2G45

co-crystal structure of znf ubp domain from the deubiquitinating enzyme isopeptidase t (isot) in complex with ubiquitin

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 56
  • Norm. En. per Res.: -3.7154
• 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	-34.6291	-6.4589	-166.977	-208.065	56	6	4	5141	6	20	16
A-D	-166.378	-157.1867	207.206	-116.3587	163	35	12	21160	10	66	26
A-E	0.0	0.0	-0.0006	-0.0006	2	0	0	2	0	0	1
B-D	0.0	0.0	-0.0007	-0.0007	2	0	0	2	0	0	1
D-E	-37.3819	-5.4946	-165.037	-207.9135	56	7	4	5127	6	20	16

Interface residues

• A-B: ALA233A, ALA245A, ARG221A, ARG222A, ARG238A, ARG72B, ARG74B, ASN207A, ASN231A, ASP225A, ASP257A, ASP264A, ASP265A, ASP39B, CYS219A, GLN31B, GLN40B, GLN41B, GLU235A, GLU263A, GLU34B, GLY220A, GLY226A, GLY228A, GLY229A, GLY35B, GLY75B, GLY76B, HIS232A, HIS236A, ILE36B, LEU208A, LEU218A, LEU69B, LEU71B, LEU73B, LEU8B, LYS11B, LYS247A, MET266A, PHE224A, PRO243A, PRO37B, SER227A, SER260A, THR7B, THR9B, TRP209A, TYR223A, TYR237A, TYR259A, TYR261A, VAL234A, VAL246A, VAL258A, VAL267A
• A-D: ALA180A, ALA180D, ALA190A, ALA190D, ALA245A, ALA245D, ALA256A, ALA256D, ALA273A, ALA273D, ARG174A, ARG174D, ARG191A, ARG191D, ARG205A, ARG205D, ASN188A, ASN188D, ASN211A, ASN211D, ASP187A, ASP187D, ASP203A, ASP203D, ASP214A, ASP214D, ASP257A, ASP257D, ASP262A, ASP262D, ASP264A, ASP264D, ASP265A, ASP265D, ASP269A, ASP269D, ASP282D, CYS195A, CYS195D, CYS199A, CYS199D, CYS202A, CYS202D, GLN175A, GLN175D, GLN185A, GLN185D, GLU263A, GLU263D, GLU274A, GLU274D, GLY196A, GLY196D, GLY215A, GLY215D, GLY241A, GLY241D, GLY255A, GLY255D, GLY280A, GLY280D, HIS179A, HIS179D, HIS236A, HIS236D, HIS275A, HIS275D, HIS278A, HIS278D, ILE192A, ILE192D, ILE217A, ILE217D, ILE281A, ILE281D, LEU183A, LEU183D, LEU186A, LEU186D, LEU210A, LEU210D, LEU212A, LEU212D, LEU244A, LEU244D, LEU248A, LEU248D, LEU268A, LEU268D, LEU272A, LEU272D, LEU276A, LEU276D, LYS178A, LYS178D, LYS184A, LYS184D, LYS198A, LYS198D, LYS247A, LYS247D, LYS285A, LYS285D, MET266A, MET266D, MET286A, MET286D, PHE181A, PHE181D, PHE279A, PHE279D, PRO189A, PRO189D, PRO193A, PRO193D, PRO194A, PRO194D, PRO243A, PRO243D, PRO270A, PRO270D, SER177A, SER177D, SER182A, SER182D, SER200A, SER200D, SER216A, SER216D, SER260A, SER260D, SER271A, SER271D, SER277A, SER277D, THR213A, THR213D, THR240A, THR240D, THR250A, THR250D, TRP197A, TRP197D, TRP209A, TRP209D, TYR237A, TYR237D, TYR242A, TYR242D, TYR259A, TYR259D, TYR261A, TYR261D, VAL173A, VAL173D, VAL176A, VAL176D, VAL246A, VAL246D, VAL258A, VAL258D, VAL267A, VAL267D
• A-E: ARG174A, GLY75E
• B-D: ARG174D, GLY75B
• D-E: ALA233D, ALA245D, ARG221D, ARG222D, ARG238D, ARG72E, ARG74E, ASN207D, ASN231D, ASP225D, ASP257D, ASP264D, ASP265D, ASP39E, CYS219D, GLN31E, GLN40E, GLN41E, GLU235D, GLU263D, GLU34E, GLY220D, GLY226D, GLY228D, GLY229D, GLY35E, GLY75E, GLY76E, HIS232D, HIS236D, ILE36E, LEU208D, LEU210D, LEU218D, LEU69E, LEU71E, LEU73E, LEU8E, LYS11E, LYS247D, LYS33E, MET266D, PHE224D, PRO37E, SER227D, SER260D, THR7E, THR9E, TRP209D, TYR223D, TYR237D, TYR259D, TYR261D, VAL234D, VAL246D, VAL258D