3ISN

crystal structure of hiv-1 rt bound to a 6-vinylpyrimidine inhibitor

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 257
  • Norm. En. per Res.: -3.1102
• Hub Node: C(1)

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
C-D	-127.0981	-9.6393	-662.59	-799.3274	257	51	6	28926	0	54	51

Interface residues

• C-D: ALA129D, ALA158C, ALA288D, ALA408C, ALA437C, ALA534C, ALA538C, ALA98C, ARG143D, ARG277D, ARG284D, ARG356C, ARG358C, ARG358D, ARG463C, ASN136D, ASN137D, ASN255D, ASN265D, ASN363D, ASN418D, ASN460C, ASN494C, ASN545C, ASN54D, ASN57D, ASP121C, ASP17D, ASP256D, ASP364D, ASP86C, CYS280D, GLN161C, GLN182C, GLN23D, GLN258D, GLN269C, GLN330D, GLN332D, GLN334D, GLN336D, GLN367D, GLN373C, GLN394D, GLN407C, GLN464C, GLN500C, GLN507C, GLN547C, GLN85C, GLN91C, GLU138D, GLU169C, GLU28D, GLU291D, GLU29D, GLU370C, GLU378C, GLU396D, GLU399C, GLU399D, GLU404C, GLU404D, GLU413C, GLU432C, GLU438C, GLU53D, GLU546C, GLU89C, GLY141D, GLY155C, GLY262D, GLY285D, GLY333D, GLY335D, GLY359C, GLY384C, GLY436C, GLY462C, GLY504C, GLY51D, GLY541C, GLY543C, GLY544C, GLY93C, GLY99C, HIS361D, HIS539C, HIS96C, ILE132D, ILE135D, ILE142D, ILE159C, ILE180C, ILE257D, ILE31D, ILE329D, ILE375C, ILE380C, ILE382C, ILE393D, ILE411C, ILE434C, ILE495C, ILE50D, ILE542C, ILE94C, LEU100C, LEU168C, LEU260D, LEU264D, LEU26D, LEU279D, LEU282D, LEU283D, LEU289D, LEU368D, LEU391D, LEU422D, LEU425D, LEU503C, LEU533C, LEU92C, LYS101C, LYS11C, LYS126D, LYS13C, LYS154C, LYS166C, LYS172C, LYS173C, LYS20D, LYS22D, LYS249D, LYS259D, LYS263D, LYS275D, LYS281D, LYS287D, LYS30D, LYS32D, LYS331D, LYS366C, LYS366D, LYS374C, LYS385C, LYS395D, LYS431C, LYS43D, LYS461C, LYS49D, LYS540C, MET164C, MET230C, MET357D, PHE130D, PHE160C, PHE389C, PHE416D, PHE440C, PHE87C, PRO133D, PRO140D, PRO14C, PRO157C, PRO19D, PRO25D, PRO321C, PRO387C, PRO392D, PRO412C, PRO420D, PRO421D, PRO433C, PRO52D, PRO537C, PRO55D, PRO59D, PRO95C, PRO97C, PRO9C, SER134D, SER162C, SER163C, SER268D, SER379C, SER499C, THR131D, THR139D, THR165C, THR253D, THR27D, THR286D, THR290D, THR362D, THR369C, THR369D, THR376C, THR377C, THR386C, THR397D, THR400D, THR403C, THR403D, THR409C, THR419D, THR439C, THR459C, THR497C, THR58D, THR7C, TRP153C, TRP229C, TRP24D, TRP266D, TRP337D, TRP383C, TRP398C, TRP398D, TRP401C, TRP401D, TRP402C, TRP406C, TRP410C, TRP535C, TRP88C, TYR181C, TYR183C, TYR188C, TYR232C, TYR319C, TYR405C, TYR405D, TYR441C, TYR457C, TYR501C, TYR532C, TYR56D, VAL10C, VAL179C, VAL21D, VAL254D, VAL261D, VAL276D, VAL365D, VAL372C, VAL381C, VAL417D, VAL423D, VAL435C, VAL458C, VAL493C, VAL496C, VAL536C, VAL548C, VAL8C, VAL90C