3KUR

crystal structure of the mlle domain of poly(a)-binding protein

• Total interactions analyzed: 28
• Total true interactions: 16
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 59
  • Norm. En. per Res.: -3.7498
• 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	-47.5361	-3.6432	-182.423	-233.6023	64	10	7	7929	0	17	11
A-D	0.0	0.0	-0.4481	-0.4481	6	0	0	70	0	0	0
A-E	0.0	0.9032	-83.2312	-82.328	53	2	0	3890	0	6	11
A-F	0.0	-2.1792	-67.126	-69.3052	46	3	3	3251	0	4	2
B-E	-5.7441	-2.1733	-66.3291	-74.2465	48	0	2	3229	0	4	3
B-F	0.0	0.0	-0.0025	-0.0025	2	0	0	7	0	0	0
C-D	-24.0267	-29.9829	-167.23	-221.2397	59	13	6	7310	3	16	11
C-F	0.0	0.0	-55.6441	-55.6441	41	0	2	2495	0	2	1
C-G	0.0	8.0918	-77.4981	-69.4063	54	3	0	3852	0	6	11
C-H	0.0	0.0	-57.0632	-57.0632	46	1	4	3014	0	3	2
D-F	0.0	0.0	-14.4197	-14.4197	19	0	0	769	0	1	4
D-G	0.0	0.0	-65.3228	-65.3228	49	5	2	3154	0	4	3
D-H	0.0	0.0	-0.0008	-0.0008	2	0	0	2	0	0	0
E-F	-19.5505	-8.1946	-168.037	-195.7821	58	20	6	7584	0	17	12
F-G	0.0	0.0	-23.3946	-23.3946	18	1	0	1046	0	1	1
G-H	-39.2081	-24.3957	-168.807	-232.4109	63	12	6	7427	2	16	11

