2HGQ

crystal structure of the 70s thermus thermophilus ribosome with translocated and rotated shine-dalgarno duplex. this entry 2hgq contains 50s ribosomal subunit. the 30s ribosomal subunit can be found in pdb entry 2hgp.

• Total interactions analyzed: 496
• Total true interactions: 28
• Strongest Interaction:
  • Chains: F-O
  • Int. Res.: 32
  • Norm. En. per Res.: -2.4528
• 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-M	0.0	0.0	-23.8296	-23.8296	12	1	0	937	0	0	1
E-N	-16.1904	-7.5734	-17.7388	-41.5025	17	4	0	718	0	11	6
E-Q	0.0	0.0	-3.9473	-3.9473	14	1	0	430	0	0	12
E-S	-10.1192	-1.0523	-101.246	-112.4175	69	28	7	7183	0	23	19
F-O	-20.8447	5.8717	-63.5164	-78.4893	32	35	0	3461	2	7	12
F-T	0.0	0.0	-0.9535	-0.9535	9	0	0	202	0	0	1
F-6	0.0	0.0	-0.2834	-0.2834	6	0	0	76	0	0	0
H-8	0.0	-7.8854	-5.4675	-13.3529	12	1	0	327	0	2	5
K-3	-10.7514	-3.8785	-16.0069	-30.6368	28	4	0	1132	0	4	9
L-P	0.0	0.0	-0.0157	-0.0157	2	0	0	11	0	0	3
L-Y	0.0	5.6999	-2.1819	3.518	18	5	0	773	0	6	6
M-T	-35.6492	-1.5677	-67.1004	-104.3173	46	42	1	5104	1	7	22
M-U	0.0	0.0	-1.2182	-1.2182	9	0	0	341	0	2	5
N-S	-95.6789	-11.8575	-97.6836	-205.2201	86	110	8	11119	0	32	47
O-U	-3.469	11.0543	-3.9625	3.6227	11	6	0	482	0	0	8
O-7	-18.4435	-0.6946	-100.657	-119.7951	60	69	1	7656	1	22	51
P-Y	-4.1346	1.5928	-48.4155	-50.9573	91	36	1	5373	0	51	42
P-Z	-11.4662	14.6753	6.2287	9.4378	24	17	0	1577	0	3	11
P-8	0.0	0.0	-0.2739	-0.2739	4	0	0	67	0	2	2
Q-V	0.0	1.1114	-14.6774	-13.566	18	2	0	824	0	5	7
Q-4	-10.5487	-3.8983	-44.3433	-58.7903	42	19	1	2832	2	6	14
R-Z	0.0	-8.7535	-1.8888	-10.6423	13	0	0	194	1	7	8
T-U	-49.6852	32.5836	-99.4494	-116.551	90	140	5	9675	2	24	52
T-4	0.0	0.0	-9.0153	-9.0153	12	2	0	602	0	0	8
V-4	0.0	27.7379	-56.6724	-28.9345	48	40	3	4262	0	9	18
W-1	0.0	-18.5037	-21.3578	-39.8615	43	42	1	3844	0	8	9
W-6	0.0	0.0	-2.0145	-2.0145	5	0	0	193	0	1	5
5-7	0.0	0.8316	-2.5623	-1.7307	21	20	0	1524	0	5	3

Interface residues

• E-M: ARG149E, ARG74M, GLY153E, GLY77M, GLY80M, LYS152E, PRO147E, PRO79M, SER76M, TYR151E, TYR75M, TYR78M
• E-N: ALA20E, ARG107N, ARG13E, ARG19E, ARG71N, ASP17E, ASP18E, ASP73N, GLY74N, ILE14E, LYS70N, PHE15E, PRO72N, SER75N, THR12E, VAL21E, VAL69N
• E-Q: ALA114E, ALA162E, ARG111E, ARG2Q, GLY110E, GLY112E, GLY161E, HIS159E, HIS3Q, LEU4Q, LYS109E, LYS118E, LYS5Q, PHE113E
