3OI1

structure of the thermus thermophilus 70s ribosome complexed with azithromycin. 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: 25
• Strongest Interaction:
  • Chains: O-T
  • Int. Res.: 81
  • Norm. En. per Res.: -3.4718
• 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
0-8	0.0	0.0	-0.018	-0.018	3	0	0	11	0	1	1
0-Q	0.0	0.0	-25.3044	-25.3044	21	0	0	1205	0	3	11
0-S	0.0	-2.9844	-1.6354	-4.6198	14	0	0	188	0	8	11
1-I	-5.5751	0.0	-38.7348	-44.3099	31	0	1	1773	0	6	7
2-X	-11.8607	23.9863	-95.6914	-83.5658	47	24	0	5086	1	19	21
4-G	0.0	0.0	-104.332	-104.332	71	18	3	5272	0	19	23
5-R	0.0	10.3154	-62.3195	-52.0041	33	5	3	3035	0	7	14
5-U	0.0	2.4691	-4.0551	-1.586	11	0	0	532	0	0	10
5-W	0.0	34.6204	-97.5111	-62.8907	52	10	4	4667	0	12	20
6-8	0.0	0.5458	-19.0158	-18.47	17	6	0	1222	0	7	4
7-X	0.0	0.0	-4.0949	-4.0949	9	0	0	251	0	0	8
8-P	-7.3249	16.7465	-156.696	-147.2744	57	30	0	8406	1	15	63
E-N	0.0	0.0	-18.8324	-18.8324	12	7	0	909	0	0	1
E-O	-12.6547	2.815	-29.7039	-39.5436	14	2	0	1055	0	9	8
E-R	0.0	1.7008	-46.3883	-44.6875	17	13	0	2427	0	1	13
E-T	0.0	-15.5568	-128.217	-143.7738	73	13	6	7019	0	19	17
F-P	0.0	19.8743	-77.0762	-57.2019	41	9	0	4318	0	18	21
F-U	0.0	0.0	-0.8532	-0.8532	9	0	0	242	0	0	2
N-U	-6.8356	-9.7742	-81.9932	-98.603	50	22	1	4919	0	7	25
N-V	0.0	1.0386	-21.2004	-20.1618	15	3	0	1444	0	2	5
O-T	-52.5722	-2.7285	-225.913	-281.2137	81	19	5	9903	3	42	40
P-V	0.0	5.4013	-8.2086	-2.8073	12	1	1	475	0	0	8
Q-Z	-32.9229	18.1924	-283.545	-298.2755	122	45	6	12789	6	47	54
R-W	-4.9153	-28.2541	-18.8356	-52.005	18	0	0	804	1	5	9
U-V	-28.8752	28.2647	-203.564	-204.1745	96	44	7	10754	1	21	48

Interface residues

• 0-8: ARG550, GLY388, LYS398
• 0-Q: ARG110, ARG82Q, ASN120, GLU80Q, GLY60, GLY80, GLY84Q, HIS30, LEU70, LEU79Q, LYS11Q, LYS40, LYS50, LYS77Q, LYS85Q, LYS87Q, MET83Q, PRO78Q, SER90, THR100, VAL81Q
• 0-S: ARG15S, ARG23S, ARG720, ASN500, GLU43S, GLY480, ILE18S, LEU620, LEU750, LYS490, PRO830, THR21S, TYR780, VAL510
• 1-I: ALA26I, ALA39I, ALA541, ALA641, ARG27I, ARG521, ARG761, ASN28I, ASN43I, GLU41I, GLU721, GLU751, GLY24I, HIS661, ILE671, LEU31I, LEU38I, LYS691, MET1I, PRO23I, PRO32I, PRO681, SER42I, SER651, THR40I, TYR711, VAL37I, VAL511, VAL531, VAL701, VAL741
• 2-X: ALA10X, ALA46X, ALA4X, ARG262, ARG302, ARG362, ARG512, ARG552, ASP6X, GLU202, GLU222, GLU272, GLU312, GLU342, GLU93X, ILE89X, ILE8X, LEU13X, LEU212, LEU242, LEU322, LEU352, LEU92X, LEU9X, LYS152, LYS232, LYS292, LYS48X, LYS72X, LYS88X, MET332, PHE28X, PHE47X, PRO11X, PRO182, THR27X, THR3X, THR45X, TRP29X, TYR18X, TYR26X, TYR5X, VAL12X, VAL192, VAL252, VAL43X, VAL7X
