1TVK

the binding mode of epothilone a on a,b-tubulin by electron crystallography

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 163
  • Norm. En. per Res.: -3.3568
• 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	-43.3694	-36.6249	-467.159	-547.1532	163	61	5	20546	4	72	66

Interface residues

• A-B: ALA100A, ALA12A, ALA174A, ALA180A, ALA248B, ALA254B, ALA314B, ALA352B, ALA400A, ALA403A, ALA99A, ARG105A, ARG156B, ARG162B, ARG214A, ARG215A, ARG221A, ARG241B, ARG251B, ARG262B, ARG2B, ARG320B, ARG390A, ARG402A, ARG46B, ASN101A, ASN102A, ASN186A, ASN206A, ASN226A, ASN228A, ASN247B, ASN256B, ASN332B, ASN335B, ASN347B, ASN348B, ASN370B, ASP128B, ASP161B, ASP197B, ASP211A, ASP249B, ASP327B, ASP355B, ASP392A, ASP396A, ASP427B, ASP69A, ASP76A, ASP98A, CYS127B, CYS129B, CYS213A, CYS354B, GLN11A, GLN131B, GLN15A, GLN176A, GLN245B, GLN329B, GLN334B, GLN424B, GLU183A, GLU198B, GLU207A, GLU220A, GLU325B, GLU328B, GLU343B, GLU3B, GLU411A, GLU45B, GLU71A, GLU77A, GLU97A, GLY132B, GLY142A, GLY143A, GLY144A, GLY244B, GLY95A, HIS264B, HIS393A, HIS406A, ILE110A, ILE163B, ILE209A, ILE212A, ILE219A, ILE345B, ILE75A, LEU130B, LEU227A, LEU240B, LEU246B, LEU250B, LEU253B, LEU263B, LEU311B, LEU331B, LEU391A, LEU397A, LEU42B, LEU70A, LYS252B, LYS324B, LYS350B, LYS362B, LYS394A, LYS401A, LYS96A, MET164B, MET257B, MET321B, MET323B, MET330B, MET398A, PHE242B, PHE260B, PHE266B, PHE395A, PHE404A, PRO175A, PRO184A, PRO222A, PRO243B, PRO259B, PRO261B, PRO346B, PRO72A, SER178A, SER322B, THR109A, THR145A, THR179A, THR223A, THR225A, THR312B, THR351B, THR73A, THR80A, TRP344B, TRP407A, TYR103A, TYR185A, TYR210A, TYR224A, TYR399A, TYR408A, TYR425B, VAL177A, VAL181A, VAL182A, VAL255B, VAL258B, VAL313B, VAL326B, VAL342B, VAL349B, VAL353B, VAL405A, VAL74A