3QGL

crystal structure of pdz domain of sorting nexin 27 (snx27) in complex with the eseskv peptide corresponding to the c-terminal tail of girk3

• Total interactions analyzed: 45
• Total true interactions: 20
• Strongest Interaction:
  • Chains: G-H
  • Int. Res.: 12
  • Norm. En. per Res.: -5.5285
• Hub Node: A(7)

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-F	-59.7469	-27.8801	-142.589	-230.216	42	14	5	5035	0	13	10
A-B	-32.6403	-43.3626	-106.551	-182.5539	63	9	4	5509	3	18	13
A-G	0.0	0.0	-8.4474	-8.4474	10	0	0	282	0	0	3
A-C	0.0	0.0	-30.5342	-30.5342	40	13	0	2268	0	6	5
A-H	0.0	0.0	-0.8644	-0.8644	8	0	0	185	0	4	0
A-D	0.0	0.0	-0.4205	-0.4205	6	0	0	32	0	4	3
A-E	-44.7545	-46.2528	-84.6213	-175.6286	64	11	4	5736	3	18	13
F-E	0.0	8.4968	-9.9567	-1.46	11	0	0	313	0	0	4
B-G	-55.662	-27.1461	-136.659	-219.467	42	11	5	4926	0	14	10
B-C	0.0	1.4606	-2.6321	-1.1716	12	0	0	327	0	3	11
B-H	0.0	-7.6919	-2.5561	-10.248	14	0	0	339	0	9	6
B-D	0.0	0.0	-50.6309	-50.6309	39	2	0	2457	1	5	5
G-C	0.0	-10.5556	-1.6343	-12.1899	13	0	0	292	0	7	5
G-H	-36.6201	25.6592	-55.3807	-66.3416	12	8	0	1698	0	4	3
G-D	0.0	0.0	-1.9586	-1.9586	9	0	0	246	0	4	0
C-H	-47.1927	-29.1134	-143.735	-220.0411	44	10	5	4937	0	14	10
C-D	-40.4274	-29.2652	-103.604	-173.2966	61	14	4	5272	1	19	13
H-D	0.0	0.0	-4.2676	-4.2676	6	0	0	206	0	0	3
D-I	-45.5199	-33.0111	-130.335	-208.866	40	11	5	4751	0	12	9
E-J	-59.6921	-26.7158	-123.94	-210.348	42	17	5	4793	0	13	10

