3I3T

crystal structure of covalent ubiquitin-usp21 complex

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 160
  • Norm. En. per Res.: -4.5392
• Hub Node: A(4)

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-C	-12.0356	-1.0433	-136.577	-149.656	73	7	3	5502	0	16	16
A-B	-117.5665	-114.6258	-459.184	-691.3763	161	37	9	18923	6	52	53
A-D	0.0	0.0	-0.0329	-0.0329	5	0	0	20	0	2	2
A-F	-9.6036	-0.8536	-31.1929	-41.6502	28	6	0	1532	0	9	2
C-E	0.0	-0.9497	-1.9776	-2.9274	28	16	0	1895	0	9	9
C-B	0.0	0.0	-0.0273	-0.0273	5	0	0	15	0	2	2
C-D	-121.6051	-118.4682	-486.203	-726.2763	160	33	10	19246	7	52	54
C-F	0.0	0.0	-6.9216	-6.9216	15	0	0	373	0	4	3
E-G	-6.3895	-1.5599	-136.266	-144.2154	75	10	3	5446	0	16	16
E-D	-7.0667	-1.3137	-5.8831	-14.2635	26	13	0	1619	2	15	10
E-F	-135.3078	-112.1255	-475.222	-722.6552	165	44	10	19511	6	51	55
E-H	0.0	0.0	-0.0282	-0.0282	5	0	0	17	0	2	2
G-F	0.0	0.0	-0.0199	-0.0199	4	0	0	14	0	2	1
G-H	-116.4565	-110.1992	-455.44	-682.0956	163	34	8	18782	5	52	55
B-F	0.0	6.0268	-0.0164	6.0105	8	0	0	13	0	2	10

