3KIR

structure of rele nuclease bound to the 70s ribosome (precleavage state; part 2 of 4)

• Total interactions analyzed: 528
• Total true interactions: 30
• Strongest Interaction:
  • Chains: O-T
  • Int. Res.: 81
  • Norm. En. per Res.: -3.6368
• Hub Node: E(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
E-N	0.0	0.0	-35.6353	-35.6353	12	1	0	1306	0	0	2
E-O	-7.3391	3.0342	-29.757	-34.0619	14	2	0	1072	0	9	9
E-R	-5.8707	1.1248	-43.0679	-47.8138	16	12	0	2363	0	1	12
E-T	0.0	-3.5853	-110.904	-114.4893	70	8	6	6413	0	18	18
F-P	0.0	22.5353	-95.9134	-73.3781	43	7	0	4513	0	18	21
F-U	0.0	0.0	-1.062	-1.062	9	0	0	272	0	0	2
F-7	0.0	0.0	-0.0009	-0.0009	3	0	0	3	0	0	0
G-4	-15.1349	14.4645	-203.404	-204.0744	97	51	5	11435	0	24	23
H-9	0.0	0.0	-0.0758	-0.0758	4	0	0	42	0	1	3
I-1	0.0	0.0	-30.9199	-30.9199	31	5	1	2000	0	6	9
N-U	-11.4984	-6.9895	-123.183	-141.6709	50	10	1	5429	0	9	26
N-V	0.0	2.1683	-10.8476	-8.6793	15	4	0	809	0	1	5
N-9	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	1	1
O-T	-61.2017	-9.9543	-223.423	-294.579	81	36	5	10107	4	41	39
P-U	0.0	0.0	-0.0014	-0.0014	2	0	0	4	0	0	1
P-V	0.0	11.3789	-6.7923	4.5865	12	0	0	517	0	0	6
P-8	-9.3657	26.4676	-146.553	-129.4511	57	24	0	7758	1	17	62
Q-Z	-36.3357	-4.2697	-224.243	-264.8484	111	28	5	11143	2	64	65
Q-0	0.0	2.6812	-56.8596	-54.1784	24	4	1	2682	0	3	12
Q-9	0.0	0.0	-2.8307	-2.8307	6	0	0	150	0	1	2
R-W	0.0	-33.0022	-20.5695	-53.5716	19	4	0	953	2	6	9
R-5	-7.6999	0.9341	-48.3372	-55.103	34	3	3	2543	0	5	11
S-0	0.0	-4.7195	-2.9266	-7.6461	16	0	0	204	0	8	8
U-V	-33.1412	-24.3473	-164.804	-222.2925	92	54	11	10419	1	16	37
U-5	0.0	1.0011	-3.8725	-2.8714	13	0	0	483	0	0	8
W-5	0.0	36.2952	-113.822	-77.5268	57	8	4	5090	2	14	21
X-2	-25.2308	-14.492	-125.355	-165.0778	50	7	3	4832	2	9	11
X-7	0.0	0.0	-6.2074	-6.2074	10	4	0	334	0	1	4
0-8	0.0	0.0	-0.0783	-0.0783	3	0	0	36	0	2	1
6-8	0.0	0.0	-27.945	-27.945	17	5	0	1206	0	3	1

Interface residues

• E-N: ARG149E, GLY153E, GLY77N, GLY80N, LYS152E, LYS154E, PRO79N, SER76N, TYR151E, TYR75N, TYR78N, VAL150E
• E-O: ALA20E, ARG13E, ARG16E, ARG19E, ARG71O, ASP18E, ASP73O, GLY74O, LYS70O, PHE15E, PRO22E, PRO72O, SER75O, VAL21E
• E-R: ALA114E, ALA162E, ARG111E, ARG2R, GLY110E, GLY112E, GLY161E, HIS3R, LEU4R, LYS109E, LYS118E, LYS5R, PHE113E, PRO191E, SER108E, TYR160E
