1NBF

crystal structure of a ubp-family deubiquitinating enzyme in isolation and in complex with ubiquitin aldehyde

• Total interactions analyzed: 10
• Total true interactions: 9
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 14
  • Norm. En. per Res.: -7.2868
• 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-B	-25.2881	-4.7446	-120.887	-150.9197	79	5	0	4609	3	40	48
A-C	-4.9793	0.0	-20.042	-25.0213	26	0	0	935	1	7	9
A-D	-163.8481	-108.9848	-507.279	-780.1119	161	27	6	19601	7	57	70
A-E	0.0	-6.6907	-13.9804	-20.6711	31	4	0	1224	0	35	28
B-C	-142.8215	-90.6545	-512.112	-745.588	162	33	8	20042	6	57	65
B-D	0.0	0.0	-16.3319	-16.3319	20	1	0	786	0	7	9
B-E	-11.924	2.1483	-37.3068	-47.0825	28	8	0	1890	1	17	18
C-D	-17.255	-71.9702	-12.7896	-102.0148	14	11	0	636	6	4	4
D-E	0.0	-5.5712	-0.2497	-5.821	10	0	0	70	0	3	7

Interface residues

• A-B: ALA381A, ALA381B, ARG325A, ARG340A, ARG340B, ARG343A, ARG343B, ARG344A, ARG344B, ARG543A, ARG543B, ASN309A, ASN309B, ASP250A, ASP250B, ASP251A, ASP251B, ASP338A, ASP338B, ASP342A, ASP342B, ASP346A, ASP346B, ASP380B, CYS315A, CYS315B, GLN333B, GLN539A, GLN539B, GLU248A, GLU248B, GLU317A, GLU317B, GLU345A, GLU345B, GLU383A, GLU383B, GLY249A, GLY249B, GLY313A, GLY313B, GLY318B, GLY382A, GLY382B, HIS384A, HIS384B, LEU396A, LEU396B, LYS310A, LYS310B, LYS312A, LYS312B, LYS327A, LYS327B, MET311A, MET311B, MET328A, MET328B, PRO246A, PRO246B, SER252B, SER253B, SER330A, SER330B, SER341A, SER341B, THR247A, THR247B, THR314A, THR314B, TYR339A, TYR339B, TYR379A, TYR379B, VAL316A, VAL316B, VAL329A, VAL329B, VAL337B
• A-C: ASN306A, ASN309A, ASN360C, ASP250A, ASP251A, GLN362C, GLU248A, GLU308A, GLU317A, GLU364C, GLY249A, GLY313A, LYS310A, LYS312A, LYS363C, MET301C, MET311A, PHE345C, PRO246A, PRO319C, SER255A, SER357C, SER365C, THR247A, THR314A, TYR359C
• A-D: ALA221A, ALA346D, ALA369A, ALA381A, ALA389A, ALA513A, ARG301A, ARG325A, ARG340A, ARG342D, ARG343A, ARG344A, ARG372D, ARG374D, ARG408A, ASN306A, ASN309A, ASN360D, ASN377A, ASN418A, ASN422A, ASN460A, ASN512A, ASP295A, ASP305A, ASP339D, ASP342A, ASP346A, ASP349A, ASP366A, ASP374A, ASP376A, ASP380A, ASP412A, ASP416A, ASP459A, CYS223A, CYS300A, CYS510A, GLN293A, GLN297A, GLN302D, GLN331D, GLN340D, GLN341D, GLN349D, GLN351A, GLN362D, GLN372A, GLN387A, GLN405A, GLN417A, GLU298A, GLU308A, GLU316D, GLU334D, GLU345A, GLU351D, GLU364D, GLU371A, GLU383A, GLY310D, GLY326A, GLY335D, GLY347D, GLY375A, GLY375D, GLY382A, GLY385A, GLY392A, GLY458A, GLY462A, GLY463A, HIS294A, HIS368D, HIS384A, HIS456A, HIS461A, HIS464A, ILE303D, ILE313D, ILE320A, ILE332A, ILE336D, ILE344D, ILE350A, ILE354A, ILE361D, ILE419A, ILE421A, LEU299A, LEU304A, LEU308D, LEU315D, LEU343D, LEU350D, LEU352A, LEU367D, LEU369D, LEU371D, LEU373A, LEU373D, LEU386A, LEU406A, LYS306D, LYS311D, LYS312A, LYS327A, LYS333D, LYS348D, LYS355A, LYS357A, LYS363D, LYS378A, LYS391A, LYS420A, MET225A, MET292A, MET301D, MET328A, MET407A, MET410A, MET515A, PHE304D, PHE324A, PHE345D, PHE409A, PRO321A, PRO337D, PRO413A, SER330A, SER341A, SER353A, SER365D, SER457A, THR222A, THR307D, THR309D, THR312D, THR314D, THR366D, THR415A, TYR224A, TYR331A, TYR339A, TYR347A, TYR348A, TYR359D, TYR367A, TYR379A, TYR411A, TYR465A, TYR514A, VAL296A, VAL302A, VAL305D, VAL307A, VAL368A, VAL370D, VAL393A, VAL455A
