3UXQ

the structure of thermorubin in complex with the 70s ribosome from thermus thermophilus. this file contains the 50s subunit of one 70s ribosome. the entire crystal structure contains two 70s ribosomes.

• Total interactions analyzed: 435
• Total true interactions: 29
• Strongest Interaction:
  • Chains: O-T
  • Int. Res.: 79
  • Norm. En. per Res.: -4.6142
• Hub Node: E(5)

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	-33.9231	-33.9231	14	1	1	1333	0	0	2
E-O	-10.1317	2.9811	-33.2096	-40.3602	15	1	0	1112	0	8	8
E-R	0.0	5.4793	-21.1466	-15.6673	18	3	0	1087	0	0	10
E-T	0.0	-35.3479	-181.959	-217.3069	76	13	11	8556	3	16	15
E-5	0.0	0.0	-0.0851	-0.0851	3	0	0	43	0	0	2
F-P	-11.4606	2.8733	-124.467	-133.0543	45	9	4	5466	0	14	13
F-U	0.0	0.0	-1.6195	-1.6195	11	0	0	321	0	0	2
F-7	0.0	0.0	-0.0021	-0.0021	2	0	0	2	0	0	0
G-4	-12.699	5.9626	-221.244	-227.9804	98	14	6	9854	0	23	23
I-1	-5.1605	0.0	-31.3956	-36.5561	33	2	1	1922	0	8	11
N-U	-13.236	-5.5609	-155.153	-173.9499	50	16	1	6399	0	10	23
N-V	0.0	0.0	-11.1372	-11.1372	11	1	0	863	0	1	4
O-T	-66.76	-65.3886	-232.372	-364.5207	79	19	5	9944	7	39	39
P-U	0.0	0.0	-0.0213	-0.0213	6	0	0	18	0	0	2
P-V	0.0	0.0	-12.7621	-12.7621	16	0	0	868	0	0	6
P-8	-40.519	4.3755	-218.057	-254.2005	61	18	4	8957	2	17	53
Q-Z	-105.7676	-172.9329	-370.419	-649.1195	146	31	11	16849	11	87	70
Q-0	0.0	0.0	-10.2371	-10.2371	11	0	0	549	0	0	4
R-T	0.0	0.0	-0.0078	-0.0078	2	0	0	7	0	0	0
R-W	-6.1414	-22.9935	-19.8132	-48.9481	19	4	0	969	1	5	8
R-5	-6.3382	2.4508	-71.9937	-75.8811	39	5	5	3819	1	8	12
S-0	-3.5603	-10.8151	-11.7887	-26.1641	24	0	0	676	2	7	13
U-V	-47.9659	-33.4701	-219.258	-300.694	96	13	7	10116	2	17	38
U-5	0.0	1.0118	-7.9787	-6.9668	15	0	0	632	0	0	9
W-5	-10.1752	38.571	-113.668	-85.2721	52	12	3	5011	2	10	21
X-2	-31.1502	-14.8937	-150.541	-196.5848	60	7	4	6682	2	11	16
X-7	0.0	0.0	-3.8691	-3.8691	5	0	0	166	0	2	6
0-8	0.0	0.0	-0.0129	-0.0129	2	0	0	12	0	2	1
6-8	0.0	0.0	-37.7292	-37.7292	22	0	0	1561	0	1	2

Interface residues

• E-N: ARG149E, GLY153E, GLY77N, GLY80N, GLY81N, LYS152E, LYS154E, PRO147E, PRO79N, SER76N, TYR151E, TYR75N, TYR78N, VAL150E
• E-O: ALA20E, ARG13E, ARG16E, ARG19E, ARG71O, ASP17E, ASP18E, ASP73O, GLY74O, LYS70O, PHE15E, PRO22E, PRO72O, SER75O, VAL21E
• E-R: ALA114E, ALA162E, ARG111E, ARG2R, ASN192E, GLY110E, GLY112E, GLY115E, GLY161E, HIS3R, LEU4R, LYS109E, LYS118E, MET1R, PHE113E, PRO191E, SER108E, TYR160E
