3PLA

crystal structure of a catalytically active substrate-bound box c/d rnp from sulfolobus solfataricus

• Total interactions analyzed: 105
• Total true interactions: 15
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 166
  • Norm. En. per Res.: -3.3952
• Hub Node: A(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
A-B	-32.4042	-70.4219	-460.776	-563.602	166	18	18	19161	6	56	54
A-C	-8.7577	7.8636	-193.257	-194.1511	89	6	2	8008	1	31	26
A-E	-27.8834	-2.6278	-394.255	-424.7662	141	22	7	16620	1	46	47
A-F	-3.2664	-39.6834	-35.9512	-78.901	33	0	0	1878	1	12	12
A-K	-18.5419	17.0724	-20.9682	-22.4378	25	1	0	1177	0	20	15
B-D	-15.6187	-46.8114	-199.379	-261.8091	89	10	2	8332	3	31	26
B-E	-18.0739	-46.5495	-34.2102	-98.8336	33	2	0	1887	2	12	12
B-F	-32.0116	-2.2178	-381.212	-415.4414	142	22	8	16368	1	45	47
B-K	0.0	-8.0317	-3.6583	-11.6901	11	0	0	192	0	8	11
C-E	-4.8482	-9.0399	-45.6046	-59.4927	30	0	0	1970	0	16	15
D-F	-5.1045	-10.1376	-47.7947	-63.0367	32	2	0	2110	1	16	15
F-K	0.0	19.0377	-50.7484	-31.7107	44	4	0	2551	0	19	15
K-L	-4.5606	8.1288	-181.716	-178.1478	88	5	2	7810	1	30	28
K-M	-32.2658	-1.3776	-361.652	-395.2954	142	17	8	15793	1	43	45
L-M	-4.9424	-8.4827	-46.3435	-59.7686	30	0	0	1948	1	16	15

Interface residues

• A-B: ALA132A, ALA132B, ALA133A, ALA133B, ALA140A, ALA140B, ALA143A, ALA143B, ALA146A, ALA146B, ALA223A, ALA223B, ALA232A, ALA232B, ALA237A, ALA237B, ARG126A, ARG126B, ARG127A, ARG127B, ARG130A, ARG130B, ARG136A, ARG136B, ARG145A, ARG145B, ARG160A, ARG160B, ARG162A, ARG162B, ARG192A, ARG192B, ARG234A, ARG234B, ARG247A, ARG247B, ARG248A, ARG248B, ASN238A, ASN238B, ASN245A, ASN245B, ASN249A, ASN249B, ASP137A, ASP137B, ASP148A, ASP148B, ASP149A, ASP149B, ASP151A, ASP151B, ASP224A, ASP224B, ASP228A, ASP228B, ASP229A, ASP229B, ASP242A, ASP242B, GLN134A, GLN134B, GLN142A, GLN142B, GLU123A, GLU123B, GLU159A, GLU159B, GLU163A, GLU163B, GLU171A, GLU171B, GLU227A, GLU227B, GLY222A, GLY222B, GLY256A, GLY256B, HIS168A, HIS168B, ILE141A, ILE141B, ILE150A, ILE150B, ILE154A, ILE154B, ILE167A, ILE167B, ILE221A, ILE221B, ILE225A, ILE225B, ILE236A, ILE236B, ILE240A, ILE240B, ILE246A, ILE246B, LEU122A, LEU122B, LEU129A, LEU129B, LEU138A, LEU138B, LEU139A, LEU139B, LEU156A, LEU156B, LEU161A, LEU161B, LEU230A, LEU230B, LEU243A, LEU243B, LEU250A, LEU250B, LEU254A, LEU254B, LYS128A, LYS128B, LYS135A, LYS135B, LYS152A, LYS152B, LYS219A, LYS219B, MET147A, MET147B, MET233A, MET233B, MET235A, MET235B, PHE157A, PHE157B, PHE169A, PHE169B, PRO170A, PRO170B, SER131A, SER131B, SER166A, SER166B, SER220A, SER220B, SER226A, SER226B, SER231A, SER231B, SER279A, SER279B, THR125A, THR125B, THR153A, THR153B, THR239A, THR239B, TRP164A, TRP164B, TYR165A, TYR165B, TYR253A, TYR253B, VAL144A, VAL144B, VAL257A, VAL257B