• A-E: ALA381A, ARG325E, ARG343E, ARG344E, ASN309E, ASN377A, ASP305E, ASP342E, ASP346E, ASP374A, ASP376A, ASP380A, GLN387A, GLU308E, GLU317E, GLU336A, GLU345E, GLU383A, GLU388A, GLY375A, GLY382A, GLY385A, HIS384A, LEU386A, LEU396E, LYS312E, LYS327E, LYS378A, PRO321E, TYR348E, VAL329E
• B-C: ALA221B, ALA346C, ALA369B, ALA381B, ALA389B, ALA513B, ARG301B, ARG325B, ARG340B, ARG342C, ARG343B, ARG344B, ARG372C, ARG374C, ARG408B, ASN218B, ASN306B, ASN309B, ASN360C, ASN377B, ASN418B, ASN422B, ASN460B, ASN512B, ASP295B, ASP305B, ASP339C, ASP342B, ASP346B, ASP349B, ASP366B, ASP374B, ASP376B, ASP380B, ASP412B, ASP416B, ASP459B, CYS223B, CYS300B, CYS510B, GLN293B, GLN297B, GLN302C, GLN331C, GLN340C, GLN349C, GLN351B, GLN362C, GLN372B, GLN387B, GLN405B, GLN414B, GLN417B, GLU298B, GLU308B, GLU316C, GLU334C, GLU345B, GLU351C, GLU364C, GLU371B, GLY310C, GLY326B, GLY335C, GLY347C, GLY375B, GLY375C, GLY382B, GLY385B, GLY458B, GLY462B, GLY463B, HIS294B, HIS368C, HIS456B, HIS461B, HIS464B, ILE303C, ILE313C, ILE320B, ILE332B, ILE336C, ILE344C, ILE350B, ILE354B, ILE361C, ILE419B, ILE421B, LEU299B, LEU303B, LEU304B, LEU308C, LEU315C, LEU343C, LEU350C, LEU352B, LEU367C, LEU369C, LEU371C, LEU373B, LEU373C, LEU386B, LEU406B, LYS306C, LYS311C, LYS312B, LYS327B, LYS333C, LYS348C, LYS355B, LYS357B, LYS363C, LYS378B, LYS391B, LYS420B, MET225B, MET292B, MET301C, MET328B, MET407B, MET410B, MET515B, PHE304C, PHE324B, PHE345C, PHE364B, PHE395B, PHE409B, PRO321B, PRO337C, PRO413B, SER330B, SER341B, SER353B, SER363B, SER365C, SER457B, THR222B, THR307C, THR309C, THR312C, THR314C, THR366C, TYR224B, TYR331B, TYR339B, TYR347B, TYR348B, TYR359C, TYR367B, TYR379B, TYR411B, TYR465B, TYR514B, VAL296B, VAL302B, VAL305C, VAL307B, VAL368B, VAL370C, VAL393B, VAL455B
• B-D: ASN306B, ASN309B, ASN360D, ASP250B, ASP251B, GLN362D, GLU308B, GLU317B, GLU364D, GLY249B, GLY313B, LYS310B, LYS312B, LYS363D, MET311B, PHE345D, SER357D, SER365D, THR314B, TYR359D
• B-E: ALA381E, ARG340E, ASP251B, ASP289B, ASP338E, ASP342E, CYS334E, GLN333E, GLN387E, GLU286B, GLU336E, GLU383E, GLY284B, HIS384E, ILE332E, LEU288B, LYS254B, LYS281B, PHE283B, SER253B, SER282B, SER341E, THR287B, TRP285B, TYR339E, TYR379E, VAL302B, VAL337E
• C-D: ARG354C, ARG354D, ASN360C, ASN360D, ASP358C, ASP358D, GLY353C, GLY353D, SER357C, SER357D, THR355C, THR355D, TYR359C, TYR359D
• D-E: ALA381E, ARG343E, ASP380E, GLU316D, GLU318D, GLY382E, PRO319D, SER320D, TYR339E, TYR379E