• E-T: ALA20E, ALA28E, ALA5T, ARG13E, ARG13T, ARG16E, ARG16T, ARG19E, ARG3T, ARG53T, ASN180E, ASN192E, ASN2T, ASN55T, ASN58T, ASP174E, ASP17E, ASP18E, GLU11T, GLU178E, GLU179E, GLY10E, GLY193E, GLY194E, GLY4T, GLY56T, HIS79T, ILE14E, ILE176E, ILE26E, ILE75T, ILE7T, LEU181E, LEU182E, LEU183E, LEU27E, LEU52E, LEU6T, LEU78T, LEU82T, LEU9T, LYS33T, LYS35T, LYS8E, LYS8T, MET11E, MET1T, PHE15E, PHE51E, PHE57T, PHE61T, PHE76T, PRO177E, PRO191E, PRO22E, PRO77T, PRO81T, SER12T, SER80T, THR12E, THR24E, THR40T, THR59T, THR60T, TYR14T, TYR32T, VAL10T, VAL15T, VAL173E, VAL175E, VAL21E, VAL23E, VAL25E, VAL34T, VAL7E, VAL9E
• E-5: ALA25, HIS132E, LYS133E
• F-P: ALA113F, ALA12P, ARG117F, ARG119F, ARG16P, ARG188F, ARG38F, ARG7P, ARG95F, ASN13P, ASN29F, ASN9P, ASP116F, ASP185F, ASP5P, GLU120F, GLU190F, GLU35F, GLY11P, HIS31F, ILE186F, ILE28F, LEU32F, LEU33F, LEU3P, LEU41F, LEU6P, LYS122F, LYS2P, MET112F, MET1P, PHE90F, PRO10P, PRO30F, PRO8P, SER42P, SER4P, THR189F, TRP34F, TYR184F, TYR97F, VAL183F, VAL187F, VAL36F, VAL37F
• F-U: ALA49F, ARG3U, ARG45F, ARG95F, GLY91F, PRO2U, PRO92F, SER50F, THR51F, TYR97F, VAL88F
• F-7: ALA58F, LYS377
• G-4: ALA110G, ALA124, ALA57G, ALA61G, ALA69G, ALA6G, ARG113G, ARG115G, ARG118G, ARG134, ARG170G, ARG181G, ARG95G, ARG98G, ASN108G, ASN204, ASP116G, ASP4G, ASP97G, CYS164, CYS364, CYS394, GLN58G, GLN66G, GLU104G, GLU143G, GLU234, GLU344, GLU59G, GLY119G, GLY177G, GLY44, GLY65G, HIS404, HIS64, ILE101G, ILE114G, ILE140G, ILE144, ILE144G, ILE154, ILE224, ILE314, ILE54, ILE63G, LEU106G, LEU107G, LEU111G, LEU120G, LEU139G, LEU3G, LEU60G, LEU62G, LEU7G, LEU94, LEU94G, LYS105G, LYS10G, LYS182G, LYS24, LYS284, LYS384, LYS67G, LYS84, MET14, MET148G, PHE102G, PHE117G, PHE141G, PHE178G, PHE180G, PHE424, PRO112G, PRO114, PRO122G, PRO142G, PRO179G, PRO2G, PRO414, PRO68G, PRO74, SER264, SER374, THR145G, THR244, THR274, THR64G, THR93G, TRP100G, TYR254, TYR324, TYR434, VAL104, VAL109G, VAL334, VAL354, VAL5G, VAL92G
• I-1: ALA26I, ALA36I, ALA641, ARG27I, ARG501, ARG521, ARG761, ASN28I, ASN43I, GLN471, GLU721, GLU751, GLY24I, HIS661, ILE4I, ILE671, LEU31I, LEU38I, LEU6I, LYS691, LYS781, MET1I, PRO23I, PRO32I, PRO681, SER42I, THR40I, TYR711, VAL37I, VAL491, VAL511, VAL701, VAL741
• N-U: ALA67U, ALA68U, ALA96U, ALA99U, ARG101U, ARG12N, ARG35N, ARG39N, ARG53U, ARG59U, ARG64U, ARG70U, ARG92U, ASN45N, ASN66U, ASN94U, ASP41N, ASP56U, ASP91U, ASP97U, CYS69U, GLN71U, GLY36N, HIS38N, HIS72U, ILE65U, LEU60U, LEU95U, LEU98U, LYS2N, LYS37N, LYS93U, MET1N, MET48N, PHE106U, PHE57U, PRO103U, PRO40N, PRO44N, PRO6N, THR32N, THR3N, THR43N, TRP42N, TRP61U, TYR4N, VAL100U, VAL46N, VAL5N, VAL63U
• N-V: ARG13V, ARG21V, GLN11V, ILE4V, LEU18V, LEU20V, LYS2N, MET1N, TYR12V, VAL14V, VAL5V
