3PCO

crystal structure of e. coli phenylalanine-trna synthetase complexed with phenylalanine and amp

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 186
  • Norm. En. per Res.: -4.1927
• 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	-127.8698	28.4303	-869.313	-968.7526	320	64	19	37107	8	107	90
A-C	0.0	1.0862	-24.9178	-23.8316	26	0	0	971	0	2	8
A-D	-113.0463	-116.9862	-514.434	-744.4665	183	36	11	20110	9	61	63
B-C	-107.1065	-164.8202	-507.908	-779.8348	186	30	10	20136	12	64	62
B-D	-60.6642	24.6824	-285.334	-321.3158	137	14	4	10852	9	33	35
C-D	-105.2643	14.7444	-881.809	-972.3289	313	58	20	37093	6	103	90

Interface residues

• A-B: ALA151A, ALA153A, ALA22B, ALA255A, ALA28B, ALA466B, ALA481B, ALA543B, ALA554B, ALA582B, ALA608B, ARG100A, ARG111A, ARG115A, ARG152A, ARG164A, ARG166B, ARG167A, ARG176A, ARG186A, ARG192A, ARG195A, ARG232A, ARG242A, ARG244A, ARG281A, ARG313A, ARG321A, ARG346B, ARG348B, ARG362B, ARG409B, ARG415B, ARG452B, ARG467B, ARG545B, ARG562B, ARG566B, ARG568B, ARG575B, ARG587B, ARG600B, ARG99A, ASN103A, ASN144A, ASN165B, ASN196A, ASN217A, ASN222A, ASN23B, ASN278A, ASN318A, ASN472B, ASN473B, ASN503B, ASN559B, ASN561B, ASN565B, ASN599B, ASN606B, ASP114A, ASP135A, ASP136A, ASP154A, ASP156A, ASP161A, ASP197A, ASP199A, ASP215A, ASP229A, ASP258A, ASP286A, ASP319A, ASP33B, ASP414B, ASP454B, ASP460B, ASP476B, ASP504B, ASP579B, ASP616B, ASP620B, ASP93A, CYS272A, GLN240A, GLN24B, GLN325A, GLN480B, GLN508B, GLN560B, GLN563B, GLN564B, GLN588B, GLU102A, GLU117A, GLU122A, GLU132A, GLU134A, GLU252A, GLU256A, GLU268A, GLU288A, GLU300A, GLU317A, GLU31B, GLU361B, GLU456B, GLU458B, GLU459B, GLU463B, GLU464B, GLU477B, GLU509B, GLU571B, GLU602B, GLU603B, GLY104A, GLY105A, GLY124A, GLY130A, GLY147A, GLY191A, GLY225A, GLY273A, GLY292A, GLY29B, GLY345B, GLY34B, GLY418B, GLY470B, GLY486B, GLY506B, GLY551B, GLY573B, GLY585B, GLY98A, HIS107A, HIS138A, HIS148A, HIS149A, HIS202A, HIS207A, HIS228A, HIS276A, HIS358B, HIS419B, HIS420B, HIS488B, HIS604B, ILE101A, ILE113A, ILE133A, ILE160B, ILE185A, ILE213A, ILE218A, ILE241A, ILE25B, ILE343B, ILE417B, ILE421B, ILE457B, ILE474B, ILE484B, ILE511B, ILE537B, ILE569B, ILE586B, ILE92A, LEU106A, LEU123A, LEU165A, LEU166A, LEU182B, LEU223A, LEU227A, LEU280A, LEU30B, LEU312A, LEU320A, LEU323A, LEU341B, LEU413B, LEU416B, LEU461B, LEU483B, LEU495B, LEU501B, LEU502B, LEU531B, LEU532B, LEU533B, LEU548B, LEU552B, LEU574B, LEU584B, LEU590B, LEU607B, LEU96A, LYS224A, LYS265A, LYS324A, LYS327A, LYS412B, LYS496B, LYS499B, LYS505B, MET205A, MET209A, MET274A, MET27B, MET299A, MET455B, MET485B, MET541B, MET544B, MET591B, PHE125A, PHE158A, PHE160A, PHE206A, PHE220A, PHE243A, PHE248A, PHE293A, PHE315A, PHE316A, PHE322A, PHE326A, PHE515B, PHE570B