3S6N

crystal structure of the gemin2-binding domain of smn, gemin2 in complex with smd1/d2/f/e/g from human

• Total interactions analyzed: 21
• Total true interactions: 13
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 84
  • Norm. En. per Res.: -4.4659
• Hub Node: 2(6)

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
2-A	-31.9359	5.2281	-105.12	-131.8278	61	2	0	5185	1	22	14
2-B	-40.4458	-20.0168	-216.291	-276.7536	82	11	2	8763	5	27	29
2-E	-15.7388	-0.2951	-198.195	-214.2289	53	5	4	7577	0	9	10
2-F	-39.1846	1.2096	-153.97	-191.9451	58	13	5	6004	0	4	4
2-G	-10.198	0.0	-48.0904	-58.2884	18	3	2	1887	0	3	1
2-M	-16.1155	-47.7119	-195.14	-258.9674	70	12	12	8377	4	5	9
A-B	-70.5448	-12.3218	-292.266	-375.1326	84	18	13	12586	4	24	26
A-F	0.0	0.0	-0.2256	-0.2256	3	0	0	46	0	0	2
B-E	0.0	0.0	-0.405	-0.405	4	0	0	43	0	4	2
B-F	-42.9444	-30.0529	-212.674	-285.6713	79	16	11	9990	1	9	10
E-F	-44.8422	-27.6263	-218.638	-291.1065	82	30	6	10942	3	23	17
E-G	-51.5594	-9.5539	-270.478	-331.5913	83	16	9	11478	0	7	5
F-G	0.0	0.0	-0.032	-0.032	3	0	0	14	0	0	1

