3MTN

usp21 in complex with a ubiquitin-based, usp21-specific inhibitor

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 171
  • Norm. En. per Res.: -4.2925
• 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	-102.2331	-105.8574	-477.513	-685.6035	170	40	9	20226	6	39	50
A-C	0.0	0.0	-5.872	-5.872	22	0	0	337	0	2	4
B-C	-30.5794	-5.6839	-57.3909	-93.6542	43	4	0	2826	4	24	24
B-D	-2.254	4.9101	-26.3089	-23.6528	27	1	0	1044	1	8	11
C-D	-124.3607	-101.5284	-508.124	-734.0131	171	34	9	20488	4	38	50

Interface residues

• A-B: ALA302A, ALA434A, ALA468A, ALA46B, ARG312A, ARG361A, ARG365A, ARG42B, ARG439A, ARG441A, ARG465A, ARG470A, ARG54B, ARG72B, ARG74B, ASN216A, ASN219A, ASN224A, ASN318A, ASN421A, ASN433A, ASN464A, ASN509A, ASN60B, ASP301A, ASP399A, ASP438A, ASP534A, CYS221A, CYS398A, CYS419A, CYS437A, GLN299A, GLN2B, GLN300A, GLN303A, GLN40B, GLN41B, GLN49B, GLN62B, GLU16B, GLU304A, GLU311A, GLU34B, GLU366A, GLU395A, GLU426A, GLU427A, GLU428A, GLU430A, GLU432A, GLU51B, GLU549A, GLY10B, GLY218A, GLY35B, GLY376A, GLY471A, GLY47B, GLY512A, GLY517A, GLY550A, GLY75B, GLY76B, HIS0B, HIS314A, HIS462A, HIS510A, HIS515A, HIS518A, ILE13B, ILE36B, ILE3B, ILE404A, ILE44B, ILE473A, ILE61B, LEU15B, LEU223A, LEU306A, LEU308A, LEU315A, LEU378A, LEU382A, LEU400A, LEU402A, LEU422A, LEU429A, LEU43B, LEU450A, LEU463A, LEU50B, LEU67B, LEU69B, LEU70B, LEU71B, LEU73B, LEU8B, LYS11B, LYS307A, LYS33B, LYS379A, LYS406A, LYS425A, LYS443A, LYS448A, LYS449A, LYS474A, LYS475A, LYS48B, LYS63B, LYS6B, MET1B, MET310A, MET358A, PHE222A, PHE294A, PHE305A, PHE394A, PHE397A, PHE420A, PHE423A, PHE45B, PHE466A, PHE4B, PHE68B, PRO292A, PRO37B, PRO403A, PRO405A, PRO435A, SER293A, SER298A, SER380A, SER391A, SER401A, SER431A, SER446A, SER467A, SER472A, SER476A, SER477A, SER511A, SER513A, SER65B, THR12B, THR14B, THR220A, THR392A, THR393A, THR424A, THR447A, THR66B, THR7B, THR9B, TRP64B, TYR297A, TYR362A, TYR389A, TYR516A, TYR519A, TYR551A, TYR59B, VAL291A, VAL375A, VAL396A, VAL436A, VAL514A, VAL552A, VAL5B
• A-C: ALA255A, ALA285C, ARG254A, ARG282C, ARG312A, GLN288A, GLU257C, GLU311A, GLY253A, LEU315A, LYS289A, LYS289C, PRO292A, PRO292C, SER293A, SER295A, SER295C, THR281C, TYR290A, TYR297C, VAL286C, VAL291A
• B-C: ALA255C, ALA28B, ARG254C, ARG312C, ARG320C, ARG365C, ARG54B, ASN25B, ASP21B, ASP39B, ASP52B, ASP58B, GLN256C, GLN288C, GLN31B, GLU18B, GLU24B, GLU257C, GLU316C, GLU366C, GLU51B, GLY252C, GLY253C, GLY53B, ILE23B, LEU258C, LEU315C, LEU56B, LYS27B, LYS289C, PRO19B, PRO292C, PRO37B, PRO38B, SER20B, SER293C, SER57B, THR22B, THR55B, TYR290C, TYR59B, VAL286C, VAL291C
• B-D: ARG54D, ASN60B, ASN60D, ASP52D, ASP58B, ASP58D, GLN62B, GLU18B, GLU51D, GLY53D, HIS0B, ILE61B, ILE61D, LEU56B, LEU56D, LYS48D, MET1B, PRO19B, PRO19D, SER20B, SER20D, SER57B, SER57D, THR55B, THR55D, TYR59B, TYR59D
• C-D: ALA302C, ALA434C, ALA468C, ALA46D, ARG312C, ARG361C, ARG365C, ARG42D, ARG439C, ARG441C, ARG465C, ARG470C, ARG72D, ARG74D, ASN216C, ASN219C, ASN224C, ASN318C, ASN421C, ASN433C, ASN464C, ASN509C, ASN60D, ASP301C, ASP32D, ASP399C, ASP438C, ASP534C, CYS221C, CYS381C, CYS398C, CYS419C, CYS437C, GLN299C, GLN2D, GLN300C, GLN303C, GLN377C, GLN40D, GLN41D, GLN442C, GLN49D, GLN62D, GLU16D, GLU304C, GLU311C, GLU34D, GLU366C, GLU395C, GLU426C, GLU427C, GLU428C, GLU430C, GLU432C, GLU51D, GLU549C, GLY10D, GLY218C, GLY35D, GLY471C, GLY47D, GLY512C, GLY517C, GLY550C, GLY75D, GLY76D, HIS0D, HIS314C, HIS462C, HIS510C, HIS515C, HIS518C, ILE13D, ILE36D, ILE3D, ILE404C, ILE44D, ILE473C, ILE61D, LEU15D, LEU217C, LEU223C, LEU306C, LEU308C, LEU315C, LEU378C, LEU382C, LEU400C, LEU402C, LEU422C, LEU429C, LEU43D, LEU450C, LEU463C, LEU50D, LEU67D, LEU69D, LEU70D, LEU71D, LEU73D, LEU8D, LYS11D, LYS307C, LYS33D, LYS406C, LYS425C, LYS443C, LYS448C, LYS449C, LYS474C, LYS475C, LYS48D, LYS63D, LYS6D, MET1D, MET310C, PHE222C, PHE294C, PHE305C, PHE394C, PHE397C, PHE423C, PHE45D, PHE466C, PHE4D, PHE68D, PRO292C, PRO37D, PRO403C, PRO405C, PRO435C, SER293C, SER298C, SER380C, SER391C, SER401C, SER431C, SER446C, SER467C, SER469C, SER472C, SER476C, SER477C, SER511C, SER513C, SER65D, THR12D, THR14D, THR220C, THR392C, THR393C, THR424C, THR447C, THR66D, THR7D, THR9D, TRP64D, TYR297C, TYR362C, TYR389C, TYR516C, TYR519C, TYR551C, TYR59D, VAL291C, VAL375C, VAL396C, VAL436C, VAL514C, VAL552C, VAL5D