3KBU

crystal structure of the ankyrin binding domain of human erythroid beta spectrin (repeats 13-15) in complex with the spectrin binding domain of human erythroid ankyrin (zu5-ank), emts derivative

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 86
  • Norm. En. per Res.: -4.5016
• 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	0.0	0.0	-0.859	-0.859	19	0	0	174	0	8	11
A-C	-4.8804	-7.0886	-7.3111	-19.2801	22	5	0	754	0	12	11
A-D	-49.247	-77.9382	-232.906	-360.0912	83	16	10	8777	6	33	7
B-C	-70.5545	-77.1565	-239.425	-387.136	86	11	9	8709	4	37	8

Interface residues

• A-B: GLN1720A, GLU1708B, GLU1717A, GLU1717B, GLU1738A, HIS1724A, ILE1742B, LEU1711B, LEU1727A, LEU1728A, LYS1709A, LYS1709B, LYS1731A, LYS1731B, PHE1735A, PHE1735B, TRP1705B, VAL1712A, VAL1712B
• A-C: ARG1021C, ARG1697A, ARG1746A, ASN1013C, ASP1615A, ASP1700A, ASP1701A, GLN1704A, GLU1012C, GLU1019C, GLU1616A, GLU1617A, GLU1698A, GLU1708A, GLY1014C, LEU1702A, LYS1018C, SER1015C, SER960C, THR961C, TRP1017C, VAL1016C
• A-D: ALA1713A, ALA1780A, ALA1794A, ALA1795A, ALA1865A, ALA1867A, ALA1871A, ALA921D, ALA944D, ALA945D, ARG1789A, ARG1861A, ARG922D, ARG930D, ARG941D, ARG948D, ARG952D, ASN1776A, ASP1773A, ASP1781A, ASP1787A, ASP1798A, ASP920D, CYS943D, CYS951D, GLN1791A, GLN1863A, GLU1710A, GLU1777A, GLU1784A, GLU1869A, GLY1774A, GLY1868A, GLY912D, GLY923D, GLY979D, HIS931D, ILE1786A, ILE1874A, ILE949D, LEU1711A, LEU1775A, LEU1782A, LEU1783A, LEU1785A, LEU1792A, LEU1793A, LEU1799A, LEU1862A, LEU914D, LEU986D, LYS1709A, LYS1870A, LYS958D, MET1718A, MET1778A, MET1790A, MET918D, MET926D, PHE1732A, PHE913D, PHE917D, PRO1716A, PRO940D, PRO946D, PRO980D, SER1707A, SER1714A, SER1715A, SER1796A, SER916D, SER929D, THR1788A, THR1864A, THR942D, THR947D, THR950D, THR981D, TRP1779A, TYR1866A, VAL1712A, VAL915D, VAL919D
• B-C: ALA1713B, ALA1780B, ALA1794B, ALA1795B, ALA1865B, ALA1867B, ALA1871B, ALA921C, ALA944C, ALA945C, ARG1789B, ARG1861B, ARG922C, ARG930C, ARG941C, ARG948C, ARG952C, ARG974C, ASN1776B, ASP1773B, ASP1781B, ASP1787B, ASP1798B, ASP920C, CYS943C, CYS951C, GLN1791B, GLN1863B, GLU1703B, GLU1710B, GLU1770B, GLU1777B, GLU1784B, GLU1869B, GLY1774B, GLY1868B, GLY912C, GLY923C, GLY928C, HIS931C, ILE1786B, ILE1874B, ILE949C, LEU1711B, LEU1775B, LEU1782B, LEU1783B, LEU1785B, LEU1792B, LEU1793B, LEU1799B, LEU1862B, LEU914C, LEU953C, LEU986C, LYS1709B, LYS1870B, LYS955C, LYS958C, MET1718B, MET1778B, MET1790B, MET918C, MET926C, PHE1732B, PHE913C, PHE917C, PRO1716B, PRO946C, PRO980C, SER1707B, SER1714B, SER1715B, SER1796B, SER916C, SER929C, THR1788B, THR1864B, THR942C, THR947C, THR950C, TRP1779B, TYR1866B, VAL1712B, VAL915C, VAL919C