Interface residues

• A-C: ALA277A, ALA277C, ARG215A, ARG215C, ARG284A, ARG284C, ARG536A, ARG536C, ASN216A, ASN216C, ASN219A, ASN219C, ASN224A, ASN224C, ASN279A, ASN279C, ASN533A, ASN533C, ASP534A, ASP534C, CYS221C, CYS275A, CYS275C, GLN299A, GLN299C, GLU276A, GLU276C, GLY213A, GLY213C, GLY218A, GLY218C, GLY296A, GLY512A, GLY512C, GLY517A, GLY517C, HIS510A, HIS510C, HIS515A, HIS515C, HIS518A, HIS518C, LEU214A, LEU214C, LEU217A, LEU217C, LYS474A, LYS474C, SER274A, SER274C, SER298A, SER298C, SER511A, SER511C, SER513A, SER513C, SER535A, SER535C, SER538C, THR220A, THR220C, THR520A, THR520C, TYR297A, TYR297C, TYR516A, TYR516C, VAL212A, VAL212C, VAL278A, VAL278C, VAL514C, VAL537C
• A-B: ALA302A, ALA434A, ALA468A, ALA46B, ARG312A, ARG365A, ARG390A, ARG42B, ARG439A, ARG441A, ARG465A, ARG470A, ARG72B, ARG74B, ASN219A, ASN421A, ASN433A, ASN464A, ASN509A, ASN60B, ASP301A, ASP32B, ASP399A, ASP438A, CYS221A, CYS381A, CYS398A, CYS437A, CYS508A, GLN299A, GLN2B, GLN300A, GLN303A, GLN31B, GLN377A, GLN40B, GLN49B, GLN62B, GLU16B, GLU304A, GLU311A, GLU34B, GLU366A, GLU395A, GLU427A, GLU428A, GLU430A, GLU432A, GLU51B, GLU549A, GLU64B, GLY10B, GLY35B, GLY376A, GLY471A, GLY47B, GLY512A, GLY517A, GLY550A, GLY75B, HIS314A, HIS462A, HIS510A, HIS515A, HIS518A, HIS68B, ILE13B, ILE36B, ILE3B, ILE404A, ILE44B, ILE473A, ILE61B, LEU15B, LEU223A, LEU306A, LEU308A, LEU315A, LEU378A, LEU382A, LEU400A, LEU402A, LEU422A, LEU429A, LEU43B, LEU450A, LEU463A, LEU50B, LEU67B, LEU69B, LEU71B, LEU73B, LEU8B, LYS11B, LYS307A, LYS33B, LYS406A, LYS425A, LYS443A, LYS448A, LYS449A, LYS474A, LYS475A, LYS48B, LYS63B, LYS6B, MET310A, MET358A, PHE222A, PHE294A, PHE305A, PHE394A, PHE397A, PHE420A, PHE423A, PHE45B, PHE466A, PHE4B, PRO292A, PRO37B, PRO403A, PRO405A, PRO435A, SER293A, SER298A, SER380A, SER391A, SER401A, SER431A, SER446A, SER467A, SER469A, SER472A, SER476A, SER477A, SER511A, SER513A, SER65B, THR12B, THR14B, THR220A, THR392A, THR393A, THR424A, THR66B, THR7B, THR9B, TYR362A, TYR389A, TYR516A, TYR519A, TYR551A, TYR59B, VAL291A, VAL375A, VAL396A, VAL436A, VAL514A, VAL552A, VAL5B, VAL70B
• A-D: ARG215A, ARG74D, ASN216A, GLY75D, SER535A
• A-F: ALA28F, ARG54F, ASN25F, ASP21F, ASP32F, ASP52F, GLN288A, GLN31F, GLU18F, GLU24F, GLY296A, GLY53F, ILE23F, LYS27F, LYS289A, LYS29F, PHE294A, PRO292A, PRO38F, SER20F, SER293A, SER295A, SER298A, THR22F, THR55F, TYR297A, VAL26F, VAL291A
• C-E: ARG312C, ARG312E, GLN256E, GLN288C, GLN288E, GLU257C, GLU257E, GLU311E, GLU316E, GLY296C, LEU258E, LEU308C, LEU315C, LEU315E, LYS289C, LYS289E, PHE287E, PHE294C, PRO292C, PRO292E, SER293C, SER293E, SER295C, TYR290C, TYR290E, VAL286E, VAL291C, VAL291E
• C-B: ARG215C, ARG74B, ASN216C, GLY75B, SER535C
• C-D: ALA302C, ALA434C, ALA468C, ALA46D, ARG312C, ARG365C, ARG390C, ARG42D, ARG439C, ARG465C, ARG470C, ARG72D, ARG74D, ASN219C, ASN421C, ASN433C, ASN464C, ASN509C, ASN60D, ASP301C, ASP32D, ASP399C, ASP438C, CYS221C, CYS381C, CYS398C, CYS419C, CYS437C, CYS508C, GLN299C, GLN2D, GLN300C, GLN303C, GLN31D, GLN377C, GLN40D, GLN49D, GLN62D, GLU16D, GLU304C, GLU311C, GLU34D, GLU366C, GLU395C, GLU427C, GLU428C, GLU430C, GLU432C, GLU51D, GLU549C, GLU64D, GLY10D, GLY35D, GLY376C, GLY471C, GLY47D, GLY512C, GLY517C, GLY550C, GLY75D, HIS314C, HIS462C, HIS510C, HIS515C, HIS518C, HIS68D, ILE13D, ILE36D, ILE3D, ILE404C, ILE44D, ILE473C, ILE61D, LEU15D, LEU223C, LEU306C, LEU308C, LEU315C, LEU378C, LEU382C, LEU400C, LEU402C, LEU422C, LEU429C, LEU43D, LEU450C, LEU463C, LEU50D, LEU67D, LEU69D, LEU71D, LEU73D, LEU8D, LYS11D, LYS307C, LYS33D, LYS406C, LYS425C, LYS443C, LYS448C, LYS449C, LYS474C, LYS475C, LYS48D, LYS63D, LYS6D, MET310C, MET358C, PHE222C, PHE294C, PHE305C, PHE394C, PHE397C, PHE423C, PHE45D, PHE466C, PHE4D, 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, THR66D, THR7D, THR9D, TYR362C, TYR389C, TYR516C, TYR519C, TYR551C, TYR59D, VAL291C, VAL375C, VAL396C, VAL436C, VAL514C, VAL552C, VAL5D, VAL70D
• C-F: ARG284C, ARG54F, ASP52F, ASP58F, GLN288C, GLU51F, GLY296C, GLY53F, LYS289C, LYS48F, SER295C, THR22F, THR281C, THR55F, TYR297C