Interface residues

• 2-A: ALA1892, ALA2302, ARG1142, ARG1212, ARG50A, ASN1182, ASN1872, ASN37A, ASN49A, ASN63A, ASP2712, ASP33A, ASP72A, CYS2212, GLN1882, GLN24A, GLN54A, GLU18A, GLU222, GLU2232, GLU2292, GLU232, GLU51A, GLY22A, GLY27A, GLY62A, HIS2312, HIS26A, ILE17A, ILE69A, LEU2222, LEU2262, LEU2272, LEU242, LEU47A, LEU70A, LYS2242, LYS44A, LYS48A, MET1862, MET1A, MET36A, MET45A, PRO2252, PRO2282, PRO52A, SER1932, SER35A, THR16A, THR1902, THR1922, THR23A, THR46A, TYR67A, VAL15A, VAL1912, VAL25A, VAL34A, VAL43A, VAL4A, VAL53A
• 2-B: ALA116B, ALA2302, ALA692, ARG102B, ARG2352, ARG2392, ARG2732, ARG61B, ARG94B, ASN112B, ASN25B, ASN45B, ASN48B, ASN64B, ASN69B, ASN832, ASN91B, ASP104B, ASP2712, ASP2742, ASP60B, ASP652, ASP93B, CYS63B, GLN2362, GLN2722, GLN41B, GLU1962, GLU222, GLU2292, GLU232, GLU23B, GLU72B, GLU76B, GLY103B, GLY27B, GLY882, HIS2312, HIS62B, ILE115B, ILE2342, ILE842, ILE96B, LEU110B, LEU114B, LEU2262, LEU2272, LEU2332, LEU242, LEU2752, LEU29B, LEU43B, LEU53B, LEU862, LYS50B, LYS51B, LYS71B, LYS92B, LYS98B, MET252, MET73B, PHE24B, PHE2702, PRO113B, PRO2252, PRO2282, PRO28B, SER2322, SER2672, SER30B, SER852, SER872, SER97B, THR26B, THR75B, TRP74B, TYR95B, VAL662, VAL672, VAL682, VAL70B, VAL90B
• 2-E: ALA602, ARG23E, ARG272, ARG472, ARG542, ARG552, ASN19E, ASN55E, ASN83E, ASP51E, ASP82E, GLN16E, GLN26E, GLN502, GLN572, GLU232, GLU512, GLU52E, GLU592, GLY49E, GLY81E, ILE18E, ILE21E, ILE47E, ILE48E, ILE582, ILE84E, LEU20E, LEU242, LEU25E, LEU282, LEU292, LEU532, LEU56E, LEU87E, LYS80E, MET252, MET54E, MET78E, PHE22E, PHE50E, PRO17E, PRO262, PRO302, PRO492, THR482, THR85E, TYR36E, TYR522, TYR53E, VAL312, VAL562, VAL57E
• 2-F: ALA602, ALA612, ALA692, ARG552, ARG65F, ASN12F, ASN41F, ASN67F, ASN6F, ASN832, ASP37F, ASP652, CYS632, CYS66F, GLN43F, GLN572, GLN622, GLU222, GLU232, GLU592, GLY13F, GLY16F, GLY38F, GLY57F, GLY60F, HIS58F, ILE582, ILE842, LEU11F, LEU14F, LEU242, LEU33F, LEU532, LEU59F, LEU5F, LYS17F, LYS24F, LYS8F, MET252, MET40F, PHE10F, PRO262, PRO4F, PRO642, PRO7F, PRO9F, SER35F, SER56F, THR15F, TYR32F, TYR39F, TYR522, VAL34F, VAL36F, VAL562, VAL662, VAL672, VAL682
• 2-G: ARG272, ARG63G, ASN39G, ASN65G, ASP35G, GLU232, GLY64G, LEU282, LEU292, LEU532, MET38G, PHE34G, PHE37G, PRO262, PRO302, PRO36G, VAL312, VAL61G
• 2-M: ALA2172, ALA2202, ALA2582, ALA38M, ALA42M, ALA46M, ALA48M, ALA922, ARG1142, ARG1212, ARG2132, ARG2452, ARG2552, ASN1162, ASN2602, ASP2522, ASP44M, CYS2212, CYS2642, GLN1032, GLN1052, GLN1062, GLN1092, GLU2102, GLU2542, GLY2122, GLY952, HIS1202, ILE1822, ILE40M, LEU1792, LEU1802, LEU2112, LEU2152, LEU2182, LEU2192, LEU2592, LEU2612, LEU2622, LEU2652, LEU39M, LYS1192, LYS2512, LYS41M, LYS45M, LYS51M, PHE1102, PHE2072, PHE50M, PRO2092, PRO2572, PRO982, SER1812, SER1842, SER49M, SER972, THR1122, THR2082, THR37M, THR992, TRP1022, TRP2142, TYR2162, TYR43M, TYR962, VAL1132, VAL1172, VAL1832, VAL2562, VAL47M
