3KLG

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

• Total interactions analyzed: 28
• Total true interactions: 5
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 261
  • Norm. En. per Res.: -2.7857
• Hub Node: A(3)

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	-43.2442	-25.4303	-616.192	-684.8665	264	60	5	30613	1	56	47
A-E	-22.9957	-1.3923	-91.6725	-116.0605	49	14	0	4822	0	10	16
A-F	0.0	0.0	-0.0025	-0.0025	2	0	0	3	0	0	0
B-E	0.0	0.0	-0.0007	-0.0007	2	0	0	2	0	0	0
E-F	-62.2633	-27.8625	-636.932	-727.0578	261	49	4	29848	1	57	47

Interface residues

• A-B: ALA129B, ALA158A, ALA288B, ALA371A, ALA408A, ALA437A, ALA508A, ALA534A, ALA538A, ALA98A, ARG143B, ARG277B, ARG284B, ARG356A, ARG356B, 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, GLU42B, GLU430A, GLU432A, GLU438A, GLU53B, GLU546A, GLU89A, GLY141B, GLY155A, GLY262B, GLY285B, GLY333B, GLY335B, GLY384A, GLY436A, GLY462A, GLY504A, GLY51B, GLY541A, GLY543A, GLY544A, GLY93A, GLY99A, HIS361B, HIS539A, HIS96A, ILE132B, ILE135B, ILE142B, ILE159A, ILE178A, ILE180A, ILE257B, ILE274B, ILE31B, ILE329B, ILE375A, ILE380A, ILE382A, ILE393B, ILE411A, ILE434A, ILE495A, ILE505A, ILE506A, ILE50B, ILE542A, ILE94A, LEU100A, LEU168A, LEU187A, LEU260B, LEU264B, LEU26B, LEU279B, LEU282B, LEU283B, LEU289B, LEU368B, LEU391B, LEU422B, LEU425B, LEU503A, LEU533A, LEU551A, LEU92A, LYS101A, LYS11A, LYS126B, LYS154A, LYS166A, LYS172A, LYS173A, LYS20B, LYS22B, LYS249B, LYS259B, LYS263B, LYS281B, LYS287B, LYS30B, LYS32B, LYS331B, LYS366A, LYS366B, LYS374A, LYS385A, LYS395B, LYS424B, LYS431A, LYS461A, LYS49B, LYS540A, MET164A, MET184A, MET230A, PHE160A, PHE389A, PHE416B, PHE440A, PHE87A, PRO133B, PRO140B, PRO157A, PRO170A, PRO19B, PRO25B, PRO321A, PRO387A, PRO392B, PRO412A, PRO420B, PRO421B, PRO433A, PRO52B, PRO537A, PRO55B, PRO59B, PRO95A, PRO97A, PRO9A, SER134B, SER156A, SER162A, SER163A, SER268B, SER280B, SER379A, SER48B, SER499A, THR131B, THR139B, THR165A, THR253B, THR27B, THR286B, THR290B, THR362B, THR369A, THR376A, THR377A, THR386A, THR397B, THR39B, THR400B, THR403A, THR403B, THR409A, THR419B, THR439A, THR459A, THR58B, TRP153A, TRP229A, TRP24B, TRP266B, TRP337B, TRP383A, TRP398A, TRP398B, TRP401A, TRP401B, TRP402A, TRP406A, TRP410A, TRP426B, TRP535A, TRP88A, TYR144B, TYR181A, TYR183A, TYR188A, TYR319A, TYR354A, 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