• E-G: ALA277E, ALA277G, ARG215E, ARG215G, ARG284E, ARG284G, ARG536E, ARG536G, ASN216E, ASN216G, ASN219E, ASN219G, ASN224E, ASN279E, ASN279G, ASN533E, ASN533G, ASP534E, ASP534G, CYS221E, CYS275E, CYS275G, GLN299E, GLN299G, GLU276E, GLU276G, GLY213E, GLY213G, GLY218E, GLY218G, GLY296E, GLY296G, GLY512E, GLY512G, GLY517E, GLY517G, HIS510E, HIS510G, HIS515E, HIS515G, HIS518E, HIS518G, LEU214E, LEU214G, LEU217E, LEU217G, LYS474E, LYS474G, SER274E, SER274G, SER298E, SER298G, SER511E, SER511G, SER513E, SER513G, SER535E, SER535G, SER538E, THR220E, THR220G, THR520E, THR520G, TYR297E, TYR297G, TYR516E, TYR516G, VAL212E, VAL212G, VAL278E, VAL278G, VAL514E, VAL514G, VAL537E, VAL537G
• E-D: ALA261E, ALA285E, ARG282E, ARG284E, ARG54D, ARG72D, ASP52D, ASP58D, GLN288E, GLN49D, GLU24D, GLU257E, GLU51D, GLY53D, ILE23D, LEU50D, LYS289E, PHE283E, PHE287E, THR22D, THR281E, THR55D, TYR290E, TYR297E, TYR59D, VAL286E
• E-F: ALA302E, ALA434E, ALA468E, ALA46F, ARG312E, ARG365E, ARG390E, ARG42F, ARG439E, ARG441E, ARG465E, ARG470E, ARG72F, ARG74F, ASN219E, ASN421E, ASN433E, ASN464E, ASN509E, ASN60F, ASP301E, ASP32F, ASP399E, ASP438E, CYS221E, CYS381E, CYS398E, CYS419E, CYS437E, CYS508E, GLN299E, GLN2F, GLN300E, GLN303E, GLN31F, GLN377E, GLN40F, GLN41F, GLN442E, GLN49F, GLN62F, GLU16F, GLU304E, GLU311E, GLU34F, GLU366E, GLU395E, GLU427E, GLU428E, GLU430E, GLU432E, GLU51F, GLU549E, GLU64F, GLY10F, GLY35F, GLY376E, GLY471E, GLY47F, GLY512E, GLY517E, GLY550E, GLY75F, HIS314E, HIS462E, HIS510E, HIS515E, HIS518E, HIS68F, ILE13F, ILE36F, ILE3F, ILE404E, ILE44F, ILE473E, ILE61F, LEU15F, LEU223E, LEU306E, LEU308E, LEU315E, LEU378E, LEU382E, LEU400E, LEU402E, LEU422E, LEU429E, LEU43F, LEU450E, LEU463E, LEU50F, LEU67F, LEU69F, LEU71F, LEU73F, LEU8F, LYS11F, LYS307E, LYS33F, LYS379E, LYS406E, LYS425E, LYS443E, LYS448E, LYS449E, LYS474E, LYS475E, LYS48F, LYS63F, LYS6F, MET1F, MET310E, MET358E, PHE222E, PHE294E, PHE305E, PHE394E, PHE397E, PHE423E, PHE45F, PHE466E, PHE4F, PRO292E, PRO37F, PRO403E, PRO405E, PRO435E, SER293E, SER298E, SER380E, SER391E, SER401E, SER431E, SER446E, SER467E, SER469E, SER472E, SER476E, SER477E, SER511E, SER513E, SER65F, THR12F, THR14F, THR220E, THR392E, THR393E, THR424E, THR66F, THR7F, THR9F, TYR362E, TYR389E, TYR516E, TYR519E, TYR551E, TYR59F, VAL291E, VAL375E, VAL396E, VAL436E, VAL514E, VAL552E, VAL5F, VAL70F
• E-H: ARG215E, ARG74H, ASN216E, GLY75H, SER535E
• G-F: ARG215G, ARG74F, ASN216G, GLY75F
• G-H: ALA302G, ALA434G, ALA468G, ALA46H, ARG312G, ARG365G, ARG390G, ARG42H, ARG439G, ARG441G, ARG465G, ARG470G, ARG72H, ARG74H, ASN219G, ASN421G, ASN433G, ASN464G, ASN509G, ASN60H, ASP301G, ASP32H, ASP399G, ASP438G, ASP58H, CYS221G, CYS381G, CYS398G, CYS419G, CYS437G, CYS508G, GLN299G, GLN2H, GLN300G, GLN303G, GLN31H, GLN377G, GLN40H, GLN49H, GLN62H, GLU16H, GLU304G, GLU311G, GLU34H, GLU366G, GLU395G, GLU427G, GLU428G, GLU430G, GLU432G, GLU51H, GLU549G, GLU64H, GLY10H, GLY35H, GLY376G, GLY471G, GLY47H, GLY512G, GLY517G, GLY550G, GLY75H, HIS314G, HIS462G, HIS510G, HIS515G, HIS518G, HIS68H, ILE13H, ILE36H, ILE3H, ILE404G, ILE44H, ILE473G, ILE61H, LEU15H, LEU223G, LEU306G, LEU308G, LEU315G, LEU378G, LEU382G, LEU400G, LEU402G, LEU422G, LEU429G, LEU43H, LEU450G, LEU463G, LEU50H, LEU67H, LEU69H, LEU71H, LEU73H, LEU8H, LYS11H, LYS307G, LYS33H, LYS406G, LYS425G, LYS443G, LYS448G, LYS449G, LYS474G, LYS475G, LYS48H, LYS63H, LYS6H, MET310G, MET358G, PHE222G, PHE294G, PHE305G, PHE394G, PHE397G, PHE420G, PHE423G, PHE45H, PHE466G, PHE4H, PRO292G, PRO37H, PRO403G, PRO405G, PRO435G, SER293G, SER298G, SER380G, SER391G, SER401G, SER431G, SER446G, SER467G, SER469G, SER472G, SER476G, SER477G, SER511G, SER513G, SER65H, THR12H, THR14H, THR220G, THR392G, THR393G, THR424G, THR66H, THR7H, THR9H, TYR362G, TYR389G, TYR516G, TYR519G, TYR551G, TYR59H, VAL291G, VAL375G, VAL396G, VAL436G, VAL514G, VAL552G, VAL5H, VAL70H
• B-F: ARG54B, ARG74B, ASP52B, GLU16F, GLU18F, GLY53B, LYS29F, SER20F