• E-S: ALA20E, ALA5S, ARG13E, ARG13S, ARG16E, ARG16S, ARG19E, ARG3S, ARG41S, ARG64S, ASN180E, ASN192E, ASN2S, ASN58S, ASP174E, ASP17E, ASP18E, GLN43S, GLN84S, GLU11S, GLU178E, GLU179E, GLY10E, GLY193E, GLY194E, GLY4S, GLY6E, HIS79S, ILE14E, ILE176E, ILE26E, ILE7S, ILE83S, LEU181E, LEU182E, LEU183E, LEU27E, LEU6S, LEU78S, LEU82S, LEU9S, LYS35S, LYS85S, LYS8E, LYS8S, MET11E, MET1S, PHE15E, PHE51E, PHE61S, PRO177E, PRO22E, PRO81S, SER80S, THR12E, THR24E, THR59S, THR60S, THR62S, TYR14S, VAL10S, VAL15S, VAL173E, VAL175E, VAL21E, VAL23E, VAL25E, VAL7E, VAL9E
• F-O: ALA12O, ARG117F, ARG15O, ARG188F, ARG38F, ARG41O, ARG7O, ASN13O, ASN29F, ASN9O, ASP116F, GLN38O, GLU190F, GLU35F, GLY11O, HIS31F, ILE186F, LEU32F, LEU33F, LEU6O, LYS14O, PHE90F, PRO10O, PRO30F, PRO8O, THR189F, TRP34F, TYR99F, VAL187F, VAL36F, VAL37F, VAL89F
• F-T: ALA49F, ALA4T, ARG3T, LYS52F, PRO2T, PRO92F, SER50F, THR48F, VAL88F
• F-6: ALA58F, ARG336, ARG346, GLY386, LYS376, TYR59F
• H-8: ALA156H, ARG170H, ARG188, ARG59H, ASN298, CYS118, CYS278, GLU288, HIS328, LYS172H, LYS318, PRO308
• K-3: ARG27K, ARG583, ARG613, ARG623, ASN28K, ASN43K, ASP653, GLN463, GLN473, GLY24K, GLY453, GLY643, GLY703, LEU31K, LEU38K, LYS693, MET1K, PHE593, PRO23K, PRO32K, SER42K, SER663, THR40K, THR443, TYR29K, TYR633, TYR673, VAL37K
• L-P: ARG59P, ARG93L
• L-Y: ALA109Y, ALA113Y, ARG112Y, ARG132L, ARG93L, ARG98L, GLU137L, GLU145Y, GLU94L, GLY110Y, GLY114Y, GLY115Y, GLY92L, LYS95L, PRO108Y, PRO177Y, VAL111Y, VAL180Y
• M-T: ALA67T, ALA68T, ALA96T, ALA99T, ARG101T, ARG35M, ARG39M, ARG59T, ARG64T, ARG70T, ASN66T, ASN75T, ASN94T, ASP41M, ASP97T, CYS69T, GLN71T, GLU102T, GLY36M, HIS38M, HIS72T, ILE62T, ILE65T, LEU60T, LEU95T, LEU98T, LYS2M, LYS37M, LYS7M, LYS93T, MET48M, PHE106T, PHE57T, PRO103T, PRO40M, PRO44M, PRO6M, THR32M, THR3M, THR43M, TRP42M, TRP61T, TYR4M, VAL100T, VAL5M, VAL63T
• M-U: ARG13U, ARG21U, LYS19U, LYS2M, LYS6U, PHE2U, TYR12U, TYR4M, VAL14U