• 4-G: ALA110G, ALA124, ALA61G, ALA6G, ARG113G, ARG118G, ARG134, ARG181G, ARG96G, ARG98G, ASN108G, ASN204, ASP116G, ASP4G, ASP97G, CYS164, CYS184, GLN58G, GLN66G, GLU104G, GLU143G, GLU234, GLU304, GLU34, GLY119G, GLY174, GLY194, GLY44, GLY65G, HIS64, ILE101G, ILE114G, ILE140G, ILE144, ILE154, ILE224, ILE314, ILE54, LEU107G, LEU111G, LEU3G, LEU62G, LEU7G, LEU94, LYS105G, LYS24, LYS284, LYS67G, LYS84, MET14, PHE102G, PHE117G, PHE180G, PRO112G, PRO114, PRO142G, PRO179G, PRO294, PRO2G, PRO68G, PRO74, SER264, THR244, THR274, THR64G, TRP100G, TYR254, VAL104, VAL109G, VAL214, VAL5G
• 5-R: ALA101R, ALA112R, ALA535, ARG103R, ARG33R, ARG555, ARG96R, CYS465, GLU102R, GLU115R, GLU118R, GLU485, GLY545, HIS435, LEU100R, LEU111R, LEU113R, LEU305, LEU98R, LYS405, LYS565, LYS99R, MET395, PRO285, PRO415, PRO425, PRO475, THR445, TYR515, TYR525, VAL38R, VAL455, VAL97R
• 5-U: ALA145, ARG155, GLY26U, LEU27U, LYS105, LYS135, LYS30U, LYS34U, LYS95, SER125, TRP25U
• 5-W: ALA245, ALA25, ALA385, ARG15W, ARG165, ARG18W, ARG195, ARG205, ARG33W, ARG37W, ARG88W, ARG90W, ARG92W, ASN34W, ASN40W, ASP175, ASP22W, CYS335, CYS465, GLU30W, GLU31W, GLU485, GLY43W, 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
• 6-8: ALA226, GLN358, GLU246, GLY388, ILE418, LEU106, LEU116, LEU328, LEU96, LYS256, LYS276, LYS368, LYS398, SER378, THR236, TRP348, TYR396
• 7-X: ALA457, ARG417, ARG477, ARG68X, ARG73X, LYS487, LYS62X, TRP407, TYR69X
• 8-P: ALA108, ALA248, ALA558, ARG138, ARG308, ARG468, ARG49P, ARG50P, ARG55P, ARG578, ARG61P, ARG65P, ASP47P, GLN68P, GLU52P, GLU548, GLU568, GLY288, GLY458, GLY66P, GLY69P, GLY98, HIS318, HIS78, ILE168, ILE588, LEU59P, LEU608, LEU618, LEU62P, LYS118, LYS128, LYS158, LYS268, LYS298, LYS448, LYS478, LYS528, LYS58, LYS598, LYS64P, LYS88, MET258, MET48, MET60P, PHE51P, PRO48P, PRO538, PRO63P, THR278, THR57P, THR58P, THR68, VAL148, VAL228, VAL238, VAL498
• E-N: ARG149E, GLY153E, GLY77N, GLY80N, GLY81N, LYS152E, LYS154E, PRO79N, SER76N, TYR151E, TYR78N, VAL150E
• E-O: ALA20E, ARG13E, ARG16E, ARG19E, ARG71O, ASP18E, ASP73O, GLY74O, LYS70O, PHE15E, PRO22E, PRO72O, SER75O, VAL21E
• E-R: ALA114E, ALA162E, ARG111E, ARG136E, ARG2R, GLY110E, GLY112E, GLY161E, GLY190E, HIS3R, LYS109E, LYS118E, LYS5R, PHE113E, PRO191E, SER108E, TYR160E
• E-T: ALA20E, ALA28E, ALA5T, ARG13E, ARG13T, ARG16E, ARG16T, ARG19E, ARG39T, ARG3T, ARG53T, ASN180E, ASN192E, ASN2T, ASN55T, ASN58T, ASP174E, ASP17E, ASP18E, GLN54E, GLU11T, GLU178E, GLU179E, GLY10E, GLY193E, GLY29E, GLY4T, GLY6E, HIS79T, ILE14E, ILE176E, ILE26E, ILE75T, ILE7T, LEU181E, LEU182E, LEU183E, LEU27E, LEU52E, LEU6T, LEU78T, LEU82T, LEU9T, LYS33T, LYS8E, LYS8T, MET11E, MET1T, PHE15E, PHE51E, PHE57T, PHE61T, 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, ARG38F, ARG7P, ARG95F, ASN13P, ASN29F, ASN9P, ASP116F, ASP5P, GLU120F, GLU190F, GLU35F, GLY11P, HIS31F, ILE186F, ILE28F, LEU32F, LEU33F, LEU41F, LEU6P, LYS122F, LYS14P, LYS17P, MET112F, PRO10P, PRO30F, PRO8P, THR189F, TRP34F, TYR184F, TYR99F, VAL187F, VAL36F, VAL37F
• F-U: ALA49F, ARG3U, ARG45F, GLY91F, PRO2U, PRO92F, THR51F, TYR97F, VAL88F
