3KLH

crystal structure of azt-resistant hiv-1 reverse transcriptase crosslinked to post-translocation aztmp-terminated dna (complex p)

• Total interactions analyzed: 15
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 48
  • Norm. En. per Res.: -4.0429
• Hub Node: B(2)

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	-93.1618	-37.2187	-713.359	-843.7395	256	54	6	30669	0	57	51
B-C	-8.1144	-2.8867	-50.9776	-61.9787	22	4	0	1981	0	3	3
B-D	-8.6314	-38.1895	-147.24	-194.0609	48	13	3	5606	2	17	13
C-D	-36.9037	-18.1729	-503.089	-558.1656	193	29	10	19811	2	13	11

Interface residues

• A-B: ALA129B, ALA158A, ALA288B, ALA360B, ALA408A, ALA437A, ALA502A, ALA508A, ALA534A, ALA538A, ALA98A, ARG143B, ARG277B, ARG284B, ARG356A, ARG358A, ARG463A, ASN136B, ASN137B, ASN255B, ASN265B, ASN363B, ASN418B, ASN460A, ASN494A, ASN545A, ASN54B, ASN57B, ASP121A, ASP17B, ASP256B, ASP364B, ASP86A, GLN161A, GLN182A, GLN23B, GLN258B, GLN269B, GLN330B, GLN332B, GLN334B, GLN367B, GLN373A, GLN394B, GLN407A, GLN464A, GLN500A, GLN507A, GLN547A, GLN85A, GLN91A, GLU138B, GLU169A, GLU28B, GLU291B, GLU29B, GLU370A, GLU378A, GLU396B, GLU399A, GLU399B, GLU404A, GLU404B, GLU413A, GLU432A, GLU438A, GLU53B, GLU546A, GLU89A, GLY141B, GLY155A, GLY262B, GLY285B, GLY333B, GLY335B, GLY359A, GLY384A, GLY436A, GLY462A, GLY504A, GLY51B, GLY541A, GLY543A, GLY544A, GLY93A, GLY99A, HIS361A, HIS361B, HIS539A, HIS96A, ILE132B, ILE135B, ILE142B, ILE159A, ILE178A, ILE180A, ILE257B, ILE31B, ILE329B, ILE375A, ILE380A, ILE382A, ILE393B, ILE411A, ILE434A, ILE495A, ILE505A, ILE506A, ILE50B, ILE542A, ILE94A, LEU100A, LEU168A, LEU187A, LEU264B, LEU26B, LEU279B, LEU282B, LEU283B, LEU289B, LEU368B, LEU391B, LEU422B, LEU503A, LEU533A, LEU92A, LYS101A, LYS11A, LYS126B, LYS13A, LYS166A, LYS172A, LYS173A, LYS20B, LYS22B, LYS259B, LYS263B, LYS281B, LYS287B, LYS30B, LYS331B, LYS366A, LYS366B, LYS374A, LYS385A, LYS395B, LYS424B, LYS431A, LYS43B, LYS461A, LYS49B, LYS540A, MET164A, MET184A, MET230A, PHE130B, PHE160A, PHE389A, PHE416B, PHE440A, PHE87A, PRO133B, PRO140B, PRO14A, PRO157A, PRO19B, PRO25B, PRO321A, PRO387A, PRO392B, PRO412A, PRO420B, PRO421B, PRO433A, PRO52B, PRO537A, PRO55B, PRO59B, PRO95A, PRO97A, PRO9A, SER134B, SER162A, SER163A, SER268B, SER280B, SER379A, SER48B, THR131B, THR139B, THR165A, THR253B, THR27B, THR286B, THR290B, THR362B, THR369A, THR369B, THR376A, THR377A, THR386A, THR397B, THR39B, THR400B, THR403A, THR403B, THR409A, THR419B, THR439A, THR459A, THR58B, TRP229A, TRP24B, TRP266B, TRP337B, TRP383A, TRP398A, TRP398B, TRP401A, TRP401B, TRP402A, TRP406A, TRP410A, TRP535A, TRP88A, TYR144B, TYR181A, TYR183A, TYR188A, TYR319A, TYR405A, TYR405B, TYR441A, TYR457A, TYR501A, TYR532A, TYR56B, VAL10A, VAL179A, VAL21B, VAL254B, VAL261B, VAL276B, VAL365B, VAL372A, VAL381A, VAL417B, VAL423B, VAL435A, VAL458A, VAL493A, VAL496A, VAL536A, VAL548A, VAL8A, VAL90A