• N-S: ALA103N, ALA118N, ALA11N, ALA76N, ARG103S, ARG104N, ARG107N, ARG111S, ARG17N, ARG39S, ARG41S, ARG53S, ARG64N, ARG64S, ARG71N, ARG74S, ARG78N, ARG97N, ASN104S, ASN38S, ASN82N, ASP107S, ASP73N, ASP80N, ASP81N, GLN84S, GLU105N, GLU108N, GLU120N, GLU36S, GLU46S, GLU68N, GLU73S, GLU9N, GLY100N, GLY37S, GLY69S, GLY71S, GLY74N, HIS79S, ILE42S, ILE48S, ILE50S, ILE75S, ILE77N, ILE83S, LEU105S, LEU106N, LEU122N, LEU78S, LEU82S, LYS109N, LYS35S, LYS65S, LYS66N, LYS67N, LYS70N, MET112N, PHE101S, PHE111N, PHE76S, PHE79N, PHE99N, PRO101N, PRO119N, PRO72N, PRO77S, SER106S, SER116N, SER67S, SER75N, THR62S, THR65N, TYR68S, VAL102N, VAL115N, VAL121N, VAL34S, VAL62N, VAL63N, VAL63S, VAL66S, VAL69N, VAL70S, VAL72S, VAL98N
• O-U: ARG82U, ARG83U, GLY26O, HIS27O, LYS29O, LYS76U, LYS78U, LYS84U, LYS85U, TYR81U, VAL79U
• O-7: ALA107, ALA247, ALA517, ALA557, ARG137, ARG307, ARG467, ARG49O, ARG50O, ARG55O, ARG577, ARG61O, ASP47O, GLU52O, GLU547, GLU567, GLY287, GLY44O, GLY457, GLY53O, GLY54O, GLY97, HIS317, HIS77, ILE587, LEU106O, LEU327, LEU45O, LEU59O, LEU607, LEU627, LEU62O, LYS117, LYS127, LYS157, LYS267, LYS297, LYS37, LYS447, LYS46O, LYS477, LYS527, LYS57, LYS597, LYS87, MET257, MET60O, PHE51O, PRO48O, PRO537, PRO637, SER56O, THR277, THR57O, THR58O, THR67, TYR647, VAL147, VAL237, VAL497
• P-Y: ALA107P, ALA136P, ALA140P, ALA164Y, ALA173Y, ALA51Y, ARG101P, ARG103Y, ARG122Y, ARG133P, ARG134P, ARG49Y, ARG59P, ARG60P, ARG72Y, ARG79Y, ARG80Y, ARG81Y, ARG82Y, ASP123Y, ASP135P, ASP138P, ASP179Y, ASP25P, ASP31P, GLN118Y, GLN141P, GLN73Y, GLU119Y, GLU139P, GLU178Y, GLU38P, GLU97Y, GLY100P, GLY108P, GLY114Y, GLY115Y, GLY23P, GLY24P, GLY30P, GLY61P, GLY62P, HIS121Y, HIS54Y, HIS55Y, ILE120Y, ILE124Y, ILE131P, ILE53Y, ILE64P, LEU102Y, LEU117Y, LEU37P, LEU70Y, LEU76Y, LYS130P, LYS22P, LYS63P, LYS78Y, LYS98P, MET98Y, PHE29P, PHE48Y, PHE58P, PHE65P, PRO101Y, PRO176Y, PRO177Y, PRO39P, PRO83Y, PRO99P, SER52Y, THR110P, THR21P, TYR137P, TYR26P, TYR32P, TYR99Y, VAL100Y, VAL106P, VAL109P, VAL111Y, VAL116Y, VAL126Y, VAL132P, VAL165Y, VAL175Y, VAL35P, VAL55P, VAL71Y, VAL74Y
• P-Z: ARG11Z, ARG14P, ARG14Z, ARG82P, ASN12Z, ASN89P, GLU80P, GLY6Z, GLY84P, GLY86P, GLY88P, GLY8Z, HIS3Z, LEU79P, LEU7Z, LYS4Z, LYS5Z, LYS85P, LYS87P, MET83P, PRO78P, SER9Z, THR10Z, VAL81P
• P-8: ARG119P, HIS123P, LYS88, SER68
• Q-V: ALA101Q, ALA109Q, ALA44V, ARG103Q, ARG104Q, ARG105Q, ARG37V, ARG42V, ASN40V, ASP107Q, GLU102Q, GLY106Q, GLY108Q, LYS41V, PRO110Q, THR39V, TYR38V, TYR45V
