3ORA

crystal structure of the e. coli ribosome bound to cem-101. this file contains the 30s subunit of the second 70s ribosome.

• Total interactions analyzed: 210
• Total true interactions: 23
• Strongest Interaction:
  • Chains: J-N
  • Int. Res.: 56
  • Norm. En. per Res.: -5.1952
• Hub Node: C(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
B-E	0.0	0.0	-0.6805	-0.6805	9	0	0	125	0	2	3
B-H	0.0	0.0	-0.0008	-0.0008	2	0	0	2	0	1	2
C-D	0.0	0.0	-0.0075	-0.0075	5	0	0	12	0	0	4
C-E	0.0	-2.5454	-6.9133	-9.4587	15	0	0	367	0	7	7
C-J	-13.9276	-0.5478	-51.1614	-65.6368	59	4	3	2665	0	11	4
C-N	-36.0174	-40.6739	-211.794	-288.4853	76	25	2	9510	2	33	35
D-E	-27.9563	-36.3508	-40.6386	-104.9457	42	5	0	2218	3	14	16
E-H	0.0	-15.8584	-94.8007	-110.6591	49	11	2	4545	0	17	13
F-R	-4.4539	2.2782	-160.047	-162.2226	57	21	4	6792	0	14	21
G-I	0.0	5.9535	-37.6941	-31.7406	30	6	0	1765	0	12	11
G-K	0.0	0.0	-16.1483	-16.1483	20	0	2	1055	0	1	2
H-L	0.0	0.0	-11.098	-11.098	13	1	1	541	0	0	0
H-Q	-3.4334	0.0	-14.666	-18.0994	17	7	0	1396	0	4	8
I-J	0.0	0.0	-16.9668	-16.9668	18	5	0	1010	0	8	11
I-N	-6.4872	0.0	-14.0572	-20.5444	6	3	0	397	0	0	2
J-N	-37.0983	-62.4496	-191.384	-290.932	56	34	5	8720	4	18	29
K-R	0.0	-7.3402	-10.7371	-18.0773	17	1	0	846	0	7	10
K-U	-32.1081	41.3737	-209.322	-200.0564	76	28	3	9647	1	32	40
L-Q	0.0	0.0	-47.1295	-47.1295	22	2	4	2033	0	0	8
M-S	0.0	4.9154	-81.5978	-76.6824	48	9	4	4314	1	9	21
N-S	0.0	-2.449	-34.0797	-36.5287	28	5	1	2099	0	4	9
O-Q	0.0	0.0	-0.3075	-0.3075	4	0	0	68	0	1	0
R-U	0.0	-4.0103	-47.9024	-51.9127	23	4	0	2236	3	14	14

Interface residues

• B-E: ARG68E, ASN177B, ASN69E, LEU156B, LEU178B, LYS104B, LYS65E, THR101B, TRP103B
• B-H: ASN20H, PRO28B
• C-D: ARG131C, ARG43D, ARG46D, LYS44D, MET128C
• C-E: ARG130C, ARG163C, ARG168C, ARG53E, GLU165C, GLU54E, ILE29E, LYS134C, PHE30E, PHE32E, PRO56E, THR164C, TRP166C, TYR167C, VAL55E
• C-J: ALA12J, ALA23C, ALA60C, ALA93J, ALA94J, ARG16J, ARG45J, ARG58C, ARG64C, ARG68J, ARG9J, ASN24C, ASN58J, ASP14J, ASP63J, ASP91J, ASP97J, GLN99C, GLN99J, GLU47J, GLU57C, GLU66J, GLY12C, GLY1C, GLY8C, GLY95J, HIS15J, HIS5C, HIS70J, ILE13C, ILE53J, ILE67J, ILE9C, LEU11C, LEU17J, LEU71J, LEU92J, LYS11J, LYS15C, LYS3C, PHE13J, PHE22C, PHE28C, PHE49J, PRO16C, PRO59C, SER19C, SER54J, SER62C, THR20C, THR25C, THR69J, TRP17C, TRP21C, TYR65J, VAL14C, VAL4C, VAL96J, VAL98J