• E-T: ALA20E, ALA5T, ARG13E, ARG13T, ARG16E, ARG16T, ARG19E, ARG39T, ARG3T, ARG53T, ARG76E, ASN180E, ASN192E, ASN2T, ASN55T, ASN58T, ASP174E, ASP17E, ASP18E, GLN54E, GLU11T, GLU178E, GLU179E, GLY10E, GLY193E, GLY29E, GLY4T, HIS79T, ILE14E, ILE176E, ILE26E, ILE75T, ILE7T, LEU181E, LEU182E, LEU183E, LEU27E, LEU52E, LEU6T, LEU78T, LEU82T, LEU9T, LYS8E, LYS8T, MET11E, MET1T, PHE15E, PHE51E, PHE57T, PHE76T, PRO53E, PRO77T, PRO81T, SER12T, SER80T, THR12E, THR24E, THR59T, THR60T, TYR14T, TYR32T, VAL10T, VAL15T, VAL173E, VAL21E, VAL23E, VAL25E, VAL34T, VAL7E, VAL9E
• F-P: ALA113F, ALA12P, ARG117F, ARG119F, ARG15P, ARG16P, ARG188F, ARG18P, ARG33P, ARG38F, ARG7P, ARG95F, ASN13P, ASN29F, ASN9P, ASP116F, ASP185F, ASP5P, GLU120F, GLU190F, GLU35F, GLY11P, HIS31F, ILE186F, ILE28F, LEU32F, LEU33F, LEU41F, LEU6P, LYS122F, LYS14P, MET112F, PHE90F, PRO10P, PRO30F, PRO8P, THR189F, TRP34F, TYR184F, VAL183F, VAL187F, VAL36F, VAL37F
• F-U: ALA49F, ARG3U, ARG45F, GLY91F, PRO2U, PRO92F, THR51F, TYR97F, VAL88F
• F-7: ALA58F, LYS377, SER60F
• G-4: ALA110G, ALA124, ALA57G, ALA61G, ALA6G, ARG113G, ARG115G, ARG118G, ARG181G, ARG95G, ARG96G, ARG98G, ARG9G, ASN108G, ASN204, ASP116G, ASP147G, ASP4G, ASP97G, CYS164, CYS184, CYS364, CYS394, GLN58G, GLN66G, GLU104G, GLU143G, GLU234, GLU304, GLU34, GLU344, GLY119G, GLY174, GLY177G, GLY44, GLY65G, HIS404, HIS64, ILE101G, ILE114G, ILE140G, ILE144, ILE144G, ILE154, ILE224, ILE314, ILE54, ILE63G, LEU107G, LEU111G, LEU3G, LEU60G, LEU62G, LEU7G, LEU94, LEU94G, LYS105G, LYS10G, LYS24, LYS284, LYS384, LYS67G, LYS84, LYS8G, MET14, MET99G, PHE102G, PHE117G, PHE141G, PHE180G, PHE424, PRO112G, PRO114, PRO142G, PRO179G, PRO2G, PRO68G, PRO74, SER264, SER374, THR145G, THR244, THR274, THR64G, THR93G, TRP100G, TYR146G, TYR254, TYR324, TYR434, VAL104, VAL109G, VAL214, VAL334, VAL354, VAL5G, VAL92G
• H-9: ASN299, GLU289, PRO309, VAL169H
• I-1: ALA26I, ALA641, ARG27I, ARG501, ARG521, ARG761, ASN28I, ASN43I, GLU721, GLU751, GLY24I, HIS661, ILE671, LEU31I, LEU38I, LEU731, LYS481, LYS691, LYS781, MET1I, PRO23I, PRO32I, PRO681, SER42I, THR40I, TYR711, VAL37I, VAL491, VAL511, VAL701, VAL741
• N-U: ALA67U, ALA68U, ALA96U, ALA99U, ARG101U, ARG12N, ARG35N, ARG39N, ARG59U, ARG64U, ARG70U, ARG92U, ASN45N, ASN66U, ASN94U, ASP41N, ASP56U, ASP91U, ASP97U, CYS69U, GLN71U, GLY36N, HIS38N, ILE62U, ILE65U, LEU60U, LEU95U, LEU98U, LYS2N, LYS37N, LYS7N, LYS93U, MET1N, MET48N, PHE106U, PHE57U, PRO103U, PRO40N, PRO44N, PRO6N, THR32N, THR3N, THR43N, TRP42N, TRP61U, TYR4N, VAL100U, VAL46N, VAL5N, VAL63U
• N-V: ALA3V, ARG13V, ARG21V, GLN11V, ILE4V, LEU18V, LEU20V, LYS10V, LYS19V, LYS2N, MET1N, PHE2V, TYR12V, VAL14V, VAL5V
• N-9: GLY219, LYS65N
