3IGQ

crystal structure of the extracellular domain of a bacterial pentameric ligand-gated ion channel

• Total interactions analyzed: 15
• Total true interactions: 4
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 108
  • Norm. En. per Res.: -2.8397
• Hub Node: A(1)

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	-52.6127	-17.6424	-183.292	-253.5471	97	9	3	8921	2	37	43
B-C	-41.6503	-31.2805	-238.006	-310.9369	113	14	8	11199	3	48	57
D-E	-22.8831	-13.4733	-212.173	-248.5294	106	11	5	10214	2	36	41
E-F	-62.0608	-5.1054	-239.526	-306.6922	108	11	6	11108	3	45	51

Interface residues

• A-B: ALA108A, ALA108B, ALA172B, ALA34A, ALA34B, ALA41A, ALA84B, ALA87A, ARG105A, ARG109A, ARG109B, ARG133B, ARG138B, ARG62A, ARG77B, ARG85B, ASN152A, ASN173B, ASN40A, ASN80B, ASN83B, ASP115B, ASP136B, ASP153A, ASP31A, ASP31B, ASP32A, ASP32B, ASP86A, ASP88A, ASP91A, CYS27A, GLN193A, GLU104A, GLU147A, GLU26A, GLU35B, GLU67A, GLU69A, GLU75B, GLU82B, GLY150A, ILE131B, ILE25A, ILE76B, ILE92A, LEU103A, LEU111B, LEU114B, LEU157A, LEU24A, LEU30A, LYS148A, LYS151A, LYS183B, LYS33B, LYS38A, LYS64A, PHE106A, PHE156A, PHE174B, PHE37A, PHE42A, PHE54A, PHE78B, PRO113B, PRO68A, PRO7B, SER107A, SER112B, SER134B, SER29A, SER44A, SER93A, THR119B, THR137B, THR158A, THR36B, THR65A, TYR102A, TYR129B, TYR23A, TYR28A, TYR66A, VAL110B, VAL132B, VAL135B, VAL149A, VAL155A, VAL39A, VAL61A, VAL63A, VAL79B, VAL81B, VAL89A, VAL90A, VAL94A
• B-C: ALA108B, ALA175C, ALA34B, ALA34C, ALA41B, ALA84C, ALA87B, ARG105B, ARG109B, ARG109C, ARG133C, ARG138C, ARG179C, ARG62B, ARG77C, ARG85C, ASN152B, ASN173C, ASN40B, ASN80C, ASN83C, ASP115C, ASP136C, ASP153B, ASP178C, ASP31B, ASP31C, ASP32B, ASP32C, ASP86B, ASP88B, ASP91B, CYS27B, GLN101B, GLN193B, GLU104B, GLU147B, GLU177C, GLU181C, GLU26B, GLU35C, GLU67B, GLU69B, GLU75C, GLU82C, GLY150B, GLY159B, GLY21B, GLY60B, HIS127C, ILE131C, ILE140C, ILE22B, ILE25B, ILE76C, ILE92B, LEU103B, LEU111C, LEU114C, LEU157B, LEU176C, LEU180C, LEU24B, LEU30B, LEU43B, LEU45B, LYS148B, LYS151B, LYS183C, LYS33C, LYS38B, LYS64B, PHE106B, PHE156B, PHE174C, PHE37B, PHE42B, PHE54B, PHE78C, PRO113C, PRO68B, PRO7C, SER107B, SER112C, SER134C, SER182C, SER29B, SER44B, SER46B, SER93B, THR137C, THR158B, THR36C, THR65B, TRP160B, TYR102B, TYR129C, TYR23B, TYR28B, TYR66B, VAL110C, VAL132C, VAL135C, VAL149B, VAL155B, VAL39B, VAL61B, VAL63B, VAL79C, VAL81C, VAL89B, VAL90B, VAL94B
• D-E: ALA108D, ALA172E, ALA175E, ALA34D, ALA34E, ALA41D, ALA84E, ARG105D, ARG109D, ARG109E, ARG133E, ARG138E, ARG62D, ARG77E, ARG85E, ASN152D, ASN173E, ASN40D, ASN80E, ASN83E, ASP115E, ASP136E, ASP13E, ASP153D, ASP31D, ASP31E, ASP32D, ASP32E, ASP86D, ASP88D, ASP91D, CYS27D, GLN101D, GLN193D, GLU104D, GLU147D, GLU26D, GLU35E, GLU67D, GLU69D, GLU75E, GLU82E, GLY150D, GLY159D, GLY21D, GLY60D, HIS127E, ILE131E, ILE22D, ILE25D, ILE76E, ILE92D, LEU103D, LEU111E, LEU114E, LEU130E, LEU157D, LEU176E, LEU180E, LEU24D, LEU30D, LEU43D, LEU45D, LYS148D, LYS151D, LYS183E, LYS33E, LYS38D, LYS64D, PHE106D, PHE156D, PHE174E, PHE42D, PHE78E, PRO113E, PRO68D, PRO7E, SER107D, SER112E, SER134E, SER29D, SER44D, SER93D, THR137E, THR158D, THR36E, THR65D, TRP160D, TYR102D, TYR129E, TYR23D, TYR28D, TYR66D, VAL110E, VAL132E, VAL135E, VAL149D, VAL155D, VAL39D, VAL61D, VAL63D, VAL79E, VAL81E, VAL89D, VAL90D, VAL94D
• E-F: ALA108E, ALA172F, ALA175F, ALA34E, ALA34F, ALA41E, ALA84F, ALA87E, ARG105E, ARG109E, ARG109F, ARG133F, ARG138F, ARG179F, ARG62E, ARG77F, ARG85F, ASN152E, ASN173F, ASN40E, ASN80F, ASN83F, ASP115F, ASP136F, ASP153E, ASP178F, ASP31E, ASP31F, ASP32E, ASP32F, ASP86E, ASP88E, ASP91E, CYS27E, GLN101E, GLN193E, GLU104E, GLU147E, GLU177F, GLU181F, GLU26E, GLU35F, GLU67E, GLU69E, GLU75F, GLU82F, GLY150E, GLY21E, HIS127F, ILE131F, ILE140F, ILE22E, ILE25E, ILE76F, ILE92E, LEU103E, LEU111F, LEU114F, LEU157E, LEU176F, LEU24E, LEU30E, LEU43E, LYS148E, LYS183F, LYS33F, LYS38E, LYS64E, PHE106E, PHE156E, PHE174F, PHE37E, PHE42E, PHE54E, PHE78F, PRO113F, PRO68E, PRO7F, PRO96E, SER107E, SER112F, SER134F, SER29E, SER44E, SER93E, SER95E, THR137F, THR158E, THR36F, THR65E, TYR102E, TYR129F, TYR23E, TYR28E, TYR66E, VAL110F, VAL132F, VAL135F, VAL149E, VAL155E, VAL39E, VAL61E, VAL63E, VAL79F, VAL81F, VAL89E, VAL90E, VAL94E