• A-C: ALA100C, ALA288A, ALA292A, ALA342A, ALA343A, ALA346A, ALA348A, ALA349A, ALA353A, ALA45C, ALA67C, ARG339A, ARG350A, ARG357A, ARG48C, ARG80A, ASN122C, ASN264A, ASN40C, ASP285A, ASP352A, ASP74C, GLN362A, GLN366A, GLN61C, GLN75A, GLU123C, GLU286A, GLU41C, GLU47C, GLU62A, GLU63C, GLU64C, GLU68A, GLU75C, GLU84A, GLY126C, GLY356A, HIS68C, ILE124C, ILE295A, ILE347A, ILE359A, ILE65C, LEU308A, LEU363A, LEU69C, LEU71C, LEU72C, LYS11C, LYS125C, LYS127C, LYS289A, LYS344A, LYS3A, LYS44C, LYS77C, MET290A, PHE12C, PHE354A, PRO291A, PRO62C, PRO70C, PRO72A, PRO85A, SER101C, SER293A, SER355A, SER82A, SER87A, SER8C, THR128C, THR294A, THR39C, THR42C, THR43C, TYR5A, TYR80C, TYR83A, TYR86A, TYR9C, VAL121C, VAL351A, VAL60C, VAL64A, VAL65A, VAL66C, VAL71A, VAL81A
• A-E: ALA104E, ALA121E, ALA132A, ALA132E, ALA133A, ALA167E, ALA69A, ARG112E, ARG115E, ARG123E, ARG124E, ARG126A, ARG127A, ARG130A, ARG135E, ARG145A, ARG184E, ARG309A, ARG91A, ARG94A, ASN101E, ASN115A, ASN126E, ASN146E, ASN166E, ASN174E, ASN28A, ASN42A, ASN67A, ASP133E, ASP187E, ASP191E, ASP222E, GLN122E, GLN138E, GLN142A, GLU108E, GLU110A, GLU111A, GLU116E, GLU119A, GLU123A, GLU145E, GLU286A, GLU43A, GLU66A, GLU68A, GLU70A, GLU84A, GLU8A, GLU95A, GLY102E, GLY106E, GLY12A, GLY175E, GLY311A, HIS118A, HIS9A, ILE11A, ILE127E, ILE164E, ILE35A, ILE7A, ILE92A, LEU100E, LEU117A, LEU117E, LEU118E, LEU119E, LEU120A, LEU122A, LEU129A, LEU130E, LEU131E, LEU138A, LEU171E, LEU308A, LEU39A, LEU6A, LEU97A, LYS103E, LYS128A, LYS135A, LYS141E, LYS168E, LYS172E, LYS190E, LYS231E, LYS289A, LYS79E, LYS88A, LYS99A, PHE109E, PHE116A, PHE128E, PHE136E, PHE169E, PHE170E, PHE305A, PHE48A, PHE93A, PRO111E, PRO125E, PRO129E, PRO137E, PRO192E, PRO85A, PRO98A, SER110E, SER121A, SER131A, SER139E, SER142E, SER310A, SER87A, SER90A, SER96A, THR125A, THR189E, THR36A, TYR105E, TYR113A, TYR114A, TYR124A, TYR140E, TYR165E, TYR230E, TYR83A, TYR86A, VAL107E, VAL10A, VAL113E, VAL114E, VAL120E, VAL143E, VAL144E, VAL147E, VAL173E, VAL188E, VAL65A, VAL89A
• A-F: ARG112F, ARG115F, ARG162A, ARG212A, ASP173A, ASP22F, GLN122F, GLU116F, GLU159A, GLU163A, GLU171A, GLY222A, HIS168A, ILE167A, ILE221A, LEU117F, LEU118F, LEU119F, LEU131F, LEU172A, LEU175A, LYS174A, LYS219A, PHE169A, PHE36F, PRO111F, PRO170A, SER166A, TRP164A, TRP332A, TYR165A, TYR182A, VAL114F
• A-K: ALA216A, ALA216K, ARG212A, ARG212K, ASN206A, ASN211A, ASN211K, ASP215A, ASP215K, GLN208A, GLN208K, GLU207A, GLU207K, ILE197A, ILE197K, ILE210A, ILE210K, LEU175A, LEU175K, LEU214A, LEU214K, LYS201K, LYS218A, LYS219A, LYS219K
