3DVG

crystal structure of k63-specific fab apu.3a8 bound to k63-linked di- ubiquitin

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-Y
  • Int. Res.: 54
  • Norm. En. per Res.: -3.7715
• 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	-34.3524	-23.9148	-575.771	-634.0381	207	17	18	22013	2	16	16
A-X	0.0	-46.7557	-73.4769	-120.2326	45	5	0	3260	2	10	3
A-Y	0.0	0.0	-17.5072	-17.5072	14	0	0	532	0	0	0
B-X	0.0	0.0	-70.9116	-70.9116	22	5	0	2090	0	1	1
B-Y	-8.3839	-31.3617	-163.915	-203.6606	54	8	4	6259	2	6	10
X-Y	-22.1291	-18.2688	-2.092	-42.4899	34	16	0	1921	2	11	8

Interface residues

• A-B: ALA106B, ALA132A, ALA132B, ALA143B, ALA144B, ALA175B, ALA32A, ALA34A, ALA40B, ALA43A, ALA49B, ALA51A, ALA61B, ALA97B, ARG102B, ARG144A, ARG38B, ARG98B, ASN139A, ASN140A, ASN160A, ASN212A, ASP108B, ASP124A, ASP151B, ASP169A, ASP172A, ASP62B, CYS136A, CYS147B, CYS88A, CYS96B, GLN102A, GLN112B, GLN126A, GLN162A, GLN168A, GLN178B, GLN37A, GLN38A, GLN39B, GLN6A, GLN89A, GLN90A, GLU125A, GLU163A, GLU167A, GLU46B, GLU6B, GLU89B, GLU99B, GLY101A, GLY103A, GLY111B, GLY113B, GLY140B, GLY146B, GLY159A, GLY169B, GLY181B, GLY41A, GLY42B, GLY44B, GLY57A, HIS171B, HIS35B, ILE107B, ILE119A, ILE48A, LEU127A, LEU131B, LEU137A, LEU138A, LEU145B, LEU148B, LEU177A, LEU177B, LEU181A, LEU182B, LEU183A, LEU185B, LEU33B, LEU45B, LEU46A, LEU47A, LEU54A, LEU97A, LYS105A, LYS128A, LYS136B, LYS150B, LYS171A, LYS209A, LYS216B, LYS217B, LYS221B, LYS39A, LYS42A, LYS43B, LYS45A, LYS65B, PHE100A, PHE118A, PHE120A, PHE129B, PHE141A, PHE173B, PHE211A, PHE98A, PRO121A, PRO122A, PRO130B, PRO133B, PRO174B, PRO220B, PRO40A, PRO41B, PRO44A, PRO8A, SER116A, SER123A, SER127B, SER129A, SER133A, SER134B, SER135B, SER137B, SER139B, SER161A, SER164A, SER168B, SER170A, SER176A, SER178A, SER179A, SER179B, SER180B, SER184B, SER186B, SER187B, SER210A, SER30A, SER31A, SER50A, SER53A, SER56A, SER59B, SER63B, SER7A, SER92A, SER93A, SER95A, SER96A, THR105B, THR131A, THR138B, THR142B, THR166A, THR172B, THR174A, THR180A, THR182A, THR190B, THR58B, THR5A, THR85A, THR99A, TRP103B, TRP110B, TRP35A, TRP36B, TRP47B, TYR100B, TYR101B, TYR104B, TYR109B, TYR175A, TYR183B, TYR194A, TYR36A, TYR49A, TYR50B, TYR55A, TYR60B, TYR86A, TYR87A, TYR91A, TYR95B, VAL117A, VAL128B, VAL134A, VAL135A, VAL149B, VAL165A, VAL170B, VAL176B, VAL188B, VAL189B, VAL193A, VAL214B, VAL218B, VAL29A, VAL2B, VAL33A, VAL37B, VAL48B, VAL93B
• A-X: ALA32A, ALA51A, ARG52A, ARG54X, ARG66A, ASN25X, ASN60X, ASP21X, ASP58X, GLN27A, GLN62X, GLU18X, GLY53X, GLY64A, HIS0X, ILE23X, ILE48A, ILE61X, LEU54A, LEU56X, LYS29X, LYS63X, PHE71A, PRO19X, SER-1X, SER20X, SER26A, SER28A, SER30A, SER31A, SER50A, SER53A, SER57X, SER65A, SER92A, SER93A, THR22X, THR55X, TYR49A, TYR59X, TYR91A, TYR94A, VAL17X, VAL29A, VAL33A
• A-Y: ALA32A, ARG74Y, GLN89A, GLY75Y, GLY76Y, LEU97A, PHE98A, SER30A, SER50A, SER92A, SER93A, SER95A, SER96A, TYR91A
• B-X: ARG102B, ARG54X, ASN60X, ASP58X, GLN62X, GLU18X, ILE61X, LEU56X, LYS48X, LYS63X, MET1X, PHE45X, PRO19X, SER20X, SER57X, THR105B, THR55X, TRP103B, TYR100B, TYR101B, TYR104B, TYR59X
• B-Y: ALA106B, ARG102B, ARG72Y, ARG74Y, ARG98B, ASN28B, ASP32Y, ASP39Y, GLN31Y, GLN40Y, GLN41Y, GLU34Y, GLU99B, GLY10Y, GLY32B, GLY35Y, GLY56B, GLY75Y, GLY76Y, HIS35B, ILE107B, ILE13Y, ILE30Y, ILE34B, ILE36Y, ILE51B, LEU33B, LEU69Y, LEU71Y, LEU73Y, LEU8Y, LYS11Y, LYS30B, LYS33Y, PRO37Y, PRO38Y, PRO53B, SER57B, SER59B, THR105B, THR31B, THR52B, THR7Y, THR9Y, TRP103B, TRP47B, TYR100B, TYR101B, TYR104B, TYR50B, TYR54B, TYR55B, VAL29B, VAL70Y
• X-Y: ARG42Y, ARG54Y, ARG72Y, ARG74Y, ASN60X, ASP39Y, GLN2X, GLN40Y, GLN49Y, GLN62X, GLU18X, GLU51Y, GLU64X, GLY75Y, GLY76Y, HIS0X, HIS68X, ILE3X, ILE44Y, ILE61X, LYS48Y, LYS63X, LYS6X, MET1X, PHE45X, PHE4X, PRO19X, SER-1X, SER20X, SER57X, SER65X, THR66X, VAL17X, VAL70Y