• O-T: ALA103O, ALA118O, ALA11O, ALA76O, ALA83O, ARG103T, ARG104O, ARG107O, ARG41T, ARG51T, ARG64O, ARG64T, ARG71O, ARG74T, ARG78O, ASN104T, ASN38T, ASN82O, ASP44T, ASP73O, ASP80O, ASP81O, GLN43T, GLU105O, GLU108O, GLU120O, GLU36T, GLU46T, GLU68O, GLU73T, GLU9O, GLY100O, GLY37T, GLY69T, GLY71T, GLY74O, HIS79T, ILE50T, ILE69O, ILE75T, ILE77O, LEU122O, LEU78T, LEU82T, LYS33T, LYS35T, LYS65T, LYS66O, LYS70O, MET112O, PHE45T, PHE61T, PHE76T, PHE79O, PHE99O, PRO101O, PRO119O, PRO72O, PRO77T, PRO81T, SER106T, SER116O, SER31T, SER67T, SER75O, SER80T, THR60T, THR62T, THR65O, TYR100T, TYR32T, TYR68T, VAL102O, VAL115O, VAL121O, VAL34T, VAL63O, VAL63T, VAL66T, VAL70T, VAL72T
• P-U: ARG36U, GLY26P
• P-V: ALA31P, ARG82V, ARG83V, GLN80V, GLY26P, GLY28P, HIS27P, SER25P, THR30P, THR32P, TYR81V, VAL79V
• P-8: ALA108, ALA248, ALA558, ARG138, ARG308, ARG468, ARG49P, ARG50P, ARG55P, ARG578, ARG61P, ARG65P, ASP47P, GLN68P, GLU52P, GLU548, GLU568, GLY288, GLY458, GLY66P, GLY69P, GLY98, HIS78, ILE168, ILE588, LEU59P, LEU608, LEU618, LEU62P, LYS118, LYS128, LYS158, LYS268, LYS298, LYS448, LYS478, LYS528, LYS58, LYS598, LYS64P, LYS88, MET258, MET48, MET60P, MET67P, PHE51P, PRO48P, PRO538, PRO63P, THR278, THR57P, THR58P, THR68, VAL148, VAL228, VAL238, VAL498
• Q-Z: ALA107Q, ALA136Q, ALA140Q, ALA173Z, ALA184Z, ALA20Q, ALA28Q, ALA36Q, ALA53Q, ARG101Q, ARG122Z, ARG133Q, ARG134Q, ARG49Z, ARG51Q, ARG56Q, ARG59Q, ARG60Q, ARG67Q, ARG72Z, ARG79Z, ARG80Z, ARG81Z, ARG82Z, ASN75Z, ASP123Z, ASP135Q, ASP138Q, ASP179Z, ASP25Q, ASP31Q, ASP45Z, ASP77Z, GLN118Z, GLN50Z, GLN73Z, GLU105Q, GLU119Z, GLU139Q, GLU178Z, GLU181Z, GLU185Z, GLU38Q, GLU48Q, GLU84Z, GLY100Q, GLY108Q, GLY114Z, GLY115Z, GLY19Q, GLY23Q, GLY24Q, GLY30Q, GLY33Q, GLY61Q, GLY62Q, HIS121Z, HIS54Z, HIS57Q, ILE120Z, ILE124Z, ILE131Q, ILE53Z, ILE64Q, LEU117Z, LEU125Z, LEU183Z, LEU34Q, LEU37Q, LEU76Z, LYS130Q, LYS182Z, LYS18Q, LYS22Q, LYS63Q, LYS78Z, LYS98Q, MET1Q, MET54Q, PHE104Z, PHE29Q, PHE44Z, PHE48Z, PHE58Q, PHE65Q, PRO176Z, PRO177Z, PRO39Q, PRO83Z, PRO99Q, SER52Z, THR21Q, TYR137Q, TYR26Q, TYR32Q, TYR99Z, VAL102Q, VAL106Q, VAL109Q, VAL111Z, VAL116Z, VAL132Q, VAL174Z, VAL175Z, VAL180Z, VAL27Q, VAL35Q, VAL52Q, VAL55Q, VAL74Z, VAL86Z
• Q-0: ALA20, ARG10Q, ARG110, ARG82Q, ASN120, GLU80Q, GLY60, GLY80, GLY84Q, GLY86Q, HIS30, LEU70, LEU79Q, LYS11Q, LYS40, LYS50, LYS77Q, LYS85Q, LYS87Q, MET83Q, PRO78Q, SER90, THR100, VAL81Q
• Q-9: ARG119Q, GLU116Q, HIS123Q, ILE120Q, LYS89, SER69