• Q-4: ALA101Q, ALA112Q, ALA534, ARG103Q, ARG33Q, ARG554, ARG96Q, CYS464, GLU102Q, GLU115Q, GLU118Q, GLU484, GLY32Q, GLY504, GLY544, HIS434, ILE34Q, LEU100Q, LEU111Q, LEU113Q, LEU116Q, LEU584, LEU98Q, LYS404, LYS42Q, LYS564, LYS99Q, MET394, PRO110Q, PRO284, PRO414, PRO424, PRO474, THR444, TYR514, TYR524, VAL114Q, VAL117Q, VAL38Q, VAL454, VAL574, VAL97Q
• R-Z: ARG15R, ARG23R, ARG72Z, ASP42R, GLU43R, ILE18R, LEU75Z, LYS19R, LYS44R, LYS49Z, PRO47Z, THR21R, TYR78Z
• T-U: ALA3U, ALA41T, ALA42T, ALA46T, ALA48T, ALA55U, ALA77U, ALA86T, ALA96T, ALA99T, ARG101T, ARG112T, ARG13U, ARG21U, ARG36T, ARG50T, ARG53T, ARG83U, ARG92T, ASN44T, ASN94T, ASP91T, ASP97T, GLN104T, GLN11U, GLN80U, GLN89U, GLU102T, GLU108T, GLU111T, GLU37T, GLU43U, GLU53U, GLU89T, GLY41U, GLY42U, GLY43T, GLY48U, GLY54U, GLY86U, GLY87T, GLY9U, HIS49T, HIS87U, ILE4U, ILE88T, LEU109T, LEU20T, LEU38U, LEU39T, LEU39U, LEU40U, LEU83T, LEU95T, LEU98T, LYS10U, LYS44U, LYS51T, LYS6U, LYS74U, LYS76U, LYS78U, LYS84U, LYS85U, LYS93T, PHE2U, PHE40T, PHE75U, PRO50U, SER56U, SER73U, THR38T, THR45U, THR49U, TRP61T, TYR12U, TYR45T, TYR47T, TYR81U, TYR91U, VAL105T, VAL14U, VAL46U, VAL47U, VAL51U, VAL52U, VAL57U, VAL5U, VAL79U, VAL90T
• T-4: ALA144, ARG154, GLY26T, LEU27T, LYS104, LYS134, LYS30T, LYS94, SER124, SER29T, THR114, TRP25T
• V-4: ALA244, ALA32V, ALA384, ARG15V, ARG164, ARG18V, ARG194, ARG204, ARG33V, ARG37V, ASN34V, ASN40V, ASP22V, CYS334, CYS464, GLU30V, GLU31V, GLU484, HIS234, ILE24V, ILE35V, LEU19V, LEU23V, LEU254, LEU304, LEU36V, LYS16V, LYS27V, LYS374, LYS404, LYS41V, MET394, PRO274, PRO284, PRO324, PRO414, PRO474, THR264, THR294, THR39V, THR444, TYR38V, TYR75V, VAL17V, VAL20V, VAL21V, VAL314, VAL454
• W-1: ALA10W, ALA341, ALA42W, ALA46W, ALA4W, ALA91W, ARG211, ARG251, ARG311, ARG76W, ASP6W, GLN331, GLU221, GLU261, GLU291, HIS31W, ILE361, ILE521, ILE89W, ILE8W, ILE96W, LEU13W, LEU271, LEU561, LEU591, LEU92W, LEU95W, LEU9W, LYS241, LYS48W, LYS491, MET281, PHE321, PHE47W, PRO11W, SER351, THR3W, THR45W, TRP29W, TYR5W, VAL201, VAL30W, VAL7W
• W-6: ARG496, ARG60W, LYS486, LYS62W, LYS72W
• 5-7: ALA225, ARG427, ASN265, CYS135, GLN357, GLU125, GLU245, GLU407, GLY387, ILE417, LEU105, LEU115, LEU95, LYS255, LYS275, LYS367, LYS397, SER377, THR235, TRP347, TYR395