• O-T: ALA118O, ALA11O, ALA76O, ALA83O, ARG103T, ARG104O, ARG107O, ARG39T, ARG41T, ARG51T, ARG64O, ARG64T, ARG71O, ARG74T, ARG78O, ARG97O, ASN104T, ASN38T, ASN82O, ASP44T, ASP73O, ASP80O, ASP81O, GLN43T, GLU105O, GLU108O, GLU120O, GLU36T, GLU46T, GLU68O, GLU73T, GLU9O, GLY100O, GLY37T, GLY69T, GLY71T, GLY74O, ILE50T, ILE69O, ILE75T, ILE77O, ILE83T, LEU122O, LEU82T, LYS33T, LYS35T, LYS65T, LYS66O, LYS70O, MET112O, PHE45T, PHE61T, PHE76T, PHE79O, PHE99O, PRO101O, PRO119O, PRO72O, PRO77T, PRO81T, SER67T, SER75O, SER80T, THR60T, THR62T, TYR100T, TYR32T, TYR68T, VAL102O, VAL115O, VAL121O, VAL30T, VAL34T, VAL63O, VAL63T, VAL66T, VAL70T, VAL72T, VAL98O
• P-U: ALA4U, ARG18P, ARG36U, GLY22P, PHE40U, PRO23P
• P-V: ARG82V, ARG83V, GLN80V, GLY22P, GLY24P, GLY26P, GLY28P, HIS35P, LYS29P, LYS78V, PHE75V, PRO23P, SER25P, THR30P, TYR81V, VAL79V
• P-8: ALA108, ALA248, ALA518, ALA558, ARG138, ARG308, ARG468, ARG49P, ARG50P, ARG55P, ARG578, ARG61P, ARG65P, ASP47P, GLN68P, GLU52P, GLU548, GLU568, GLY288, GLY458, GLY53P, GLY66P, GLY69P, GLY98, HIS78, ILE588, LEU508, LEU59P, LEU608, LEU618, LEU628, LEU62P, LYS118, LYS128, LYS158, LYS268, LYS298, LYS448, LYS46P, LYS478, LYS58, LYS598, LYS64P, LYS88, MET258, MET48, MET60P, MET67P, PHE488, PHE51P, PRO48P, PRO538, PRO638, PRO63P, THR278, THR57P, THR58P, THR68, VAL148, VAL228, VAL238
• Q-Z: ALA107Q, ALA113Z, ALA136Q, ALA140Q, ALA173Z, ALA184Z, ALA187Z, ALA189Z, ALA192Z, ALA20Q, ALA28Q, ALA36Q, ALA51Z, ALA53Q, ARG101Q, ARG10Q, ARG112Z, ARG122Z, ARG133Q, ARG134Q, ARG49Z, ARG51Q, ARG56Q, ARG59Q, ARG5Q, ARG60Q, ARG6Q, ARG72Z, ARG79Z, ARG80Z, ARG81Z, ARG82Z, ASN75Z, ASP123Z, ASP135Q, ASP138Q, ASP179Z, ASP25Q, ASP31Q, ASP45Z, ASP77Z, ASP87Z, GLN118Z, GLN141Q, GLN50Z, GLN73Z, GLU105Q, GLU119Z, GLU139Q, GLU178Z, GLU181Z, GLU186Z, GLU190Z, GLU193Z, GLU195Z, GLU38Q, GLU48Q, GLU84Z, GLY100Q, GLY108Q, GLY110Z, GLY114Z, GLY115Z, GLY19Q, GLY23Q, GLY24Q, GLY30Q, GLY33Q, GLY61Q, GLY62Q, HIS54Z, HIS57Q, HIS85Z, ILE120Z, ILE131Q, ILE146Z, ILE197Z, ILE53Z, ILE64Q, ILE66Q, LEU117Z, LEU183Z, LEU24Z, LEU37Q, LEU41Z, LEU76Z, LYS11Q, LYS130Q, LYS182Z, LYS18Q, LYS198Z, LYS22Q, LYS46Z, LYS63Q, LYS78Z, LYS8Q, LYS98Q, MET1Q, MET3Q, MET54Q, MET7Q, PHE104Z, PHE29Q, PHE44Z, PHE48Z, PHE58Q, PHE65Q, PRO101Z, PRO176Z, PRO177Z, PRO194Z, PRO39Q, PRO4Q, PRO73Q, PRO83Z, PRO99Q, SER52Z, THR21Q, TYR137Q, TYR26Q, TYR32Q, TYR93Q, TYR99Z, TYR9Q, VAL102Q, VAL106Q, VAL109Q, VAL111Z, VAL116Z, VAL132Q, VAL174Z, VAL175Z, VAL180Z, VAL191Z, VAL196Z, VAL27Q, VAL35Q, VAL39Z, VAL42Z, VAL47Z, VAL52Q, VAL55Q, VAL71Z, VAL74Z, VAL86Z, VAL90Q
• Q-0: ARG10Q, ARG110, ASN120, GLY84Q, GLY86Q, LYS11Q, LYS77Q, LYS85Q, LYS87Q, SER90, THR100
• R-T: ARG3T, LEU4R