, PHE576B, PRO108A, PRO131A, PRO146A, PRO150A, PRO164B, PRO184A, PRO190A, PRO204A, PRO245A, PRO249A, PRO253A, PRO277A, PRO287A, PRO340B, PRO475B, PRO478B, PRO534B, PRO536B, PRO578B, PRO583B, PRO97A, SER118A, SER161B, SER219A, SER246A, SER254A, SER291A, SER314A, SER482B, SER514B, SER535B, SER538B, SER542B, SER572B, SER95A, THR110A, THR112A, THR126A, THR129A, THR157A, THR162A, THR163A, THR163B, THR203A, THR216A, THR221A, THR226A, THR251A, THR26B, THR344B, THR487B, THR500B, THR512B, THR555B, THR580B, TRP159A, TRP266A, TRP605B, TYR137A, TYR194A, TYR198A, TYR247A, TYR290A, TYR469B, TYR471B, TYR507B, TYR513B, TYR558B, TYR601B, VAL109A, VAL127A, VAL162B, VAL193A, VAL257A, VAL275A, VAL279A, VAL289A, VAL32B, VAL462B, VAL468B, VAL479B, VAL498B, VAL510B, VAL556B, VAL567B, VAL577B, VAL612B, VAL94A
• A-C: ARG100A, ARG100C, ARG186A, ARG186C, ARG99C, GLU117A, GLU122A, GLU122C, GLY121A, GLY121C, GLY124A, GLY124C, ILE101A, ILE101C, LEU123A, LEU123C, PHE120A, PHE120C, PHE125A, PHE125C, SER118A, SER118C, THR126A, THR126C, VAL127A, VAL127C
• A-D: 6154CB9.6510, ALA481D, ALA491D, ALA638D, ALA650D, ALA651D, ALA697D, ALA705D, ALA720D, ALA721D, ALA88A, ALA89A, ARG100A, ARG111A, ARG115A, ARG186A, ARG232A, ARG306A, ARG313A, ARG321A, ARG489D, ARG497D, ARG600D, ARG637D, ARG678D, ARG692D, ARG698D, ARG702D, ARG745D, ARG86A, ARG86A5, ARG99A, ASN103A, ASN217A, ASN222A, ASN233A, ASN632D, ASN717D, ASN739D, ASP215A, ASP229A, ASP311A, ASP319A, ASP492D, ASP504D, ASP613D, ASP616D, ASP620D, ASP626D, ASP722D, ASP742D, ASP764D, ASP93A, GLN325A, GLN480D, GLN648D, GLN696D, GLN763D, GLU102A, GLU117A, GLU122A, GLU236A, GLU317A, GLU490D, GLU610D, GLU622D, GLU635D, GLU639D, GLU668D, GLU699D, GLU716D, GLU90A, GLY104A, GLY105A, GLY121A, GLY124A, GLY225A, GLY308A, GLY486D, GLY619D, GLY629D, GLY647D, GLY663D, GLY98A, HIS228A, HIS488D, HIS645D, HIS666D, ILE101A, ILE116A, ILE213A, ILE484D, ILE652D, ILE700D, ILE723D, ILE761D, ILE92A, LEU106A, LEU123A, LEU227A, LEU231A, LEU305A, LEU320A, LEU323A, LEU483D, LEU493D, LEU501D, LEU617D, LEU621D, LEU625D, LEU627D, LEU631D, LEU644D, LEU680D, LEU724D, LEU740D, LEU756D, LEU87A, LEU96A, LYS324A, LYS327A, LYS505D, LYS618D, LYS754D, MET297A, MET304A, MET485D, PHE119A, PHE120A, PHE125A, PHE230A, PHE234A, PHE235A, PHE293A, PHE295A, PHE315A, PHE322A, PHE326A, PHE614D, PHE636D, PHE703D, PHE741D, PRO108A, PRO646D, PRO667D, PRO695D, PRO704D, PRO719D, PRO97A, SER118A, SER314A, SER482D, SER623D, SER649D, SER701D, SER725D, SER95A, THR112A, THR216A, THR226A, THR303A, THR310A, THR487D, THR611D, THR628D, THR765D, THR91A, TYR307A, TYR601D, TYR615D, VAL309A, VAL479D, VAL612D, VAL624D, VAL662D, VAL664D, VAL665D, VAL693D, VAL694D, VAL718D, VAL736D, VAL743D, VAL94A
