU1822A, GLU2114A, GLU2117A, GLU2132A, GLU2133A, GLU2176A, GLU2177A, GLY1504B, GLY1799B, GLY1885A, GLY1886A, GLY2188A, HIS1501B, ILE1483B, ILE1820A, ILE1887A, ILE2175A, LEU1480B, LEU1493B, LEU1502B, LEU1514B, LEU1532B, LEU1797B, LEU1821A, LEU1884A, LEU2126A, LEU2130A, LEU2135A, LEU2182A, LEU2186A, LYS1490B, LYS1499B, LYS1524B, LYS1531B, LYS1802B, LYS1813A, LYS2111A, LYS2137A, LYS2180A, LYS2185A, LYS2187A, MET1816A, PHE1511B, PHE1536B, PHE1537B, PHE2123A, PRO1482B, PRO1486B, PRO1488B, PRO1495B, PRO1817A, PRO1819A, PRO1830A, PRO1888A, PRO2160A, SER1520B, SER1521B, SER2162A, THR1485B, THR1506B, THR1533B, THR2116A, THR2173A, THR2181A, TRP1492B, TRP1827A, TRP2124A, TRP2174A, TYR1487B, TYR1498B, TYR1507B, TYR1509B, TYR1576A, TYR2134A, TYR2159A, TYR2179A, VAL1489B, VAL1794B, VAL1800B, VAL1818A, VAL2163A, VAL2171A
• B-C: ALA1627B, ALA1627C, ALA1632B, ALA1632C, ALA1642B, ALA1642C, ALA1646B, ALA1646C, ALA1647B, ALA1647C, ALA1712B, ALA1712C, ALA1714B, ALA1714C, ALA1718B, ALA1718C, ALA1737B, ALA1737C, ALA1759B, ALA1759C, ALA1761B, ALA1761C, ALA1874B, ALA1874C, ALA1905B, ALA1905C, ALA1908B, ALA1908C, ALA1913C, ALA1920B, ALA1920C, ALA1929B, ALA1929C, ALA1977B, ALA1977C, ALA2009B, ALA2009C, ALA2016B, ALA2016C, ALA2022B, ALA2022C, ALA2094B, ALA2094C, ALA2105B, ALA2105C, ARG1612B, ARG1612C, ARG1628B, ARG1628C, ARG1706B, ARG1706C, ARG1717B, ARG1717C, ARG1731C, ARG1741B, ARG1741C, ARG1954B, ARG1954C, ARG1961B, ARG1961C, ARG1996B, ARG1996C, ARG2021B, ARG2021C, ARG2036B, ARG2036C, ARG2046B, ARG2046C, ARG2052B, ARG2052C, ARG2078B, ARG2078C, ARG2080C, ARG2099B, ARG2099C, ARG2102B, ARG2102C, ASN1605B, ASN1605C, ASN1644B, ASN1644C, ASN1648B, ASN1648C, ASN1673B, ASN1673C, ASN1763B, ASN1763C, ASN1774B, ASN1774C, ASN1785B, ASN1785C, ASN1786B, ASN1786C, ASN1901B, ASN1901C, ASN1909B, ASN1909C, ASN1911B, ASN1911C, ASN1927B, ASN1927C, ASN1937B, ASN1937C, ASN1965B, ASN1965C, ASN2008B, ASN2008C, ASP1601B, ASP1645C, ASP1650B, ASP1650C, ASP1698B, ASP1698C, ASP1906B, ASP1906C, ASP1962B, ASP1962C, ASP1976B, ASP1976C, ASP1980B, ASP1980C, ASP2004B, ASP2004C, ASP2010B, ASP2010C, ASP2042B, ASP2042C, ASP2048B, ASP2048C, ASP2049B, ASP2049C, ASP2095B, ASP2095C, ASP2098B, ASP2098C, CYS1704B, CYS1704C, GLN1640B, GLN1640C, GLN1654B, GLN1654C, GLN1744B, GLN1744C, GLN1776B, GLN1776C, GLN1781B, GLN1781C, GLN1918B, GLN1918C, GLN1934B, GLN1934C, GLN1960B, GLN1960C, GLN2011B, GLN2011C, GLN2088B, GLN2088C, GLN2092B, GLN2092C, GLU1633B, GLU1633C, GLU1634B, GLU1634C, GLU1697B, GLU1697C, GLU1703B, GLU1703C, GLU1914B, GLU1914C, GLU1966B, GLU1966C, GLU2013B, GLU2013C, GLU2026B, GLU2026C, GLU2028B, GLU2028C, GLU2032B, GLU2032C, GLU2081B, GLU2081C, GLU2112B, GLU2112C, GLY1597C, GLY1626B, GLY1626C, GLY1630B, GLY1630C, GLY1652B, GLY1652C, GLY1695B, GLY1695C, GLY1699B, GLY1699C, GLY1701B, GLY1701C, GLY1707B, GLY1707C, GLY1709B, GLY1709C, GLY1713B, GLY1713C, GLY1734B, GLY1734C, GLY1736B, GLY1736C, GLY1743B, GLY1743C, GLY1758B, GLY1758C, GLY1778B, GLY1778C, GLY1779B, GLY1779C, GLY1787B, GLY1787C, GLY1955B, GLY1955C, GLY1958B, GLY1958C, GLY1959B, GLY1959C, GLY1971B, GLY1971C, GLY1997