3K4U

crystal structure of putative binding component of abc transporter from wolinella succinogenes dsm 1740 complexed with lysine

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 63
  • Norm. En. per Res.: -3.4702
• 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	-34.634	-13.2307	-154.415	-202.2797	62	5	0	5258	0	16	13
A-C	0.0	-20.0649	-25.9394	-46.0043	38	1	0	1479	2	22	15
A-E	-24.4576	-16.2015	-152.157	-192.8161	62	4	0	5286	0	15	13
B-C	-11.8735	-16.2635	-21.6447	-49.7817	22	1	0	945	1	16	13
B-E	-27.8448	-16.506	-134.747	-179.0978	60	4	0	5001	1	15	15
C-D	-43.3264	-12.8997	-162.399	-218.6251	63	5	0	5393	0	17	13
C-E	0.0	0.0	-1.5079	-1.5079	17	0	0	263	0	5	9
C-F	-40.3485	-14.88	-152.423	-207.6515	62	4	0	5197	0	15	13
D-F	-32.3054	-15.2958	-152.521	-200.1222	65	6	0	5278	1	16	13

Interface residues

• A-B: ALA192A, ALA209B, ALA37B, ALA39B, ARG130A, ARG2B, ARG76A, ARG79A, ASN202B, ASN205A, ASN205B, ASN77A, ASN81A, ASP197A, ASP197B, ASP199A, ASP199B, ASP214B, GLN210B, GLN74A, GLU187A, GLU35B, GLU75A, GLU84A, GLU84B, GLY190A, GLY196A, GLY196B, GLY215B, GLY41B, HIS206B, HIS213B, ILE193A, ILE211B, ILE72A, LEU1B, LEU201A, LEU201B, LEU204B, LEU208B, LEU78A, LYS194A, LYS195A, LYS212B, LYS38B, PHE200B, PHE207B, PHE82A, PRO188A, PRO198A, PRO198B, PRO85A, SER73A, THR185A, THR71A, TRP191A, TRP203B, TYR186A, VAL42B, VAL80A, VAL83A, VAL88A
• A-C: ASP108C, ASP156C, ASP181A, ASP218A, GLU100C, GLU113C, GLU187A, GLU219A, GLU222A, GLU84A, GLY102C, GLY153C, GLY215A, GLY98C, HIS213A, ILE87A, LEU162A, LEU99C, LYS101C, LYS104C, LYS111C, LYS212A, LYS96C, LYS97C, PHE225A, PRO112C, PRO85A, SER105C, SER183A, THR182A, THR185A, TYR186A, TYR217A, TYR221A, VAL103C, VAL166A, VAL226A, VAL88A
• A-E: ALA192E, ALA209A, ALA37A, ALA39A, ARG130E, ARG2A, ARG76E, ARG79E, ASN202A, ASN205A, ASN205E, ASN77E, ASN81E, ASP197A, ASP197E, ASP199A, ASP199E, ASP214A, GLN210A, GLN74E, GLU187E, GLU35A, GLU75E, GLU84A, GLU84E, GLY190E, GLY196A, GLY196E, GLY215A, GLY41A, HIS206A, HIS213A, ILE193E, ILE211A, ILE72E, LEU1A, LEU201A, LEU201E, LEU204A, LEU208A, LEU78E, LYS194E, LYS195E, LYS212A, LYS38A, PHE200A, PHE207A, PHE82E, PRO188E, PRO198A, PRO198E, PRO85E, SER73E, THR185E, THR71E, TRP191E, TRP203A, TYR186E, VAL42A, VAL80E, VAL83E, VAL88E
• B-C: ALA209B, ASN134C, ASP110C, ASP214B, ASP218B, GLN210B, GLU113C, GLY215B, HIS213B, ILE211B, LEU114C, LEU208B, LYS111C, LYS133C, LYS136C, LYS138C, LYS212B, PRO112C, PRO85B, TYR186B, TYR217B, VAL88B
