3KNM

the structures of capreomycin bound to the 70s ribosome. this file contains the 50s subunit for molecule i.

• Total interactions analyzed: 496
• Total true interactions: 29
• Strongest Interaction:
  • Chains: O-T
  • Int. Res.: 77
  • Norm. En. per Res.: -4.3287
• 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	-46.2114	-46.2114	13	0	0	1414	0	0	2
E-O	0.0	2.8006	-25.7277	-22.9271	15	0	0	1024	0	8	6
E-R	-22.4662	1.7659	-24.3899	-45.0902	16	6	0	1485	0	1	10
E-T	-6.1808	-4.5793	-127.455	-138.2151	78	11	6	6884	2	19	15
F-P	-9.5555	31.696	-89.3874	-67.2469	45	13	1	4749	0	17	21
F-U	0.0	0.0	-1.8417	-1.8417	11	0	0	373	0	0	2
F-7	0.0	0.0	-0.0004	-0.0004	2	0	0	1	0	0	0
G-4	-35.1459	15.48	-168.766	-188.4318	75	24	4	8011	0	16	19
I-1	0.0	0.0	-36.8775	-36.8775	31	2	1	1925	0	4	9
N-U	-13.5361	-8.8377	-127.224	-149.5978	48	12	1	5723	0	9	25
N-V	0.0	2.4761	-14.6088	-12.1327	14	2	0	809	0	1	5
N-9	0.0	0.0	-0.0033	-0.0033	3	0	0	5	0	1	1
O-T	-82.7603	4.1507	-254.698	-333.3076	77	52	5	10710	7	41	37
P-U	0.0	0.0	-0.0054	-0.0054	4	0	0	9	0	0	1
P-V	0.0	8.8777	-5.1373	3.7404	12	0	0	426	0	0	6
P-8	-7.419	57.3107	-170.547	-120.6553	61	37	0	8438	2	17	60
Q-Z	-6.3224	-33.2874	-167.012	-206.6218	99	30	3	9048	2	48	52
Q-0	0.0	5.9802	-54.0625	-48.0823	24	5	1	2663	0	3	12
Q-9	0.0	0.0	-1.7979	-1.7979	6	0	0	131	0	2	2
R-W	0.0	-23.7876	-19.9685	-43.7561	17	6	0	880	1	6	9
R-5	0.0	9.8669	-50.5969	-40.73	34	5	3	3015	0	8	14
S-0	0.0	-4.3121	-3.9688	-8.281	15	0	0	213	0	8	9
U-V	-23.3914	-37.2258	-217.975	-278.5922	93	45	10	10949	3	18	39
U-5	0.0	1.3133	-4.2971	-2.9838	14	0	0	489	0	1	9
W-5	-12.5503	24.9904	-116.046	-103.6059	52	9	3	5116	1	13	21
X-2	-5.7205	-12.9415	-111.599	-130.261	48	6	1	4651	2	9	11
X-7	0.0	0.0	-7.413	-7.413	8	4	0	201	0	1	6
0-8	0.0	0.0	-0.0119	-0.0119	4	0	0	14	0	2	2
6-8	0.0	0.0	-33.8099	-33.8099	21	1	0	1456	0	4	3

Interface residues

• E-N: ARG149E, GLY153E, GLY77N, GLY80N, GLY81N, LYS152E, LYS154E, PRO79N, SER76N, TYR151E, TYR75N, TYR78N, VAL150E
• E-O: ALA20E, ARG13E, ARG19E, ARG71O, ASP17E, ASP18E, ASP73O, GLY74O, ILE14E, LYS70O, PHE15E, PRO22E, PRO72O, SER75O, VAL21E
• E-R: ALA114E, ALA162E, ARG111E, ARG2R, GLY110E, GLY112E, GLY161E, HIS159E, HIS3R, 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, GLY194E, GLY29E, GLY4T, GLY56T, GLY6E, HIS79T, ILE14E, ILE176E, ILE26E, ILE75T, ILE7T, LEU181E, LEU182E, LEU183E, LEU195E, LEU27E, LEU52E, LEU6T, LEU78T, LEU82T, LEU9T, LYS33T, LYS8E, LYS8T, MET11E, MET1T, PHE15E, PHE51E, PHE57T, PHE76T, PRO53E, PRO77T, PRO81T, SER12T, SER80T, THR12E, THR24E, THR59T, THR60T, TYR14T, TYR32T, VAL10T, VAL15T, VAL173E, VAL175E, VAL196E, VAL21E, VAL23E, VAL25E, VAL34T, VAL75E, VAL7E, VAL9E
