3KG6

dehydratase domain from curf module of curacin polyketide synthase

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 64
  • Norm. En. per Res.: -3.2422
• 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	-21.8788	0.0	-45.6519	-67.5307	35	3	0	2112	0	6	5
A-C	-28.9892	0.0	-150.941	-179.9302	56	9	4	5677	0	2	3
A-D	-24.1019	-4.0865	-178.689	-206.8774	78	6	0	7064	0	15	16
B-D	-44.2132	0.0	-163.289	-207.5022	64	23	4	6566	0	4	10
C-D	-22.8451	0.0	-41.36	-64.2051	32	3	0	1842	0	5	5

Interface residues

• A-B: ALA1820A, ARG1704B, ARG1816A, ARG1924A, ARG1962B, ASN1817A, ASP1823A, GLN1748A, GLN1760B, GLN1773B, GLN1801B, GLN1819A, GLN1951A, GLU1749A, GLU1787B, GLU1825A, HIS1805B, LEU1759B, LEU1804B, LYS1821A, LYS1964B, PHE1789B, PRO1791B, PRO1800B, PRO1814A, SER1747A, SER1790B, SER1792B, SER1818A, THR1799B, THR1815A, THR1953A, TRP1802B, TYR1923A, VAL1803B
• A-C: ALA1697A, ALA1697C, ARG1704A, ARG1704C, ASN1695A, ASN1695C, GLN1702A, GLN1702C, GLN1706A, GLN1706C, GLN1773A, GLN1773C, GLN1801A, GLN1801C, GLU1700A, GLU1700C, GLU1787A, GLU1787C, GLY1698A, GLY1698C, HIS1703A, HIS1703C, ILE1694A, ILE1694C, ILE1699A, ILE1699C, ILE1788A, ILE1788C, LEU1696A, LEU1696C, LEU1804A, LEU1804C, LYS1693A, LYS1693C, LYS1785C, PHE1789A, PHE1789C, PRO1791A, PRO1791C, PRO1800C, SER1777A, SER1777C, SER1790A, SER1790C, THR1771A, THR1771C, THR1774A, THR1774C, THR1799C, TRP1802A, TRP1802C, VAL1772C, VAL1775A, VAL1775C, VAL1803A, VAL1803C
• A-D: ALA1697A, ALA1697D, ALA1740A, ALA1779A, ALA1779D, ARG1816A, ARG1816D, ASN1695A, ASN1695D, ASN1781A, ASN1781D, ASN1782A, ASN1782D, ASN1817A, ASN1817D, ASP1701A, ASP1701D, GLN1702A, GLN1702D, GLN1748A, GLN1748D, GLN1750A, GLN1750D, GLU1700A, GLU1700D, GLU1749A, GLU1749D, GLU1780A, GLU1780D, GLU1813A, GLU1813D, GLY1698A, GLY1698D, GLY1741A, GLY1741D, HIS1703A, HIS1703D, ILE1694D, ILE1699A, ILE1699D, ILE1810A, ILE1810D, LEU1696A, LEU1696D, LEU1744A, LEU1744D, LYS1693A, LYS1693D, LYS1742A, LYS1742D, PHE1705A, PHE1745A, PHE1745D, PHE1778A, PHE1778D, PRO1814A, PRO1814D, SER1743A, SER1743D, SER1747A, SER1747D, SER1777A, SER1777D, SER1783A, SER1783D, SER1818A, SER1818D, THR1746A, THR1746D, THR1812A, THR1812D, THR1815A, THR1815D, TYR1784A, TYR1784D, TYR1811A, TYR1811D, VAL1752A
• B-D: ALA1697B, ALA1697D, ARG1704B, ARG1704D, ASN1695B, ASN1695D, ASP1701B, ASP1701D, GLN1702B, GLN1702D, GLN1706B, GLN1706D, GLN1773B, GLN1773D, GLN1801B, GLN1801D, GLU1700B, GLU1700D, GLU1787B, GLU1787D, GLY1698B, GLY1698D, HIS1703B, HIS1703D, ILE1694B, ILE1694D, ILE1699B, ILE1699D, ILE1788B, ILE1788D, LEU1696B, LEU1696D, LEU1744D, LEU1804B, LEU1804D, LYS1693B, LYS1693D, LYS1785D, PHE1789B, PHE1789D, PRO1791B, PRO1791D, PRO1800B, PRO1800D, SER1777B, SER1777D, SER1790B, SER1790D, SER1792B, SER1792D, THR1771B, THR1771D, THR1774B, THR1774D, THR1799B, THR1799D, TRP1802B, TRP1802D, TYR1708B, VAL1775B, VAL1775D, VAL1776B, VAL1803B, VAL1803D
• C-D: ALA1820D, ARG1704C, ARG1816D, ARG1924D, ASN1817D, ASP1823D, GLN1748D, GLN1750D, GLN1760C, GLN1773C, GLN1801C, GLN1819D, GLN1951D, GLU1793C, GLU1825D, GLU1967C, HIS1805C, LEU1759C, LEU1804C, LYS1821D, LYS1964C, PHE1789C, PRO1791C, PRO1800C, SER1792C, SER1818D, THR1799C, THR1815D, THR1953D, TRP1802C, TYR1923D, VAL1803C