• N-U: ALA67U, ALA68U, ALA96U, ALA99U, ARG101U, ARG35N, ARG39N, ARG59U, ARG64U, ARG70U, ARG92U, ASN45N, ASN66U, ASN94U, ASP41N, ASP56U, ASP91U, ASP97U, CYS69U, GLN71U, GLY36N, HIS38N, HIS72U, ILE62U, ILE65U, LEU60U, LEU95U, LEU98U, LYS137N, LYS2N, LYS37N, LYS7N, LYS93U, MET1N, MET48N, PHE106U, PHE57U, PRO103U, PRO40N, PRO44N, PRO6N, THR32N, THR3N, THR43N, TRP42N, TRP61U, TYR4N, VAL100U, VAL5N, VAL63U
• N-V: ARG13V, ARG21V, GLN11V, ILE4V, LEU18V, LEU20V, LYS10V, LYS19V, LYS2N, MET1N, THR3N, TYR12V, VAL14V, VAL22V, VAL5V
• 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, SER31T, SER67T, SER75O, SER80T, THR40T, THR60T, THR62T, THR65O, TYR100T, TYR32T, TYR68T, VAL102O, VAL115O, VAL121O, VAL34T, VAL63O, VAL63T, VAL66T, VAL70T, VAL72T
• P-V: ALA31P, ARG82V, ARG83V, GLY26P, GLY28P, HIS27P, LYS29P, LYS84V, SER25P, THR30P, THR32P, TYR81V
• Q-Z: ALA107Q, ALA113Z, ALA136Q, ALA140Q, ALA20Q, ALA28Q, ALA36Q, ALA51Z, ARG101Q, ARG112Z, ARG122Z, ARG133Q, ARG134Q, ARG49Z, ARG51Q, ARG56Q, ARG59Q, ARG60Q, ARG67Q, ARG72Z, ARG79Z, ARG80Z, ARG81Z, ARG82Z, ASN75Z, ASP123Z, ASP135Q, ASP138Q, ASP25Q, ASP31Q, ASP45Z, ASP77Z, ASP87Z, GLN118Z, GLN141Q, GLN50Z, GLN73Z, GLU105Q, GLU119Z, GLU139Q, GLU178Z, GLU38Q, GLU84Z, GLU97Z, GLY100Q, GLY108Q, GLY114Z, GLY115Z, GLY19Q, GLY23Q, GLY24Q, GLY30Q, GLY33Q, GLY61Q, GLY62Q, HIS54Z, HIS55Z, ILE120Z, ILE124Z, ILE131Q, ILE133Z, ILE53Z, ILE57Z, ILE64Q, ILE66Q, LEU117Z, LEU125Z, LEU17Q, LEU37Q, LEU70Z, LEU76Z, LEU91Z, LYS128Q, LYS130Q, LYS18Q, LYS22Q, LYS63Q, LYS78Z, LYS98Q, MET54Q, MET98Z, PHE104Z, PHE29Q, PHE44Z, PHE48Z, PHE58Q, PHE65Q, PHE88Z, PHE89Z, PRO101Z, PRO176Z, PRO177Z, PRO39Q, PRO83Z, PRO99Q, SER52Z, THR129Q, THR21Q, THR69Z, TYR137Q, TYR26Q, TYR29Z, TYR32Q, TYR99Z, VAL100Z, VAL102Q, VAL106Q, VAL109Q, VAL111Z, VAL116Z, VAL126Z, VAL132Q, VAL175Z, VAL27Q, VAL35Q, VAL52Q, VAL55Q, VAL56Z, VAL71Z, VAL74Z, VAL90Z, VAL96Z
• R-W: ALA101R, ALA109R, ARG103R, ARG104R, ARG105R, ARG37W, ARG42W, ASN40W, ASP107R, GLU102R, GLY106R, GLY108R, LEU100R, LYS41W, PRO110R, THR39W, TYR38W, TYR45W
• U-V: ALA107U, ALA35U, ALA3V, ALA41U, ALA42U, ALA46U, ALA48U, ALA55V, ALA77V, ALA86U, ALA96U, ARG101U, ARG112U, ARG13V, ARG36U, ARG50U, ARG53U, ARG82V, ARG83V, ARG88V, ARG92U, ASN44U, ASN94U, ASP91U, ASP97U, GLN104U, GLN11V, GLN80V, GLN89V, GLU102U, GLU108U, GLU15V, GLU37U, GLU43V, GLU53V, GLU89U, GLY41V, GLY42V, GLY43U, GLY48V, GLY54V, GLY87U, GLY8V, GLY9V, HIS87V, ILE17U, ILE4V, ILE88U, LEU109U, LEU20U, LEU38V, LEU39U, LEU39V, LEU40V, LEU83U, LEU95U, LEU98U, LYS10V, LYS16U, LYS44V, LYS51U, LYS54U, LYS6V, LYS74V, LYS76V, LYS78V, LYS84U, LYS84V, LYS85U, LYS85V, LYS93U, MET1V, PHE106U, PHE2V, PHE40U, PHE75V, PRO103U, PRO50V, SER73V, THR38U, THR49V, THR7V, TYR12V, TYR24U, TYR45U, TYR47U, TYR81V, VAL105U, VAL14V, VAL47V, VAL51V, VAL52V, VAL5V, VAL72V, VAL79V, VAL90U