• B-C: ARG358B, ASP28C, GLN222B, GLN90C, GLU224B, ILE29C, ILE2C, LEU228B, LYS223B, LYS93C, PHE227B, PHE94C, PRO225B, PRO226B, PRO95C, SER30C, SER31C, SER92C, TRP96C, TYR32C, TYR50C, TYR91C
• B-D: ALA101D, ALA109D, ARG199B, ARG358B, ARG60D, ASN59D, ASP107D, ASP56D, ASP57D, ASP58D, GLN197B, GLN222B, GLU194B, GLU203B, GLU224B, GLU233B, GLY196B, GLY231B, GLY33D, GLY35D, HIS198B, HIS221B, ILE102D, ILE195B, ILE34D, ILE53D, LEU228B, LYS220B, LYS223B, MET230B, MET357B, PHE227B, PRO225B, PRO226B, SER104D, SER108D, SER30D, SER32D, THR103D, THR106D, THR200B, THR31D, THR52D, TRP229B, TRP54D, TRP55D, TYR232B, VAL105D
• C-D: ALA101D, ALA109D, ALA130C, ALA135D, ALA139D, ALA178D, ALA223D, ALA51D, ALA98D, ARG211C, ARG40D, ARG60D, ASN137C, ASN138C, ASN161C, ASN190C, ASN210C, ASN34C, ASN59D, ASN62D, ASP107D, ASP111D, ASP165C, ASP167C, ASP170C, ASP1C, ASP224D, ASP58D, CYS134C, CYS150D, CYS225D, CYS88C, GLN115D, GLN124C, GLN181D, GLN37C, GLN38C, GLN41D, GLN89C, GLN90C, GLN99D, GLU123C, GLU41C, GLU48D, GLY100C, GLY101C, GLY114D, GLY116D, GLY128C, GLY129C, GLY137D, GLY149D, GLY158C, GLY172D, GLY35D, GLY42C, GLY44D, GLY46D, GLY99C, HIS112D, HIS174D, HIS55C, ILE102D, ILE117C, ILE220D, ILE2D, ILE39D, ILE48C, ILE53D, ILE94D, LEU125C, LEU134D, LEU136C, LEU148D, LEU151D, LEU160C, LEU180D, LEU181C, LEU187D, LEU33C, LEU46C, LEU47C, LEU47D, LEU50D, LEU65D, LYS103C, LYS153D, LYS169C, LYS207C, LYS218D, LYS219D, LYS39C, LYS45C, LYS45D, LYS93C, MET110D, MET145D, MET175C, PHE118C, PHE135C, PHE139C, PHE176D, PHE209C, PHE94C, PHE98C, PRO119C, PRO120C, PRO133D, PRO136D, PRO177D, PRO63D, PRO95C, SER100D, SER104D, SER108D, SER116C, SER121C, SER122C, SER127C, SER130D, SER131C, SER138D, SER162C, SER170D, SER171D, SER174C, SER176C, SER177C, SER182D, SER188D, SER189D, SER190D, SER208C, SER30C, SER31C, SER53C, SER56C, SER64D, SER92C, THR103D, THR106D, THR114C, THR126C, THR142D, THR147D, THR164C, THR172C, THR175D, THR178C, THR180C, THR186D, THR192D, THR37D, THR43C, THR51C, THR52D, THR85C, THR97C, TRP113D, TRP163C, TRP164D, TRP198D, TRP35C, TRP38D, TRP49D, TRP54D, TRP96C, TYR132D, TYR173C, TYR186C, TYR32C, TYR36C, TYR49C, TYR50C, TYR61D, TYR86C, TYR87C, TYR91C, TYR96D, VAL105D, VAL115C, VAL131D, VAL132C, VAL133C, VAL146D, VAL152D, VAL159C, VAL173D, VAL179D, VAL191D, VAL221D, VAL36D, VAL44C