3HQI

structures of spop-substrate complexes: insights into molecular architectures of btb-cul3 ubiquitin ligases: spopmathx/btb/3-box-pucsbc1

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 37
  • Norm. En. per Res.: -4.684
• 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	-177.8664	-100.5912	-631.528	-909.9856	239	49	20	26477	4	61	59
A-C	-57.488	0.0	-115.82	-173.308	37	6	2	4029	0	5	3
B-D	-35.4115	0.0	-128.314	-163.7255	40	10	2	4478	0	6	3

Interface residues

• A-B: ALA187A, ALA187B, ALA213A, ALA213B, ALA216A, ALA216B, ALA219A, ALA219B, ALA220A, ALA220B, ALA227A, ALA227B, ALA263A, ALA281A, ALA281B, ALA292A, ALA292B, ARG185A, ARG185B, ARG198A, ARG198B, ARG221A, ARG221B, ARG284A, ARG284B, ARG45B, ASN169A, ASN174A, ASN177A, ASN177B, ASN265A, ASN296A, ASN296B, ASN39B, ASN40B, ASN62A, ASN72B, ASP153B, ASP166A, ASP188A, ASP188B, ASP201A, ASP201B, ASP267A, ASP291A, ASP291B, ASP315A, ASP315B, ASP323B, CYS159B, CYS184A, CYS184B, CYS256A, CYS256B, CYS289A, CYS289B, CYS294A, CYS294B, CYS44B, CYS68B, GLN127B, GLN165A, GLN165B, GLN173A, GLN316A, GLN316B, GLN320A, GLN320B, GLU160B, GLU183A, GLU183B, GLU189A, GLU189B, GLU230A, GLU230B, GLU283A, GLU283B, GLU290A, GLU290B, GLU46B, GLU47B, GLU50B, GLY172A, GLY191A, GLY191B, GLY192A, GLY192B, GLY261A, GLY261B, GLY26A, GLY26B, GLY60B, HIS214A, HIS214B, HIS231A, HIS231B, HIS328A, ILE170A, ILE217A, ILE217B, ILE258A, ILE258B, ILE38B, ILE52B, LEU157B, LEU186A, LEU186B, LEU190A, LEU190B, LEU193A, LEU193B, LEU218A, LEU218B, LEU266A, LEU282A, LEU282B, LEU285A, LEU285B, LEU293A, LEU293B, LEU297A, LEU297B, LEU317A, LEU317B, LEU69B, LYS154B, LYS180A, LYS180B, LYS215A, LYS215B, LYS238A, LYS262A, LYS262B, LYS268A, LYS286A, LYS286B, LYS28A, LYS28B, LYS318B, LYS31A, LYS31B, LYS53B, LYS64B, LYS66B, LYS95B, MET176A, MET178A, MET178B, MET228A, MET228B, MET288A, MET288B, MET35B, PHE158B, PHE199A, PHE199B, PHE225A, PHE225B, PHE229A, PHE229B, PHE257A, PHE257B, PHE324A, PHE32A, PHE32B, PHE41B, PHE43B, PHE57B, PRO182A, PRO182B, PRO223A, PRO223B, PRO264A, PRO73B, PRO94B, SER162A, SER162B, SER167A, SER167B, SER171A, SER222A, SER222B, SER226A, SER226B, SER27A, SER27B, SER295A, SER295B, SER298A, SER33A, SER33B, SER42B, SER54B, SER55B, SER58A, SER58B, SER59A, SER59B, SER92B, THR156B, THR175A, THR200A, THR200B, THR260A, THR260B, THR319A, THR319B, THR37B, THR56B, TRP194A, TRP194B, TRP36B, TRP67B, TYR259A, TYR259B, TYR327A, TYR34B, VAL161A, VAL161B, VAL163A, VAL163B, VAL164A, VAL164B, VAL168A, VAL168B, VAL179A, VAL179B, VAL181A, VAL181B, VAL287A, VAL287B, VAL299A, VAL29A, VAL29B, VAL30A, VAL30B, VAL51B, VAL71B, VAL91B
• A-C: ALA100A, ALA122A, ARG121A, ARG124A, ARG70A, ASN72A, ASP130A, GLN120A, GLU118A, GLU97C, GLY128A, GLY132A, LEU76A, LEU86A, LEU88A, LEU89A, LYS101A, LYS129A, LYS134A, LYS135A, MET117A, PHE102A, PHE104A, PHE125A, PHE133A, PHE136A, SER100C, SER119A, SER85A, THR101C, THR102C, THR99C, TRP131A, TYR123A, TYR87A, VAL51A, VAL98C
• B-D: ALA100B, ALA122B, ARG121B, ARG124B, ARG70B, ASN72B, ASP130B, GLN120B, GLN127B, GLU118B, GLU97D, GLY128B, GLY132B, LEU76B, LEU86B, LEU88B, LEU89B, LEU90B, LYS101B, LYS129B, LYS134B, LYS135B, MET117B, PHE102B, PHE104B, PHE125B, PHE133B, PHE136B, SER100D, SER119B, SER85B, THR101D, THR102D, THR99D, TRP131B, TYR123B, TYR87B, VAL126B, VAL51B, VAL98D