• R-W: ALA101R, ALA109R, ALA44W, ARG103R, ARG104R, ARG105R, ARG37W, ARG42W, ASN40W, ASP107R, GLU102R, GLY106R, GLY108R, LEU100R, LYS41W, PRO110R, THR39W, TYR38W, TYR45W
• R-5: ALA101R, ALA112R, ALA535, ARG103R, ARG33R, ARG555, ARG96R, CYS465, GLU102R, GLU115R, GLU118R, GLU485, GLY505, GLY545, HIS435, LEU100R, LEU111R, LEU113R, LEU305, LEU98R, LYS405, LYS565, LYS99R, MET395, PRO110R, PRO285, PRO415, PRO425, PRO475, THR445, TYR515, TYR525, VAL38R, VAL455
• S-0: ARG15S, ARG23S, ARG720, ASN500, GLU43S, GLY480, HIS800, ILE18S, LEU620, LEU750, LYS460, LYS490, PRO830, THR21S, TYR780, VAL510
• U-V: ALA107U, ALA3V, ALA41U, ALA42U, ALA46U, ALA48U, ALA77V, ALA86U, ALA96U, ARG101U, ARG112U, ARG13V, ARG36U, ARG50U, ARG53U, ARG82V, ARG83V, ARG92U, ASN44U, ASN94U, ASP91U, ASP97U, GLN104U, GLN11V, GLN80V, GLU102U, GLU108U, GLU111U, GLU15V, GLU37U, GLU43V, GLU89U, GLY41V, GLY42V, GLY43U, GLY48V, GLY87U, GLY8V, GLY9V, HIS87V, ILE17U, ILE4V, ILE70V, ILE88U, LEU109U, LEU20U, LEU38V, LEU39U, LEU39V, LEU40V, LEU71V, LEU83U, LEU95U, LEU98U, LYS10V, LYS16U, LYS44V, LYS51U, LYS54U, LYS6V, LYS74V, LYS76V, LYS84V, LYS85U, LYS85V, LYS93U, MET1V, PHE106U, PHE2V, PHE40U, PHE75V, PRO103U, PRO50V, SER73V, THR45V, THR49V, THR7V, TRP61U, TYR12V, TYR45U, TYR47U, TYR81V, VAL105U, VAL14V, VAL22V, VAL46V, VAL47V, VAL51V, VAL52V, VAL5V, VAL72V, VAL90U
• U-5: ALA145, ARG155, ARG28U, GLY26U, LEU27U, LYS105, LYS135, LYS30U, LYS34U, LYS95, SER125, SER31U, TRP25U
• W-5: ALA245, ALA25, ALA32W, ALA385, ALA44W, ALA89W, ARG15W, ARG165, ARG18W, ARG195, ARG205, ARG33W, ARG37W, ARG88W, ARG90W, ARG92W, ASN34W, ASN40W, ASP175, ASP22W, ASP67W, CYS335, CYS465, GLU30W, GLU31W, GLU485, GLY43W, HIS235, ILE24W, ILE35W, LEU19W, LEU23W, LEU255, LEU305, LEU36W, LYS16W, LYS27W, LYS35, LYS375, LYS405, LYS41W, MET395, PRO275, PRO285, PRO325, PRO415, PRO475, THR265, THR295, THR39W, THR445, TYR38W, VAL17W, VAL20W, VAL21W, VAL315, VAL455
• X-2: ALA10X, ALA392, ALA42X, ALA46X, ALA4X, ALA91X, ARG262, ARG302, ARG362, ASP6X, GLN382, GLU272, GLU312, GLU342, GLU44X, GLY422, GLY94X, HIS31X, ILE412, ILE572, ILE89X, ILE8X, LEU13X, LEU322, LEU92X, LEU9X, LYS232, LYS282, LYS292, LYS48X, LYS542, MET332, PHE21X, PHE28X, PHE372, PHE47X, PRO11X, SER402, THR27X, THR3X, THR45X, TRP29X, TYR18X, TYR26X, TYR5X, VAL12X, VAL252, VAL30X, VAL43X, VAL7X
• X-7: ALA457, ARG477, ARG60X, ARG68X, ARG97, ASP75X, GLY61X, LYS63X, LYS72X, TRP407
• 0-8: ARG550, LYS398, SER378
• 6-8: ALA226, ASN266, ASN338, GLN358, GLU126, GLU246, ILE418, ILE546, LEU106, LEU116, LEU328, LEU96, LYS256, LYS368, LYS86, THR236, TRP348