• B-D: ALA100D, ALA288B, ALA292B, ALA342B, ALA343B, ALA346B, ALA348B, ALA349B, ALA353B, ALA45D, ALA67D, ARG339B, ARG350B, ARG357B, ARG48D, ARG80B, ASN122D, ASN264B, ASN40D, ASP285B, ASP352B, ASP74D, CYS73D, GLN362B, GLN366B, GLN61D, GLN75B, GLU123D, GLU286B, GLU41D, GLU47D, GLU63D, GLU64D, GLU68B, GLU75D, GLU84B, GLY126D, GLY356B, HIS68D, ILE124D, ILE295B, ILE347B, ILE359B, ILE65D, LEU308B, LEU363B, LEU69D, LEU71D, LEU72D, LYS11D, LYS125D, LYS127D, LYS289B, LYS344B, LYS3B, LYS44D, LYS77D, MET290B, PHE12D, PHE354B, PRO291B, PRO62D, PRO70D, PRO72B, PRO85B, SER101D, SER293B, SER355B, SER82B, SER87B, SER8D, THR128D, THR294B, THR39D, THR42D, THR43D, TYR5B, TYR80D, TYR83B, TYR86B, TYR9D, VAL121D, VAL351B, VAL60D, VAL64B, VAL65B, VAL66D, VAL71B, VAL81B
• B-E: ARG112E, ARG115E, ARG162B, ARG212B, ASP173B, ASP22E, GLN122E, GLU116E, GLU159B, GLU163B, GLU171B, GLY222B, HIS168B, ILE167B, ILE221B, LEU117E, LEU118E, LEU119E, LEU131E, LEU172B, LEU175B, LYS174B, LYS219B, PHE169B, PHE36E, PRO111E, PRO170B, SER166B, TRP164B, TRP332B, TYR165B, TYR182B, VAL114E
• B-F: ALA104F, ALA121F, ALA132B, ALA132F, ALA133B, ALA167F, ALA69B, ARG112F, ARG115F, ARG123F, ARG124F, ARG126B, ARG127B, ARG130B, ARG135F, ARG145B, ARG184F, ARG309B, ARG91B, ARG94B, ASN101F, ASN115B, ASN126F, ASN146F, ASN166F, ASN174F, ASN28B, ASN42B, ASN67B, ASP133F, ASP187F, ASP191F, ASP222F, GLN122F, GLN138F, GLN142B, GLU108F, GLU110B, GLU111B, GLU116F, GLU119B, GLU123B, GLU145F, GLU286B, GLU43B, GLU66B, GLU68B, GLU70B, GLU84B, GLU8B, GLU95B, GLY102F, GLY106F, GLY12B, GLY175F, GLY311B, HIS118B, HIS9B, ILE11B, ILE127F, ILE164F, ILE35B, ILE7B, ILE92B, LEU100F, LEU117B, LEU117F, LEU118F, LEU119F, LEU120B, LEU122B, LEU129B, LEU130F, LEU131F, LEU138B, LEU171F, LEU304B, LEU308B, LEU39B, LEU6B, LEU97B, LYS103F, LYS128B, LYS135B, LYS141F, LYS168F, LYS172F, LYS190F, LYS231F, LYS289B, LYS79F, LYS88B, LYS99B, PHE109F, PHE116B, PHE128F, PHE136F, PHE169F, PHE170F, PHE305B, PHE48B, PHE93B, PRO111F, PRO125F, PRO129F, PRO137F, PRO192F, PRO85B, PRO98B, SER110F, SER121B, SER131B, SER139F, SER142F, SER310B, SER87B, SER90B, SER96B, THR125B, THR189F, THR36B, TYR105F, TYR113B, TYR114B, TYR124B, TYR140F, TYR165F, TYR230F, TYR83B, TYR86B, VAL107F, VAL10B, VAL113F, VAL114F, VAL120F, VAL143F, VAL144F, VAL147F, VAL173F, VAL188F, VAL65B, VAL89B
• B-K: ARG126B, ARG30B, ASN115B, GLU119B, GLU123B, GLU202K, GLU207K, GLY204K, LEU122B, LEU32B, LYS201K
• C-E: ALA134E, ARG135E, ARG48C, ASN166E, ASP133E, ASP158E, ASP161E, ASP74C, CYS73C, GLN138E, GLN156E, GLN159E, GLN50C, GLU47C, GLU75C, GLY49C, ILE162E, LEU71C, LEU72C, LYS127C, LYS190E, LYS76C, LYS77C, PHE109E, PHE136E, PHE169E, PRO137E, PRO157E, PRO70C, TYR165E
• D-F: ALA134F, ARG135F, ARG48D, ASN166F, ASP133F, ASP158F, ASP161F, ASP187F, ASP74D, CYS73D, GLN138F, GLN156F, GLN159F, GLN50D, GLU47D, GLU75D, GLY49D, ILE162F, LEU71D, LEU72D, LYS127D, LYS190F, LYS76D, LYS77D, PHE109F, PHE136F, PHE169F, PRO137F, PRO157F, PRO70D, TYR165F, VAL46D