B, GLY1997C, GLY1998B, GLY1998C, GLY2023B, GLY2023C, GLY2029B, GLY2029C, GLY2087B, GLY2087C, GLY2107B, GLY2107C, HIS1720B, HIS1720C, HIS1790B, HIS1790C, HIS2097B, HIS2097C, ILE1593B, ILE1593C, ILE1629B, ILE1629C, ILE1635B, ILE1635C, ILE1690B, ILE1690C, ILE1693B, ILE1693C, ILE1694B, ILE1694C, ILE1711B, ILE1711C, ILE1735B, ILE1735C, ILE1754B, ILE1754C, ILE1755B, ILE1755C, ILE1782B, ILE1782C, ILE1903B, ILE1903C, ILE1917B, ILE1917C, ILE1974B, ILE1974C, ILE1989B, ILE1989C, ILE2007B, ILE2007C, ILE2033B, ILE2033C, ILE2085B, ILE2085C, ILE2089B, ILE2089C, ILE2109B, ILE2109C, LEU1638B, LEU1638C, LEU1656B, LEU1656C, LEU1658B, LEU1658C, LEU1676B, LEU1676C, LEU1700B, LEU1700C, LEU1705B, LEU1705C, LEU1710B, LEU1710C, LEU1739B, LEU1739C, LEU1742B, LEU1742C, LEU1756B, LEU1756C, LEU1762B, LEU1762C, LEU1766B, LEU1766C, LEU1775B, LEU1775C, LEU1777B, LEU1777C, LEU1870B, LEU1870C, LEU1902B, LEU1902C, LEU1916B, LEU1916C, LEU1968B, LEU1968C, LEU1978B, LEU1978C, LEU1995B, LEU1995C, LEU2025B, LEU2025C, LEU2040B, LEU2040C, LEU2047B, LEU2047C, LEU2082B, LEU2082C, LEU2083C, LEU2091B, LEU2091C, LEU2096B, LEU2096C, LYS1592B, LYS1592C, LYS1651B, LYS1651C, LYS1691B, LYS1691C, LYS1764B, LYS1764C, LYS1931B, LYS1931C, LYS1969B, LYS1969C, LYS2034B, LYS2034C, LYS2039B, LYS2039C, LYS2050B, LYS2050C, LYS2106B, LYS2106C, MET1631B, MET1631C, MET1783B, MET1783C, MET1963B, MET1963C, MET2012B, MET2012C, MET2014B, MET2014C, MET2044B, MET2044C, MET2103B, MET2103C, PHE1596B, PHE1596C, PHE1639B, PHE1639C, PHE1653B, PHE1653C, PHE1925B, PHE1925C, PHE1930B, PHE1930C, PHE1956B, PHE1956C, PHE1964B, PHE1964C, PHE1973B, PHE1973C, PHE2035B, PHE2035C, PHE2093B, PHE2093C, PRO1598B, PRO1598C, PRO1637B, PRO1637C, PRO1649B, PRO1649C, PRO1753B, PRO1753C, PRO1904B, PRO1904C, PRO1907B, PRO1907C, PRO1910C, PRO1926C, PRO2005B, PRO2005C, PRO2027C, PRO2084B, PRO2084C, SER1595B, SER1595C, SER1625B, SER1625C, SER1674B, SER1674C, SER1696B, SER1696C, SER1708B, SER1708C, SER1716B, SER1716C, SER1732B, SER1732C, SER1760B, SER1760C, SER1773B, SER1773C, SER1789B, SER1789C, SER1912B, SER1912C, SER1957B, SER1957C, SER1972B, SER1972C, SER1999B, SER1999C, SER2090B, SER2090C, SER2100B, SER2100C, SER2101B, SER2101C, SER2110B, SER2110C, THR1659C, THR1692B, THR1692C, THR1715B, THR1715C, THR1757B, THR1757C, THR1772B, THR1772C, THR1915B, THR1915C, THR2006B, THR2006C, THR2030B, THR2030C, THR2043B, THR2043C, TRP1643B, TRP1643C, TRP1873B, TRP1873C, TRP1924B, TRP1924C, TRP2000B, TRP2000C, TYR1655B, TYR1655C, TYR1657B, TYR1657C, TYR1719B, TYR1719C, TYR1738B, TYR1738C, TYR1771B, TYR1771C, TYR1784B, TYR1784C, TYR1970B, TYR1970C, TYR1981B, TYR1981C, TYR2051B, TYR2051C, TYR2086B, TYR2086C, VAL1636B, VAL1636C, VAL1641B, VAL1641C, VAL1675B, VAL1675C, VAL1689B, VAL1689C, VAL1702B, VAL1702C, VAL1733B, VAL1733C, VAL1740B, VAL1740C, VAL1765B, VAL1765C, VAL1770B, VAL1770C, VAL1788B, VAL1788C, VAL1923B, VAL1923C, VAL1967B, VAL1967C, VAL1975B, VAL1975C, VAL1979B, VAL1979C, VAL2001B, VAL2001C, VAL2002B, VAL2002C, VAL2003B, VAL2003C, VAL2018B, VAL2024B, VAL2024C, VAL2031B, VAL2031C, VAL2104B, VAL2104C, VAL2108B, VAL2108C