• A-B: ALA58B, ARG102B, ARG47B, ARG55B, ARG5A, ARG61A, ARG61B, ARG66A, ARG94B, ASN21A, ASN37A, ASN48B, ASN49B, ASN63A, ASN64A, ASN64B, ASN69B, ASP104B, ASP60B, ASP72A, ASP77A, CYS46B, CYS63B, GLN24A, GLU18A, GLU68B, GLU72B, GLY103B, GLY22A, GLY62A, HIS62B, ILE107B, ILE17A, ILE65A, ILE69A, ILE96B, LEU101B, LEU10A, LEU19A, LEU3A, LEU52B, LEU67B, LEU70A, LEU74A, LEU76A, LEU79A, LEU7A, LEU80A, LYS20A, LYS2A, LYS48A, LYS50B, LYS57B, LYS98B, MET1A, MET36A, MET65B, MET8A, MET99B, PHE100B, PHE24B, PHE59B, PHE68A, PHE6A, PRO71A, PRO75A, SER105B, SER35A, SER73A, SER97B, THR16A, THR38A, THR46A, THR78A, TYR67A, TYR95B, VAL106B, VAL15A, VAL32A, VAL36B, VAL4A, VAL56B, VAL66B, VAL70B
• A-F: ARG65F, MET1A, MET36A
• B-E: ARG47B, GLN38E, GLU37E, TYR36E
• B-F: ALA45F, ARG102B, ARG111B, ARG47B, ARG61B, ARG65F, ASN112B, ASN25B, ASN41F, ASN45B, ASN49B, ASN64B, ASN67F, ASN68F, ASP104B, ASP37F, ASP60B, CYS46B, CYS63B, CYS66F, GLN34B, GLN43F, GLU23B, GLU28F, GLU49F, GLU61F, GLY103B, GLY27B, GLY38F, GLY57F, GLY60F, HIS58F, HIS62B, ILE107B, ILE44B, ILE51F, ILE64F, LEU110B, LEU114B, LEU11F, LEU23F, LEU29B, LEU32B, LEU33F, LEU43B, LEU44F, LEU59F, LEU63F, LYS24F, LYS51B, MET27F, MET40F, MET42F, MET65B, PHE24B, PHE59B, PRO113B, PRO28B, SER105B, SER30B, SER35F, SER56F, THR15F, THR26B, THR33B, THR47F, TRP25F, TYR29F, TYR39F, VAL106B, VAL108B, VAL109B, VAL21F, VAL31B, VAL34F, VAL36F, VAL42B, VAL62F, VAL69F
• E-F: ALA61E, ARG28E, ARG42E, ARG65F, ARG73F, ARG76E, ASN12F, ASN41F, ASN55E, ASN67F, ASN68F, ASN6F, ASN83E, ASP37F, ASP51E, ASP59E, ASP82E, CYS66F, GLN26E, GLN38E, GLN73E, GLU28F, GLU37E, GLU52E, GLU62E, GLU63E, GLU76F, GLY26F, GLY38F, GLY49E, GLY74F, GLY75E, GLY81E, HIS65E, ILE43E, ILE47E, ILE48E, ILE64F, ILE72F, ILE77E, ILE84E, LEU11F, LEU14F, LEU23F, LEU25E, LEU35E, LEU3F, LEU56E, LEU58E, LEU5F, LEU70F, LEU74E, LEU79E, LYS22F, LYS24F, LYS72E, LYS80E, LYS8F, MET20F, MET40F, MET41E, MET42F, MET54E, MET78E, PHE10F, PHE22E, PHE50E, PRO4F, PRO7F, PRO9F, TRP25F, TYR36E, TYR39F, TYR53E, TYR71F, VAL21F, VAL33E, VAL36F, VAL39E, VAL57E, VAL69F, VAL75F
• E-G: ALA49G, ARG23E, ARG25G, ARG32G, ARG42E, ARG63G, ASN19E, ASN22G, ASN39G, ASN40E, ASN56G, ASN65G, ASN83E, ASP14G, ASP35G, ASP43G, ASP82E, CYS45G, GLN16E, GLN28G, GLN32E, GLN38E, GLN88E, GLU37E, GLU47G, GLU52E, GLY23G, GLY24G, GLY33G, GLY58G, GLY64G, GLY81E, HIS26G, ILE18E, ILE21E, ILE31E, ILE42G, ILE57G, ILE62G, ILE67G, ILE68G, ILE84E, LEU19G, LEU20E, LEU21G, LEU31G, LEU35E, LEU40G, LEU86E, LEU87E, LYS20G, LYS67E, LYS80E, MET14E, MET38G, MET41E, MET48G, MET54E, MET59G, PHE22E, PHE34G, PHE37G, PRO17E, PRO36G, SER51G, SER66E, SER66G, SER89E, THR50G, THR85E, TRP34E, TYR24E, TYR36E, TYR53E, VAL15E, VAL27G, VAL33E, VAL39E, VAL41G, VAL46G, VAL60G, VAL61G, VAL90E
• F-G: ARG63G, ASN67F, LYS24F