• A-E: ALA455A, ALA455E, ARG463A, ARG463E, ASN460A, ASN460E, ASP488A, ASP488E, GLN464A, GLN464E, GLN547E, GLU438A, GLU438E, GLY456A, GLY456E, GLY462A, GLY462E, LEU452A, LEU452E, LEU469A, LEU469E, LEU484A, LEU484E, LEU551A, LEU551E, LYS454A, LYS454E, LYS461A, LYS461E, LYS465A, LYS465E, LYS550E, PHE440E, PRO468A, PRO468E, SER553A, THR459A, THR459E, THR470A, THR470E, TYR457A, TYR457E, VAL458A, VAL458E, VAL466A, VAL466E, VAL467A, VAL467E, VAL552A
• A-F: LYS454A, THR286F
• B-E: LYS454E, THR286B
• E-F: ALA129F, ALA158E, ALA288F, ALA371E, ALA408E, ALA437E, ALA508E, ALA534E, ALA538E, ALA98E, ARG143F, ARG277F, ARG284F, ARG356E, ARG356F, ARG358E, ARG463E, ASN136F, ASN137F, ASN255F, ASN265F, ASN363F, ASN418F, ASN460E, ASN494E, ASN545E, ASN54F, ASN57F, ASP121E, ASP17F, ASP256F, ASP364F, ASP86E, GLN161E, GLN182E, GLN23F, GLN258F, GLN269F, GLN330F, GLN332F, GLN334F, GLN367F, GLN373E, GLN394F, GLN407E, GLN464E, GLN500E, GLN507E, GLN547E, GLN85E, GLN91E, GLU138F, GLU169E, GLU28F, GLU291F, GLU29F, GLU370E, GLU378E, GLU396F, GLU399E, GLU399F, GLU404E, GLU404F, GLU413E, GLU42F, GLU430E, GLU432E, GLU438E, GLU53F, GLU546E, GLU89E, GLY141F, GLY155E, GLY262F, GLY285F, GLY333F, GLY335F, GLY384E, GLY436E, GLY462E, GLY504E, GLY51F, GLY541E, GLY543E, GLY544E, GLY93E, GLY99E, HIS361F, HIS539E, HIS96E, ILE132F, ILE135F, ILE142F, ILE159E, ILE178E, ILE180E, ILE257F, ILE274F, ILE31F, ILE329F, ILE375E, ILE380E, ILE382E, ILE393F, ILE411E, ILE434E, ILE495E, ILE505E, ILE50F, ILE542E, ILE94E, LEU100E, LEU168E, LEU187E, LEU264F, LEU26F, LEU279F, LEU282F, LEU283F, LEU289F, LEU368F, LEU391F, LEU422F, LEU425F, LEU503E, LEU533E, LEU551E, LEU92E, LYS101E, LYS11E, LYS126F, LYS154E, LYS166E, LYS172E, LYS173E, LYS20F, LYS22F, LYS249F, LYS259F, LYS263F, LYS281F, LYS287F, LYS30F, LYS32F, LYS331F, LYS366E, LYS366F, LYS374E, LYS385E, LYS395F, LYS424F, LYS431E, LYS461E, LYS49F, LYS540E, MET164E, MET184E, MET230E, PHE130F, PHE160E, PHE389E, PHE416F, PHE440E, PHE87E, PRO133F, PRO140F, PRO157E, PRO19F, PRO25F, PRO321E, PRO387E, PRO392F, PRO412E, PRO420F, PRO421F, PRO433E, PRO52F, PRO537E, PRO55F, PRO59F, PRO95E, PRO97E, PRO9E, SER134F, SER156E, SER162E, SER163E, SER268F, SER280F, SER379E, SER499E, THR131F, THR139F, THR165E, THR253F, THR27F, THR286F, THR290F, THR362F, THR369E, THR376E, THR377E, THR386E, THR397F, THR39F, THR400F, THR403E, THR403F, THR409E, THR419F, THR439E, THR459E, THR58F, TRP153E, TRP229E, TRP24F, TRP266F, TRP337F, TRP383E, TRP398E, TRP398F, TRP401E, TRP401F, TRP402E, TRP406E, TRP410E, TRP426F, TRP535E, TRP88E, TYR144F, TYR181E, TYR183E, TYR188E, TYR319E, TYR354E, TYR405E, TYR405F, TYR441E, TYR457E, TYR501E, TYR532E, TYR56F, VAL10E, VAL179E, VAL21F, VAL254F, VAL261F, VAL276F, VAL365F, VAL372E, VAL381E, VAL417F, VAL423F, VAL435E, VAL458E, VAL493E, VAL496E, VAL536E, VAL548E, VAL8E, VAL90E