• R-W: ALA101R, ALA109R, ARG103R, ARG104R, ARG105R, ARG37W, ARG42W, ASN40W, ASP107R, GLU102R, GLY106R, GLY108R, LEU100R, LYS41W, PHE46W, PRO110R, THR39W, TYR38W, TYR45W
• R-5: ALA101R, ALA112R, ALA535, ARG103R, ARG33R, ARG555, ARG96R, CYS465, GLU102R, GLU115R, GLU118R, GLU485, GLU595, GLY505, HIS435, LEU100R, LEU111R, LEU113R, LEU305, LEU585, LEU98R, LYS405, LYS565, LYS99R, MET395, PRO110R, PRO285, PRO415, PRO425, PRO475, THR35R, THR445, TYR515, TYR525, VAL117R, VAL38R, VAL455, VAL575, VAL97R
• S-0: ARG20S, ARG720, ARG740, ASN16S, ASN500, GLU43S, GLY22S, GLY480, GLY520, HIS800, LEU4S, LEU590, LEU620, LEU750, LYS19S, LYS460, LYS490, MET530, PHE12S, PRO470, PRO830, TYR780, VAL510, VAL790
• U-V: ALA107U, ALA113U, ALA116U, ALA3V, ALA41U, ALA42U, ALA46U, ALA48U, ALA77V, ALA86U, ARG101U, ARG112U, ARG13V, ARG21V, 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, GLY9V, HIS87V, ILE17U, ILE4V, ILE70V, ILE88U, LEU109U, LEU20U, LEU20V, LEU38V, LEU39U, LEU39V, LEU40V, LEU71V, LEU83U, LEU95U, LEU98U, LYS10V, LYS16U, LYS44V, LYS51U, LYS54U, LYS6V, LYS74V, LYS76V, LYS84U, LYS84V, LYS85U, LYS85V, LYS93U, MET1V, PHE106U, PHE2V, PHE40U, PHE75V, PRO103U, PRO50V, SER73V, THR45V, THR49V, TRP61U, TYR12V, TYR45U, TYR47U, TYR81V, VAL100U, VAL105U, VAL110U, VAL14V, VAL37V, VAL46V, VAL47V, VAL51V, VAL52V, VAL5V, VAL72V, VAL90U
• U-5: ALA145, ARG155, ARG165, ARG28U, GLY26U, LEU27U, LYS105, LYS135, LYS30U, LYS34U, LYS95, SER125, SER29U, SER31U, TRP25U
• W-5: ALA245, ALA32W, ALA385, ALA44W, ARG15W, ARG165, ARG18W, ARG195, ARG205, ARG33W, ARG37W, ARG92W, ASN34W, ASN40W, ASP175, ASP22W, CYS465, GLU30W, GLU31W, GLU485, GLY43W, HIS235, HIS45, ILE24W, ILE35W, LEU19W, LEU23W, LEU255, LEU305, LEU36W, LYS16W, LYS27W, LYS375, LYS405, LYS41W, MET395, PRO275, PRO285, PRO325, PRO415, PRO475, THR265, THR295, THR39W, THR445, TYR38W, VAL17W, VAL20W, VAL21W, VAL315, VAL455, VAL605
• X-2: ALA10X, ALA392, ALA42X, ALA46X, ALA4X, ALA91X, ARG262, ARG302, ARG362, ARG682, ASP6X, GLN382, GLN432, GLU222, GLU272, GLU312, GLU342, GLU44X, GLY422, GLY94X, HIS31X, ILE412, ILE572, ILE89X, ILE8X, LEU13X, LEU212, LEU242, LEU322, LEU612, LEU642, LEU92X, LEU95X, LEU9X, LYS232, LYS282, LYS292, LYS2X, LYS48X, MET1X, MET332, PHE28X, PHE372, PHE47X, PRO11X, PRO182, SER402, THR27X, THR3X, THR45X, TRP29X, TYR18X, TYR26X, TYR5X, VAL12X, VAL192, VAL252, VAL30X, VAL43X, VAL7X
• X-7: ARG477, ARG60X, ASP75X, LYS487, LYS63X
• 0-8: ARG550, LYS398
• 6-8: ALA226, ALA26, ARG428, ARG66, ASN338, GLN358, GLU246, GLY388, HIS318, ILE418, ILE546, ILE76, LEU106, LEU328, LEU96, LYS256, LYS368, LYS86, SER36, THR236, TRP348, TYR216