• F-K: ALA325K, ARG123F, ARG209K, ARG212K, ASN206K, ASN35F, ASP372K, GLN122F, GLN208K, GLN333K, GLU19F, GLU207K, GLU373K, GLU376K, GLU47F, GLY204K, GLY23F, GLY48F, HIS327K, ILE326K, ILE337K, ILE371K, ILE5F, LEU119F, LYS201K, LYS368K, LYS369K, LYS375K, LYS377K, LYS45F, LYS8F, PHE205K, PHE25F, PHE36F, PRO324K, PRO330K, SER329K, THR328K, THR6F, TYR323K, TYR46F, VAL33F, VAL49F, VAL7F
• K-L: ALA100L, ALA288K, ALA292K, ALA342K, ALA343K, ALA346K, ALA348K, ALA349K, ALA353K, ALA45L, ALA67L, ARG350K, ARG357K, ARG48L, ARG80K, ASN122L, ASN264K, ASN40L, ASP285K, ASP352K, ASP74L, GLN362K, GLN366K, GLN61L, GLN75K, GLU123L, GLU286K, GLU41L, GLU47L, GLU62K, GLU63L, GLU64L, GLU68K, GLU75L, GLU84K, GLY126L, GLY356K, HIS68L, ILE124L, ILE295K, ILE347K, ILE359K, ILE65L, LEU308K, LEU363K, LEU69L, LEU71L, LEU72L, LYS11L, LYS125L, LYS127L, LYS289K, LYS344K, LYS3K, LYS44L, LYS77L, MET290K, PHE12L, PHE354K, PRO291K, PRO62L, PRO70L, PRO72K, PRO85K, SER101L, SER293K, SER355K, SER82K, SER87K, SER8L, THR128L, THR294K, THR39L, THR42L, THR43L, TYR5K, TYR80L, TYR83K, TYR86K, TYR9L, VAL121L, VAL351K, VAL60L, VAL64K, VAL65K, VAL66L, VAL71K, VAL81K
• K-M: ALA104M, ALA121M, ALA132K, ALA132M, ALA133K, ALA167M, ALA69K, ARG112M, ARG115M, ARG123M, ARG124M, ARG126K, ARG127K, ARG130K, ARG135M, ARG145K, ARG184M, ARG309K, ARG91K, ARG94K, ASN101M, ASN115K, ASN126M, ASN146M, ASN166M, ASN174M, ASN28K, ASN42K, ASN67K, ASP133M, ASP187M, ASP191M, ASP222M, GLN122M, GLN138M, GLN142K, GLU108M, GLU110K, GLU111K, GLU116M, GLU119K, GLU123K, GLU145M, GLU286K, GLU38K, GLU43K, GLU66K, GLU68K, GLU70K, GLU84K, GLU8K, GLU95K, GLY102M, GLY106M, GLY12K, GLY175M, GLY311K, HIS118K, HIS9K, ILE11K, ILE127M, ILE164M, ILE35K, ILE7K, ILE92K, LEU100M, LEU117K, LEU117M, LEU118M, LEU119M, LEU120K, LEU122K, LEU129K, LEU130M, LEU131M, LEU138K, LEU171M, LEU308K, LEU39K, LEU6K, LEU97K, LYS103M, LYS128K, LYS135K, LYS141M, LYS168M, LYS172M, LYS190M, LYS231M, LYS289K, LYS79M, LYS88K, LYS99K, PHE109M, PHE116K, PHE128M, PHE136M, PHE169M, PHE170M, PHE305K, PHE48K, PHE93K, PRO111M, PRO125M, PRO129M, PRO137M, PRO192M, PRO85K, PRO98K, SER110M, SER121K, SER131K, SER139M, SER142M, SER310K, SER87K, SER90K, SER96K, THR125K, THR189M, THR36K, TYR105M, TYR113K, TYR114K, TYR124K, TYR140M, TYR165M, TYR230M, TYR83K, TYR86K, VAL107M, VAL10K, VAL113M, VAL114M, VAL120M, VAL143M, VAL144M, VAL147M, VAL173M, VAL188M, VAL65K, VAL89K
• L-M: ALA134M, ARG135M, ARG48L, ASN166M, ASP133M, ASP158M, ASP161M, ASP74L, CYS73L, GLN138M, GLN156M, GLN159M, GLN50L, GLU47L, GLU75L, GLY49L, ILE162M, LEU71L, LEU72L, LYS127L, LYS190M, LYS76L, LYS77L, PHE109M, PHE136M, PHE169M, PRO137M, PRO157M, PRO70L, TYR165M