• B-E: ALA192B, ALA209E, ALA37E, ALA39E, ARG130B, ARG2E, ARG76B, ARG79B, ASN202E, ASN205B, ASN205E, ASN77B, ASN81B, ASP197B, ASP197E, ASP199B, ASP199E, ASP214E, GLN210E, GLN74B, GLU187B, GLU35E, GLU75B, GLU84B, GLU84E, GLY190B, GLY196B, GLY196E, GLY41E, HIS206E, HIS213E, ILE193B, ILE211E, ILE72B, LEU1E, LEU201B, LEU201E, LEU204E, LEU208E, LEU78B, LYS194B, LYS195B, LYS38E, PHE200E, PHE207E, PHE82B, PRO188B, PRO198B, PRO198E, PRO85B, SER0E, SER73B, THR71B, TRP191B, TRP203E, TYR186B, VAL42E, VAL80B, VAL83B, VAL88B
• C-D: ALA192C, ALA209D, ALA37D, ALA39D, ARG130C, ARG2D, ARG76C, ARG79C, ASN202D, ASN205C, ASN205D, ASN77C, ASN81C, ASP197C, ASP197D, ASP199C, ASP199D, ASP214D, GLN210D, GLN74C, GLU187C, GLU35D, GLU75C, GLU84C, GLU84D, GLY190C, GLY196C, GLY196D, GLY215D, GLY41D, HIS206D, HIS213D, ILE193C, ILE211D, ILE72C, LEU1D, LEU201C, LEU201D, LEU204D, LEU208D, LEU78C, LYS194C, LYS195C, LYS212D, LYS38D, PHE200D, PHE207D, PHE82C, PRO188C, PRO198C, PRO198D, PRO85C, SER73C, THR185C, THR71C, TRP191C, TRP203D, TYR186C, VAL42D, VAL80C, VAL83C, VAL88C, VAL89C
• C-E: ASN152C, ASP218E, GLU222E, GLY153C, HIS213E, LYS136C, LYS138C, LYS154C, LYS212E, LYS96C, SER183E, THR182E, TYR176C, TYR186E, TYR217E, TYR221E, VAL88E
• C-F: ALA192F, ALA209C, ALA37C, ALA39C, ARG130F, ARG2C, ARG76F, ARG79F, ASN202C, ASN205C, ASN205F, ASN77F, ASN81F, ASP197C, ASP197F, ASP199C, ASP199F, ASP214C, GLN210C, GLN74F, GLU187F, GLU35C, GLU75F, GLU84C, GLU84F, GLY190F, GLY196C, GLY196F, GLY215C, GLY41C, HIS206C, HIS213C, ILE193F, ILE211C, ILE72F, LEU1C, LEU201C, LEU201F, LEU204C, LEU208C, LEU78F, LYS194F, LYS195F, LYS212C, LYS38C, PHE200C, PHE207C, PHE82F, PRO188F, PRO198C, PRO198F, PRO85F, SER73F, THR185F, THR71F, TRP191F, TRP203C, TYR186F, VAL42C, VAL80F, VAL83F, VAL88F
• D-F: ALA192D, ALA209F, ALA37F, ALA39F, ARG130D, ARG2F, ARG76D, ARG79D, ASN202F, ASN205D, ASN205F, ASN77D, ASN81D, ASP197D, ASP197F, ASP199D, ASP199F, ASP214F, GLN210F, GLN74D, GLU187D, GLU35F, GLU75D, GLU84D, GLU84F, GLY190D, GLY196D, GLY196F, GLY215F, GLY41F, HIS206F, HIS213F, ILE193D, ILE211F, ILE72D, LEU189D, LEU1F, LEU201D, LEU201F, LEU204F, LEU208F, LEU5F, LEU78D, LYS194D, LYS195D, LYS212F, LYS38F, PHE200F, PHE207F, PHE82D, PRO188D, PRO198D, PRO198F, PRO85D, SER73D, THR185D, THR71D, TRP191D, TRP203F, TYR186D, VAL42F, VAL80D, VAL83D, VAL88D, VAL89D