• C-N: ALA23C, ALA29C, ALA86N, ALA87N, ARG10C, ARG39C, ARG53C, ARG58C, ARG64N, ARG74N, ARG84N, ARG89N, ASN184C, ASN18C, ASN24C, ASN31C, ASN7C, ASP30C, ASP33C, ASP35C, GLN2C, GLN40C, GLN65N, GLU27C, GLU57C, GLU85N, GLU91N, GLY12C, GLY1C, GLY77N, GLY8C, GLY90N, GLY94N, HIS5C, ILE13C, ILE54C, ILE56C, ILE92N, ILE9C, LEU11C, LEU177C, LEU32C, LEU73N, LEU78N, LEU95N, LYS113C, LYS15C, LYS26C, LYS37C, LYS3C, LYS75N, LYS82N, LYS96N, LYS97N, MET88N, PHE22C, PHE28C, PHE36C, PHE72N, PHE76N, PRO16C, PRO6C, PRO93N, SER186C, SER19C, SER34C, THR185C, THR20C, THR25C, THR43C, TRP17C, TRP21C, TYR183C, VAL4C, VAL55C, VAL83N
• D-E: ALA106E, ALA112E, ALA79D, ARG111E, ARG46D, ASN84D, ASN88D, ASP49D, GLN53D, GLU100E, GLU115E, GLU196D, GLU201D, GLU87D, GLY101E, GLY103E, GLY107E, GLY108E, GLY83D, GLY86D, HIS120E, HIS197D, ILE104E, ILE105E, LEU123E, LEU14E, LEU198D, LEU202D, LEU47D, LYS13E, LYS205D, LYS82D, SER204D, SER48D, SER99E, THR102E, THR85D, TYR203D, TYR50D, TYR75D, VAL200D, VAL52D
• E-H: ALA129H, ALA153E, ALA154E, ALA69H, ALA96H, ARG156E, ASN145E, ASN147E, ASP47H, GLN17H, GLN66H, GLN81E, GLN96E, GLU144E, GLU150E, GLU41H, GLU42H, GLU46H, GLU72H, GLY157E, GLY43H, GLY97H, GLY99H, HIS82E, ILE100H, ILE45H, LEU39H, LEU98H, LYS155E, LYS158E, LYS40H, LYS63H, LYS68H, LYS93H, MET146E, MET151E, MET95H, PHE44H, PHE65H, PRO149E, PRO83E, PRO97E, SER148E, SER73H, VAL152E, VAL70H, VAL71H, VAL84E, VAL94H
• F-R: ALA26R, ALA48F, ALA57F, ALA57R, ALA61R, ALA99F, ARG38F, ARG45F, ARG56R, ARG60R, ARG62R, ARG86F, ARG91F, ASN63F, ASP21R, ASP24R, GLN46F, GLU40F, GLU5F, GLU98F, HIS55F, HIS73R, ILE20R, ILE25R, ILE51F, ILE6F, ILE85F, LEU47F, LEU54F, LEU61F, LEU64R, LEU66R, LEU67R, LYS23R, LYS59R, LYS93F, MET62F, MET88F, MET90F, MET9F, PHE8F, PRO50F, PRO68R, SER100F, SER65R, SER87F, THR70R, TRP42F, TYR22R, TYR49F, TYR59F, TYR63R, TYR69R, VAL60F, VAL7F, VAL89F, VAL96F
• G-I: ALA38G, ALA43I, ARG108I, ARG40I, ARG44I, ARG48I, ARG79I, ARG9G, ASP14G, GLN49I, GLU39G, GLU41I, ILE71I, LEU12G, LYS10G, LYS16G, LYS34G, LYS35G, MET30G, MET45I, PHE17G, PRO13G, PRO15G, SER36G, SER40G, SER72I, THR37G, THR42I, VAL26G, VAL46I
• G-K: ALA146G, ALA149G, ALA151G, ALA61K, ARG55K, ARG97K, ASN147G, GLN63K, GLU145G, LYS148G, LYS56K, PHE150G, PHE51K, PHE60K, PRO59K, SER54K, THR58K, THR83G, TYR84G, VAL64K
• H-L: ALA1L, ARG79H, ARG83H, ASN4L, GLN5L, GLY81H, ILE84H, LEU6L, LEU82H, PRO80H, THR2L, VAL3L, VAL7L
• H-Q: ARG79H, ARG83H, GLU123H, GLY34Q, GLY81H, HIS30Q, ILE84H, LEU82H, LYS29Q, LYS35Q, LYS86H, PHE27Q, PHE36Q, PRO80H, SER78H, TYR33Q, TYR85H