• B-C: ALA481B, ALA491B, ALA638B, ALA650B, ALA651B, ALA697B, ALA705B, ALA720B, ALA721B, ALA88C, ALA89C, ARG100C, ARG111C, ARG115C, ARG186C, ARG232C, ARG306C, ARG313C, ARG321C, ARG489B, ARG497B, ARG600B, ARG637B, ARG671B, ARG678B, ARG692B, ARG698B, ARG702B, ARG745B, ARG86C, ARG99C, ASN103C, ASN217C, ASN222C, ASN233C, ASN632B, ASN717B, ASN739B, ASN84C, ASP215C, ASP229C, ASP311C, ASP319C, ASP492B, ASP504B, ASP613B, ASP616B, ASP620B, ASP626B, ASP722B, ASP742B, ASP93C, GLN325C, GLN480B, GLN648B, GLN696B, GLN763B, GLU102C, GLU117C, GLU122C, GLU236C, GLU317C, GLU490B, GLU610B, GLU622B, GLU635B, GLU639B, GLU668B, GLU699B, GLU716B, GLU90C, GLY104C, GLY105C, GLY121C, GLY124C, GLY225C, GLY308C, GLY486B, GLY619B, GLY629B, GLY647B, GLY663B, GLY98C, HIS228C, HIS488B, HIS645B, HIS666B, ILE101C, ILE116C, ILE188C, ILE213C, ILE218C, ILE484B, ILE596B, ILE652B, ILE700B, ILE723B, ILE761B, ILE92C, LEU106C, LEU123C, LEU227C, LEU231C, LEU305C, LEU312C, LEU320C, LEU323C, LEU483B, LEU501B, LEU617B, LEU621B, LEU625B, LEU627B, LEU631B, LEU644B, LEU669B, LEU680B, LEU724B, LEU740B, LEU756B, LEU83C, LEU87C, LEU96C, LYS324C, LYS327C, LYS505B, LYS618B, LYS630B, LYS754B, MET297C, MET304C, MET485B, PHE119C, PHE120C, PHE125C, PHE230C, PHE234C, PHE235C, PHE293C, PHE295C, PHE315C, PHE322C, PHE326C, PHE614B, PHE636B, PHE703B, PHE741B, PRO108C, PRO646B, PRO667B, PRO695B, PRO704B, PRO719B, PRO97C, SER118C, SER314C, SER482B, SER623B, SER649B, SER701B, SER95C, THR112C, THR216C, THR226C, THR303C, THR310C, THR487B, THR611B, THR628B, THR765B, THR91C, TYR307C, TYR601B, TYR615B, VAL309C, VAL612B, VAL624B, VAL662B, VAL664B, VAL693B, VAL694B, VAL718B, VAL736B, VAL738B, VAL743B, VAL94C
• B-D: ALA481B, ALA481D, ALA705B, ALA705D, ALA720D, ALA757B, ALA757D, ARG497B, ARG497D, ARG562B, ARG562D, ARG600B, ARG600D, ARG702B, ARG702D, ARG707B, ARG707D, ARG745B, ARG745D, ASN503B, ASN503D, ASN559D, ASN561B, ASN561D, ASN606B, ASN606D, ASN706B, ASN706D, ASN739B, ASN739D, ASP476B, ASP504B, ASP504D, ASP613B, ASP613D, ASP616B, ASP616D, ASP709B, ASP709D, ASP742B, ASP742D, GLN480B, GLN480D, GLN563B, GLN563D, GLN564B, GLN564D, GLN763B, GLN763D, GLU477B, GLU477D, GLU602B, GLU602D, GLU603B, GLU603D, GLU610B, GLU622B, GLU622D, GLY506B, GLY506D, GLY619B, GLY619D, HIS604B, HIS604D, ILE484B, ILE484D, ILE700B, ILE700D, ILE758B, ILE761B, ILE761D, LEU483B, LEU483D, LEU501B, LEU501D, LEU502B, LEU502D, LEU607B, LEU607D, LEU627B, LEU627D, LEU724B, LEU724D, LEU740B, LEU740D, LEU756B, LEU756D, LYS496B, LYS496D, LYS499B, LYS499D, LYS505B, LYS505D, LYS609B, LYS609D, LYS618B, LYS618D, MET485B, MET485D, PHE614B, PHE614D, PHE703B, PHE703D, PHE741B, PHE741D, PRO478B, PRO478D, PRO704B, PRO704D, SER482B, SER482D, SER623B, SER623D, SER701B, SER701D, SER759B, SER759D, THR500B, THR500D, THR628B, THR628D, TRP605B, TRP605D, TYR558B, TYR558D, TYR601B, TYR601D, TYR615B, TYR615D, TYR744B, TYR744D, VAL479B, VAL479D, VAL498B, VAL498D, VAL743B, VAL743D