Interface residues

• A-B: ALA578B, ALA610A, ALA610B, ALA612A, ALA612B, ALA616A, ALA616B, ASN590A, ASN590B, ASP589A, ASP589B, ASP608A, ASP608B, GLN615A, GLN615B, GLU587A, GLU587B, GLU592A, GLU592B, GLU609A, GLU609B, GLY579A, GLY579B, GLY583A, GLY583B, HIS595A, HIS595B, ILE581A, ILE581B, ILE588A, ILE588B, LEU577A, LEU577B, LEU585A, LEU585B, LEU586A, LEU586B, LEU593A, LEU593B, LEU614A, LEU614B, LYS559A, LYS559B, LYS580A, LYS580B, LYS606A, LYS606B, MET584A, MET584B, MET596A, MET596B, SER591A, SER602A, SER602B, SER605A, SER605B, THR582A, THR582B, VAL607A, VAL607B, VAL611A, VAL611B, VAL613A, VAL613B
• A-D: ARG565A, GLU557D, MET549A, PRO544A, PRO554D, PRO555D
• A-E: ALA551A, ALA551E, ALA553A, ALA553E, ASN590A, ASN590E, GLN556A, GLN556E, GLN558A, GLN558E, GLN560A, GLN560E, GLU557A, GLU557E, GLU564A, GLU564E, GLU587A, GLU587E, GLY563A, GLY563E, GLY579A, GLY579E, GLY583A, GLY583E, ILE588A, ILE588E, LEU550A, LEU550E, LEU562A, LEU562E, LEU566A, LEU566E, LEU585A, LEU585E, LEU586A, LEU586E, LEU593A, LEU593E, LYS559A, LYS559E, MET561A, MET561E, MET584A, MET584E, PHE567A, PHE567E, PRO554A, PRO554E, PRO555A, PRO555E, SER552E, THR582A, THR582E
• A-F: ALA547A, ALA551A, ALA553A, ALA578F, ARG565F, ASN590A, ASP589A, GLN556A, GLN556F, GLN558A, GLN558F, GLN560F, GLN571F, GLU557F, GLU564F, GLU587F, GLY563F, GLY579F, GLY583F, ILE581F, LEU545A, LEU550A, LEU562F, LEU566F, LEU577F, LEU585F, LEU586F, LEU594A, LYS559A, LYS559F, LYS580F, MET549A, MET561F, MET584F, PHE567F, PRO544A, PRO554A, PRO555A, PRO568F, PRO575F, SER548A, SER552A, SER591A, THR546A, THR576F, THR582F
• B-E: ALA547E, ALA551E, ALA553E, ALA578B, ARG565B, ASN590E, ASP589E, GLN556B, GLN556E, GLN558B, GLN558E, GLN560B, GLN571B, GLU557B, GLU557E, GLU564B, GLU587B, GLY563B, GLY579B, GLY583B, ILE570B, ILE581B, ILE588E, LEU545E, LEU550E, LEU562B, LEU566B, LEU577B, LEU586B, LEU594E, LYS559B, LYS559E, LYS580B, MET549E, MET561B, MET561E, MET584B, PHE567B, PRO554E, PRO555E, PRO568B, PRO575B, SER548E, SER552E, SER591E, THR546E, THR576B, THR582B
• B-F: LYS580B, LYS580F
• C-D: ALA578D, ALA610C, ALA610D, ALA612C, ALA612D, ASN590C, ASN590D, ASP589C, ASP589D, ASP608C, ASP608D, GLN615C, GLN615D, GLU587C, GLU587D, GLU592C, GLU592D, GLU609C, GLU609D, GLY579C, GLY579D, GLY583C, GLY583D, HIS595D, ILE581C, ILE581D, ILE588C, ILE588D, LEU577C, LEU577D, LEU585C, LEU585D, LEU586C, LEU586D, LEU593C, LEU593D, LEU614C, LEU614D, LYS559C, LYS559D, LYS580C, LYS580D, LYS606C, LYS606D, MET584C, MET584D, MET596C, MET596D, SER602D, SER605C, SER605D, THR582C, THR582D, VAL607C, VAL607D, VAL611C, VAL611D, VAL613C, VAL613D
• C-F: ALA547F, ALA551F, ALA553F, ALA578C, ARG565F, GLN556C, GLN558F, GLN560C, GLN571C, GLU557C, GLU564C, GLU598F, GLY563C, GLY579C, GLY583C, ILE570C, ILE581C, LEU545F, LEU550F, LEU566C, LEU577C, LEU586C, LEU594F, LEU614C, LYS559C, LYS580C, MET549F, MET561C, MET584C, PHE567C, PRO544F, PRO554F, PRO555F, PRO568C, PRO575C, SER548F, SER552F, SER591F, THR546F, THR576C, THR582C
• C-G: ALA551C, ALA551G, ALA553C, ALA553G, ASN590C, ASN590G, ASP589C, ASP589G, GLN556C, GLN556G, GLN558C, GLN558G, GLN560C, GLN560G, GLU557C, GLU557G, GLU564C, GLU564G, GLU587C, GLU587G, GLY563C, GLY563G, GLY579C, GLY579G, GLY583C, GLY583G, ILE588C, ILE588G, LEU550C, LEU550G, LEU562C, LEU562G, LEU566C, LEU566G, LEU585C, LEU585G, LEU586C, LEU586G, LEU593C, LEU593G, LYS559C, LYS559G, MET561C, MET561G, MET584C, MET584G, PHE567C, PHE567G, PRO554C, PRO554G, PRO555C, PRO555G, THR582C, THR582G
• C-H: ALA547C, ALA551C, ALA553C, ALA578H, ARG565C, ARG565H, ASN590C, ASP589C, GLN556C, GLN556H, GLN558C, GLN558H, GLN560H, GLN571H, GLU557C, GLU557H, GLU564H, GLU587H, GLY563H, GLY579H, GLY583H, ILE570H, ILE581H, LEU550C, LEU562H, LEU566H, LEU585H, LEU586H, LEU594C, LYS559H, LYS580H, MET549C, MET561C, MET561H, MET584H, PHE567H, PRO554C, PRO555C, PRO568H, PRO575H, SER548C, SER552C, SER591C, THR546C, THR576H, THR582H
• D-F: ALA553F, ASN590D, ASP589D, GLN556D, GLN556F, GLN558D, GLN558F, GLN560F, GLU557D, GLU557F, GLU587D, LYS559D, MET549F, MET561F, PRO554D, PRO554F, PRO555D, SER548F, SER552F
• D-G: ALA547G, ALA551G, ALA553G, ALA578D, ARG565D, ARG565G, ASN590G, ASP589G, GLN556D, GLN556G, GLN558D, GLN558G, GLN560D, GLN571D, GLU557D, GLU557G, GLU564D, GLU587D, GLY563D, GLY579D, GLY583D, ILE570D, ILE581D, LEU545G, LEU550G, LEU562D, LEU566D, LEU569D, LEU577D, LEU585D, LEU586D, LEU594G, LYS559D, LYS580D, MET549G, MET561D, MET561G, MET584D, PHE567D, PRO554G, PRO555G, PRO568D, PRO575D, SER548G, SER552G, SER591G, THR546G, THR576D, THR582D
• D-H: LYS580D, LYS580H
• E-F: ALA578F, ALA610E, ALA610F, ALA612E, ALA612F, ASN590E, ASN590F, ASP589E, ASP589F, ASP608E, ASP608F, GLN615E, GLN615F, GLU587E, GLU587F, GLU592E, GLU592F, GLU609E, GLU609F, GLY579E, GLY579F, GLY583E, GLY583F, HIS595F, ILE581E, ILE581F, ILE588E, ILE588F, LEU577E, LEU577F, LEU585E, LEU585F, LEU586E, LEU586F, LEU593E, LEU593F, LEU614E, LEU614F, LYS559E, LYS559F, LYS580E, LYS580F, LYS606E, LYS606F, MET584E, MET584F, MET596E, MET596F, SER605E, SER605F, THR582E, THR582F, VAL607E, VAL607F, VAL611E, VAL611F, VAL613E, VAL613F
• F-G: ALA547F, ARG565F, GLN556G, GLN558G, GLN560G, GLU557F, GLU557G, LEU545F, LEU550F, MET549F, MET561F, MET561G, PRO544F, PRO554G, PRO555G, SER548F, SER552F, THR546F
• G-H: ALA578H, ALA610G, ALA610H, ALA612G, ALA612H, ALA616H, ASN590G, ASN590H, ASP589G, ASP589H, ASP608G, ASP608H, GLN615G, GLN615H, GLU587G, GLU587H, GLU592G, GLU592H, GLU609G, GLU609H, GLY579G, GLY579H, GLY583G, GLY583H, HIS595G, ILE581G, ILE581H, ILE588G, ILE588H, LEU577G, LEU577H, LEU585G, LEU585H, LEU586G, LEU586H, LEU593G, LEU593H, LEU614G, LEU614H, LYS559G, LYS559H, LYS580G, LYS580H, LYS606G, LYS606H, MET584G, MET584H, MET596G, MET596H, SER591G, SER591H, SER602G, SER602H, SER605G, SER605H, THR582G, THR582H, VAL607G, VAL607H, VAL611G, VAL611H, VAL613G, VAL613H