2QL2

crystal structure of the basic-helix-loop-helix domains of the heterodimer e47/neurod1 bound to dna

• Total interactions analyzed: 28
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 79
  • Norm. En. per Res.: -3.8155
• 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	-17.7225	-40.2656	-243.44	-301.4281	79	7	29	12283	1	15	20
A-D	0.0	-2.3138	-50.3578	-52.6716	24	9	1	2114	0	8	8
B-C	0.0	-13.797	-37.4083	-51.2053	29	3	0	2110	0	10	10
B-D	0.0	11.5514	-77.6155	-66.0641	39	2	5	3564	0	5	5
C-D	0.0	-9.0551	-234.374	-243.4291	79	7	27	12017	0	16	22

Interface residues

• A-B: ALA119B, ALA120B, ALA146B, ALA152B, ALA561A, ALA588A, ARG113B, ARG125B, ARG144B, ARG158B, ARG554A, ARG556A, ARG563A, ARG567A, ARG600A, ASN118B, ASN123B, ASN148B, ASN559A, ASP122B, ASP557A, CYS569A, GLN570A, GLN586A, GLN587A, GLN590A, GLN597A, GLN598A, GLU141B, GLU155B, GLU560A, GLU564A, GLU596A, GLU601A, GLY116B, GLY566A, GLY594A, HIS115B, HIS572A, ILE140B, ILE150B, ILE156B, ILE558A, ILE584A, ILE592A, LEU117B, LEU121B, LEU124B, LEU143B, LEU145B, LEU153B, LEU157B, LEU565A, LEU571A, LEU582A, LEU583A, LEU585A, LEU593A, LEU595A, LYS126B, LYS139B, LYS147B, LYS581A, MET114B, MET568A, PHE562A, PRO129B, SER138B, SER154B, THR142B, THR580A, TRP151B, TYR149B, VAL127B, VAL128B, VAL555A, VAL589A, VAL591A, VAL599A
• A-D: ARG600A, ASN148D, CYS130D, GLN135D, GLN597A, GLN598A, GLU141D, GLU596A, GLU601A, ILE592A, LEU137D, LEU145D, LEU593A, LEU595A, LYS133D, LYS136D, PRO129D, SER132D, SER138D, THR134D, TYR131D, TYR149D, VAL128D, VAL599A
• B-C: ALA146B, ALA152B, ARG144B, ARG600C, ARG602C, ASN148B, CYS130B, GLN135B, GLN597C, GLN598C, GLU141B, GLU596C, GLU601C, ILE140B, ILE592C, LEU137B, LEU145B, LEU593C, LEU595C, LYS136B, PRO129B, SER132B, SER138B, THR142B, TRP151B, TYR131B, TYR149B, VAL128B, VAL599C
• B-D: ALA146D, ALA152B, ALA152D, ARG144B, ARG144D, ARG158B, ARG158D, ASN148B, ASN148D, CYS130B, CYS130D, GLU155B, GLU155D, ILE150B, ILE150D, ILE156B, ILE156D, LEU145B, LEU145D, LEU153B, LEU153D, LEU157B, LEU157D, LYS126D, LYS147B, LYS147D, PRO129B, PRO129D, SER154B, SER154D, SER159B, TRP151B, TRP151D, TYR131D, TYR149B, TYR149D, VAL127B, VAL127D, VAL128D
• C-D: ALA119D, ALA120D, ALA146D, ALA152D, ALA561C, ALA588C, ARG113D, ARG125D, ARG144D, ARG158D, ARG554C, ARG556C, ARG563C, ARG600C, ARG602C, ASN118D, ASN123D, ASN148D, ASN559C, ASP122D, ASP557C, CYS569C, GLN586C, GLN587C, GLN590C, GLN597C, GLN598C, GLU141D, GLU155D, GLU560C, GLU564C, GLU596C, GLU601C, GLY116D, GLY566C, GLY594C, HIS115D, HIS572C, ILE140D, ILE150D, ILE156D, ILE558C, ILE584C, ILE592C, LEU117D, LEU121D, LEU124D, LEU143D, LEU145D, LEU153D, LEU157D, LEU565C, LEU571C, LEU573C, LEU582C, LEU583C, LEU585C, LEU593C, LEU595C, LYS126D, LYS139D, LYS147D, LYS581C, MET114D, MET568C, PHE562C, PRO129D, SER138D, SER154D, THR142D, THR580C, TRP151D, TYR149D, VAL127D, VAL128D, VAL555C, VAL589C, VAL591C, VAL599C