• F-P: ALA113F, ALA12P, ARG117F, ARG119F, ARG15P, ARG16P, ARG188F, ARG18P, ARG33P, ARG38F, ARG44F, ARG7P, ARG95F, ASN13P, ASN29F, ASN9P, ASP116F, ASP185F, ASP5P, GLN40F, 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, ALA4U, ARG3U, ARG45F, ARG95F, GLY91F, PRO2U, PRO92F, THR51F, TYR97F, VAL88F
• F-7: LYS377, SER60F
• G-4: ALA110G, ALA384, ALA61G, ALA6G, ARG113G, ARG115G, ARG118G, ARG394, ARG98G, ASN108G, ASN464, ASP116G, ASP147G, ASP4G, ASP97G, CYS424, CYS444, CYS624, CYS654, GLN58G, GLU104G, GLU143G, GLU494, GLU564, GLU604, GLY119G, GLY177G, GLY434, GLY65G, HIS664, ILE101G, ILE114G, ILE140G, ILE144G, ILE404, ILE414, ILE484, ILE574, ILE63G, LEU103G, LEU106G, LEU107G, LEU111G, LEU3G, LEU62G, LEU7G, LYS105G, LYS544, LYS644, PHE102G, PHE117G, PHE141G, PHE684, PRO112G, PRO142G, PRO179G, PRO2G, PRO374, PRO554, PRO674, SER524, SER634, THR145G, THR504, THR534, THR64G, TRP100G, TYR146G, TYR514, TYR584, VAL109G, VAL364, VAL594, VAL5G, VAL614
• I-1: ALA26I, ALA641, ARG27I, ARG501, ARG521, ARG761, ASN28I, ASN43I, GLU721, GLU751, GLY34I, HIS661, ILE671, LEU31I, LEU38I, LYS481, LYS691, LYS781, MET1I, PRO23I, PRO32I, PRO681, SER42I, SER651, THR40I, TYR711, VAL37I, VAL491, VAL511, VAL701, VAL741
• N-U: ALA67U, ALA68U, ALA96U, ALA99U, ARG101U, ARG35N, ARG39N, ARG59U, ARG64U, ARG70U, ARG92U, ASN45N, ASN66U, ASN94U, ASP41N, ASP56U, ASP91U, ASP97U, CYS69U, GLN71U, GLY36N, HIS38N, ILE62U, 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: ALA3V, ARG13V, GLN11V, ILE4V, LEU18V, LEU20V, LYS10V, LYS19V, LYS2N, MET1N, PHE2V, TYR12V, VAL14V, VAL5V
• N-9: GLY219, HIS209, LYS65N
• O-T: ALA103O, ALA118O, ALA11O, ALA76O, ALA83O, ARG103T, ARG104O, ARG107O, ARG39T, ARG41T, ARG51T, ARG64O, ARG64T, ARG71O, ARG74T, ARG78O, 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, PHE45T, PHE76T, PHE79O, PHE99O, PRO101O, PRO119O, PRO72O, PRO77T, PRO81T, SER31T, SER67T, SER75O, SER80T, THR60T, THR62T, THR65O, TYR100T, TYR32T, TYR68T, VAL102O, VAL115O, VAL121O, VAL34T, VAL63O, VAL63T, VAL66T, VAL70T, VAL72T
• P-U: ARG36U, GLY26P, LYS13U, SER25P
• 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, GLY53P, 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, PHE488, PHE51P, PRO48P, PRO538, PRO63P, SER56P, THR278, THR57P, THR58P, THR68, TYR648, VAL148, VAL228, VAL238, VAL498