Interface residues

• A-F: ALA121A, ALA81A, ALA88A, ARG120A, ARG56A, ASN54A, ASP117A, GLN58A, GLN77A, GLU201F, GLU203F, GLY50A, GLY52A, GLY57A, HIS112A, HIS78A, ILE119A, ILE44A, ILE99A, LEU118A, LEU126A, LEU128A, LEU83A, LYS113A, LYS205F, LYS46A, PHE53A, PRO84A, SER202F, SER204F, SER49A, SER60A, SER80A, THR111A, TYR51A, VAL115A, VAL116A, VAL206F, VAL55A, VAL59A, VAL79A, VAL82A
• A-B: ALA121A, ALA91A, ARG40A, ARG43A, ARG56B, ARG66B, ARG94B, ARG98B, ASN103A, ASN106A, ASN69A, ASN69B, ASP97B, GLN58B, GLN64B, GLN77B, GLU101A, GLU108A, GLU123A, GLU125A, GLU71A, GLU71B, GLY104A, GLY122A, GLY57B, GLY63B, GLY70A, GLY70B, GLY96B, HIS78B, ILE127A, ILE44A, ILE68A, ILE68B, LEU100A, LEU118A, LEU126A, LEU128A, LEU131A, LEU131B, LEU65B, LEU72A, LEU72B, LEU76A, LEU76B, LYS124A, LYS95B, PRO39A, PRO75B, SER132B, SER67B, SER6A, SER80B, THR129A, TYR73A, TYR73B, VAL102A, VAL105A, VAL130A, VAL133B, VAL41A, VAL42A, VAL79B
• A-G: ASN106A, GLU101A, GLU201G, GLU203G, GLY104A, LEU118A, SER202G, VAL102A, VAL105A, VAL107A
• A-C: ALA110A, ALA74A, ALA81C, ALA87C, ALA88C, ARG90C, ASN54C, ASP117A, ASP89C, GLN114A, GLN58A, GLN64A, GLU108A, GLU48C, GLU61A, GLY109A, GLY50C, GLY52C, GLY62A, GLY63A, GLY85C, GLY86C, HIS112A, LEU118A, LEU65A, LEU83C, LYS113A, PRO75A, PRO84C, SER47C, SER49C, SER60A, THR111A, TYR51C, VAL105A, VAL107A, VAL115A, VAL116A, VAL59A, VAL82C
• A-H: ALA110A, ASN106A, GLN114A, GLU61A, LEU118A, LYS205H, VAL105A, VAL107A
• A-D: ALA121A, ALA121D, ARG120A, ARG120D, GLU123A, GLU123D
• A-E: ALA121E, ALA91E, ARG40E, ARG43E, ARG56A, ARG66A, ARG94A, ARG98A, ASN103E, ASN106E, ASN69A, ASN69E, ASP97A, GLN58A, GLN64A, GLN77A, GLU101E, GLU108E, GLU123E, GLU125E, GLU71A, GLU71E, GLY104E, GLY122E, GLY57A, GLY63A, GLY70A, GLY70E, GLY96A, HIS78A, ILE127E, ILE44E, ILE68A, ILE68E, LEU100E, LEU118E, LEU126E, LEU128E, LEU131A, LEU131E, LEU65A, LEU72A, LEU72E, LEU76A, LEU76E, LYS124E, LYS95A, PRO39E, PRO75A, SER132A, SER67A, SER67E, SER6E, SER80A, THR129E, TYR73A, TYR73E, VAL102E, VAL105E, VAL130E, VAL133A, VAL41E, VAL42E, VAL79A
• F-E: ASN106E, GLU101E, GLU108E, GLU201F, GLU203F, GLY104E, LEU118E, SER202F, VAL102E, VAL105E, VAL107E
• B-G: ALA81B, ALA87B, ALA88B, ARG120B, ARG56B, ASN54B, ASP117B, GLN58B, GLN77B, GLU201G, GLU203G, GLY50B, GLY52B, GLY57B, HIS112B, HIS78B, ILE119B, ILE44B, ILE99B, LEU118B, LEU126B, LEU128B, LEU83B, LYS113B, LYS205G, LYS46B, PHE53B, SER202G, SER204G, SER47B, SER49B, SER60B, SER80B, THR111B, TYR51B, VAL115B, VAL116B, VAL206G, VAL55B, VAL59B, VAL79B, VAL82B
• B-C: ARG120B, ARG120C, ARG56B, ARG56C, ASN54B, ASN54C, LYS113B, LYS113C, VAL116B, VAL116C, VAL59B, VAL59C
• B-H: ARG120B, ARG56B, ASN54B, GLU201H, GLU203H, GLY57B, HIS112B, LYS205H, SER202H, SER204H, SER80B, VAL116B, VAL55B, VAL59B
• B-D: ALA110D, ALA74D, ALA81B, ALA87B, ALA88B, ARG90B, ASN106D, ASN54B, ASP117D, ASP89B, GLN114D, GLN58D, GLN64D, GLU108D, GLU48B, GLU61D, GLY109D, GLY50B, GLY52B, GLY62D, GLY63D, GLY85B, GLY86B, LEU118D, LEU65D, LEU83B, LYS113D, PRO75D, PRO84B, SER47B, SER49B, SER60D, THR111D, TYR51B, VAL105D, VAL107D, VAL115D, VAL116D, VAL82B
• G-C: ARG120C, ARG56C, ASN54C, GLU201G, GLU203G, HIS112C, LYS205G, SER202G, SER204G, SER80C, VAL116C, VAL55C, VAL59C
• G-H: GLU201G, GLU201H, GLU203G, GLU203H, LYS205G, LYS205H, SER202G, SER202H, SER204G, SER204H, VAL206G, VAL206H
• G-D: ALA110D, ASN106D, GLN114D, GLU108D, GLU203G, LEU118D, LYS205G, VAL105D, VAL107D
• C-H: ALA81C, ALA87C, ALA88C, ARG120C, ARG56C, ASN54C, ASP117C, GLN58C, GLN77C, GLU201H, GLU203H, GLY50C, GLY52C, GLY57C, HIS112C, HIS78C, ILE119C, ILE44C, ILE99C, LEU118C, LEU126C, LEU128C, LEU83C, LYS113C, LYS205H, LYS46C, LYS95C, PHE53C, PRO84C, SER202H, SER204H, SER47C, SER49C, SER60C, SER80C, THR111C, TYR51C, VAL115C, VAL116C, VAL206H, VAL55C, VAL59C, VAL79C, VAL82C
• C-D: ALA121D, ALA91D, ARG40D, ARG43D, ARG56C, ARG66C, ARG94C, ARG98C, ASN103D, ASN106D, ASN69C, ASN69D, ASP97C, GLN58C, GLN64C, GLU101D, GLU108D, GLU123D, GLU125D, GLU71C, GLU71D, GLY104D, GLY122D, GLY57C, GLY63C, GLY70C, GLY70D, GLY96C, HIS78C, ILE127D, ILE44D, ILE68C, ILE68D, LEU100D, LEU118D, LEU126D, LEU128D, LEU131C, LEU131D, LEU65C, LEU72C, LEU72D, LEU76C, LYS124D, LYS95C, PRO39D, PRO75C, SER132C, SER67C, SER6D, SER80C, THR129D, TYR73C, TYR73D, VAL102D, VAL105D, VAL130D, VAL133C, VAL41D, VAL42D, VAL79C
• H-D: ASN106D, GLU101D, GLU201H, GLY104D, SER202H, VAL105D
• D-I: ALA121D, ALA81D, ALA88D, ARG120D, ARG56D, ASN54D, ASP117D, GLN58D, GLN77D, GLU201I, GLU203I, GLY50D, GLY52D, GLY57D, HIS112D, HIS78D, ILE119D, ILE44D, ILE99D, LEU118D, LEU126D, LEU128D, LEU83D, LYS113D, LYS205I, LYS46D, PHE53D, SER202I, SER204I, SER49D, SER60D, SER80D, TYR51D, VAL115D, VAL116D, VAL206I, VAL55D, VAL59D, VAL79D, VAL82D
• E-J: ALA81E, ALA87E, ALA88E, ARG120E, ARG56E, ASN54E, ASP117E, GLN58E, GLN77E, GLU201J, GLU203J, GLY50E, GLY52E, GLY57E, HIS112E, HIS78E, ILE119E, ILE44E, ILE99E, LEU126E, LEU128E, LEU83E, LYS113E, LYS205J, LYS46E, PHE53E, PRO84E, SER202J, SER204J, SER47E, SER49E, SER60E, SER80E, THR111E, TYR51E, VAL115E, VAL116E, VAL206J, VAL55E, VAL59E, VAL79E, VAL82E