• I-J: ALA61J, ARG112I, ARG123I, ARG48J, ARG62J, ASP60J, ASP63J, GLN64J, GLY116I, ILE53J, LEU117I, LEU52J, LYS113I, LYS114I, LYS59J, PRO124I, THR50J, VAL115I
• I-N: ALA98N, ARG112I, LYS113I, LYS114I, SER99N, TRP100N
• J-N: ALA86N, ALA87N, ALA98N, ARG16J, ARG45J, ARG48J, ARG62J, ARG68J, ARG68N, ARG74N, ARG80N, ARG84N, ASN58J, ASP14J, ASP63J, GLN64J, GLU47J, GLU66J, GLU85N, GLY71N, GLY94N, HIS15J, HIS56J, HIS70J, ILE53J, ILE67J, ILE81N, ILE92N, LEU52J, LEU73N, LEU78N, LEU95N, LYS46J, LYS59J, LYS75N, LYS82N, LYS96N, LYS97N, MET88N, PHE13J, PHE49J, PHE72N, PHE76N, PRO55J, PRO93N, SER54J, SER79N, SER99N, THR44J, THR50J, THR69J, TRP100N, TYR65J, VAL51J, VAL57J, VAL83N
• K-R: ARG62R, ARG72R, ASP111K, ASP71R, GLY36R, HIS117K, HIS73R, ILE115K, LYS37R, MET84K, PRO114K, THR110K, THR113K, THR70R, TYR63R, TYR69R, VAL112K
• K-U: ALA101K, ALA14U, ALA24K, ALA25U, ALA29U, ARG105K, ARG121K, ARG126K, ARG127K, ARG16U, ARG20U, ARG32U, ARG33U, ARG34U, ARG6U, ARG92K, ARG97K, ASN100K, ASN108K, ASN118K, ASN27K, ASN8U, ASP111K, ASP12U, CYS120K, CYS22U, GLU23U, GLU30U, GLU35U, GLU7U, GLU82K, GLU93K, GLU9U, GLY119K, GLY26U, GLY87K, GLY89K, HIS117K, ILE106K, ILE109K, ILE115K, ILE3U, ILE96K, LEU15U, LEU28U, LYS124K, LYS125K, LYS19U, LYS24U, LYS39U, LYS4U, LYS86K, MET84K, PHE11U, PHE18U, PHE26K, PHE36U, PRO10U, PRO114K, PRO116K, PRO122K, PRO123K, PRO88K, SER25K, THR107K, THR110K, THR113K, TYR37U, VAL112K, VAL128K, VAL13U, VAL27U, VAL31U, VAL5U, VAL83K, VAL85K
• L-Q: ALA12L, ARG11L, ARG39Q, ARG8L, ASN4L, GLN5L, GLY34Q, HIS30Q, ILE32Q, ILE37Q, LEU6L, LYS29Q, LYS35Q, LYS38Q, LYS9L, PHE36Q, PRO10L, PRO31Q, THR2L, TYR33Q, VAL3L, VAL7L
• M-S: ALA74S, ARG100M, ARG2S, ARG35S, ARG54S, ARG77S, ARG78M, ARG80S, ARG86M, ARG89M, ARG92M, ARG97M, ASP63S, ASP81M, CYS84M, GLN99M, GLU64S, GLU72S, GLY71S, GLY83M, GLY87M, GLY93M, HIS68S, ILE39S, LEU79M, LEU82M, LEU88M, LEU94M, LYS109M, MET65S, MET74M, MET80M, PHE60S, PHE73S, PRO58S, PRO75S, SER75M, THR101M, THR62S, THR76S, THR78S, TYR79S, TYR85M, VAL57S, VAL59S, VAL61S, VAL66S, VAL96M
• N-S: ALA43N, ARG36S, ARG52N, ARG58N, ASN42N, ASN42S, ASP11S, GLN48N, GLY7S, HIS13S, ILE10S, ILE30N, LEU12S, LEU14S, LEU15S, LEU45N, LEU47N, LEU50N, LYS16S, LYS46N, LYS5S, LYS6S, PHE9S, PRO8S, SER31N, THR49N, TRP41N, VAL44N
• O-Q: ALA81Q, LYS70O, VAL74O, VAL82Q
• R-U: ALA51U, ARG42R, ARG72R, ASP71R, CYS22U, GLU23U, GLU34R, GLY26U, GLY36R, HIS73R, ILE3U, LYS19U, LYS24U, LYS37R, LYS4U, PHE18U, PRO68R, SER21U, SER35R, THR33R, THR70R, VAL27U, VAL39R