• Q-Z: ALA107Q, ALA112Z, ALA136Q, ALA172Z, ALA20Q, ALA28Q, ALA36Q, ARG101Q, ARG111Z, ARG121Z, ARG133Q, ARG134Q, ARG48Z, ARG51Q, ARG56Q, ARG59Q, ARG60Q, ARG67Q, ARG71Z, ARG78Z, ARG79Z, ARG80Z, ARG81Z, ASN74Z, ASP122Z, ASP135Q, ASP138Q, ASP25Q, ASP31Q, ASP44Z, ASP76Z, GLN117Z, GLN49Z, GLN72Z, GLU118Z, GLU139Q, GLU177Z, GLU38Q, GLY100Q, GLY108Q, GLY113Z, GLY114Z, GLY19Q, GLY23Q, GLY24Q, GLY30Q, GLY33Q, GLY61Q, GLY62Q, HIS120Z, HIS53Z, ILE119Z, ILE131Q, ILE52Z, ILE64Q, ILE66Q, LEU116Z, LEU17Q, LEU34Q, LEU37Q, LEU75Z, LYS128Q, LYS130Q, LYS18Q, LYS22Q, LYS63Q, LYS77Z, LYS98Q, MET54Q, PHE29Q, PHE43Z, PHE47Z, PHE58Q, PHE65Q, PRO175Z, PRO176Z, PRO39Q, PRO82Z, PRO99Q, SER51Z, THR129Q, THR21Q, TYR137Q, TYR26Q, TYR98Z, VAL102Q, VAL106Q, VAL109Q, VAL110Z, VAL115Z, VAL132Q, VAL173Z, VAL174Z, VAL27Q, VAL35Q, VAL55Q, VAL70Z, VAL73Z, VAL85Z
• 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, ARG103R, ARG104R, ARG105R, ARG37W, ARG42W, ASN40W, ASP107R, GLU102R, GLY106R, GLY108R, LYS41W, PRO110R, THR39W, TYR38W, TYR45W
• R-5: ALA101R, ALA112R, ALA535, ARG103R, ARG33R, ARG555, ARG96R, CYS465, GLU102R, GLU115R, GLU485, GLY505, GLY545, HIS435, ILE34R, LEU100R, LEU111R, LEU113R, LEU305, LEU98R, LYS405, LYS565, LYS99R, MET395, PRO415, PRO425, PRO475, THR445, TYR515, TYR525, VAL38R, VAL455, VAL575, VAL97R
• S-0: ARG15S, ARG23S, ARG720, ASN500, GLN700, GLU43S, GLY480, HIS800, ILE18S, LEU620, LEU750, LYS490, THR21S, TYR780, VAL510
• U-V: ALA107U, ALA113U, 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, GLY9V, HIS87V, ILE17U, ILE4V, ILE70V, ILE88U, LEU109U, LEU20U, 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, THR7V, TRP61U, TYR12V, TYR45U, TYR47U, TYR81V, VAL105U, VAL110U, VAL14V, VAL46V, VAL47V, VAL51V, VAL52V, VAL5V, VAL72V, VAL90U
• U-5: ALA145, ARG155, ARG28U, GLY26U, LEU27U, LYS105, LYS135, LYS30U, LYS34U, LYS95, SER125, SER29U, SER31U, TRP25U
• W-5: ALA245, ALA25, ALA385, ALA44W, ARG15W, ARG165, ARG18W, ARG195, ARG205, ARG33W, ARG37W, ARG88W, ARG90W, ARG92W, ASN34W, ASN40W, ASP22W, ASP94W, CYS335, CYS465, GLU30W, GLU31W, GLU485, HIS235, ILE24W, ILE35W, LEU19W, LEU23W, LEU255, LEU305, LEU36W, LYS16W, LYS27W, LYS35, LYS375, LYS405, LYS41W, MET395, PRO275, PRO285, 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, GLY422, GLY94X, HIS31X, ILE412, ILE572, ILE89X, ILE8X, LEU13X, LEU322, LEU612, LEU92X, LEU9X, LYS282, LYS292, LYS48X, MET332, PHE21X, PHE28X, PHE372, PHE47X, PRO11X, SER402, THR27X, THR3X, THR45X, TRP29X, TYR18X, TYR26X, TYR5X, VAL12X, VAL252, VAL30X, VAL43X, VAL7X
• X-7: ARG417, ARG477, ARG60X, ARG97, LEU70X, LYS487, LYS63X, LYS72X
• 0-8: ARG550, GLN358, LYS398, SER378
• 6-8: ALA226, ARG66, ASN266, ASN338, GLN358, GLU126, GLU246, GLY388, HIS318, ILE418, LEU106, LEU116, LEU328, LEU96, LYS256, LYS276, LYS368, LYS86, SER378, THR236, TRP348