• C-D: ALA151C, ALA153C, ALA22D, ALA255C, ALA28D, ALA466D, ALA481D, ALA530D, ALA543D, ALA554D, ALA582D, ALA608D, ARG100C, ARG111C, ARG115C, ARG152C, ARG164C, ARG166D, ARG167C, ARG176C, ARG186C, ARG192C, ARG195C, ARG242C, ARG244C, ARG281C, ARG313C, ARG321C, ARG346D, ARG348D, ARG362D, ARG409D, ARG415D, ARG452D, ARG467D, ARG545D, ARG562D, ARG566D, ARG568D, ARG575D, ARG587D, ARG600D, ARG99C, ASN103C, ASN144C, ASN165D, ASN196C, ASN217C, ASN222C, ASN23D, ASN278C, ASN318C, ASN472D, ASN473D, ASN503D, ASN559D, ASN561D, ASN565D, ASN599D, ASN606D, ASP114C, ASP135C, ASP136C, ASP154C, ASP156C, ASP161C, ASP197C, ASP199C, ASP215C, ASP229C, ASP258C, ASP286C, ASP319C, ASP33D, ASP414D, ASP454D, ASP460D, ASP476D, ASP504D, ASP579D, ASP620D, ASP93C, CYS272C, GLN181C, GLN240C, GLN24D, GLN325C, GLN480D, GLN508D, GLN560D, GLN563D, GLN564D, GLN588D, GLU102C, GLU117C, GLU122C, GLU132C, GLU134C, GLU159D, GLU252C, GLU256C, GLU268C, GLU288C, GLU300C, GLU317C, GLU31D, GLU361D, GLU456D, GLU458D, GLU459D, GLU463D, GLU464D, GLU477D, GLU509D, GLU571D, GLU602D, GLU603D, GLY104C, GLY105C, GLY124C, GLY130C, GLY147C, GLY191C, GLY225C, GLY273C, GLY292C, GLY29D, GLY345D, GLY34D, GLY418D, GLY470D, GLY486D, GLY506D, GLY551D, GLY573D, GLY585D, GLY98C, HIS107C, HIS138C, HIS148C, HIS149C, HIS155C, HIS202C, HIS207C, HIS228C, HIS276C, HIS358D, HIS419D, HIS420D, HIS604D, ILE101C, ILE113C, ILE133C, ILE160D, ILE188C, ILE213C, ILE218C, ILE241C, ILE25D, ILE417D, ILE457D, ILE474D, ILE484D, ILE511D, ILE537D, ILE569D, ILE586D, ILE92C, LEU106C, LEU123C, LEU165C, LEU166C, LEU182D, LEU223C, LEU227C, LEU267C, LEU280C, LEU30D, LEU312C, LEU320C, LEU323C, LEU341D, LEU413D, LEU416D, LEU461D, LEU483D, LEU495D, LEU502D, LEU531D, LEU532D, LEU533D, LEU548D, LEU552D, LEU574D, LEU584D, LEU590D, LEU607D, LEU96C, LYS224C, LYS265C, LYS324C, LYS327C, LYS412D, LYS496D, LYS499D, LYS505D, MET205C, MET274C, MET27D, MET455D, MET485D, MET541D, MET544D, MET591D, PHE120C, PHE125C, PHE158C, PHE160C, PHE206C, PHE220C, PHE243C, PHE248C, PHE293C, PHE315C, PHE316C, PHE322C, PHE326C, PHE515D, PHE570D, PHE576D, PRO108C, PRO131C, PRO146C, PRO150C, PRO164D, PRO184C, PRO190C, PRO204C, PRO245C, PRO249C, PRO253C, PRO277C, PRO287C, PRO340D, PRO475D, PRO478D, PRO534D, PRO536D, PRO578D, PRO583D, PRO97C, SER118C, SER161D, SER219C, SER246C, SER254C, SER291C, SER314C, SER342D, SER411D, SER482D, SER514D, SER535D, SER538D, SER542D, SER572D, THR110C, THR126C, THR129C, THR157C, THR163C, THR163D, THR203C, THR216C, THR221C, THR226C, THR251C, THR26D, THR344D, THR487D, THR500D, THR512D, THR555D, THR580D, TRP159C, TRP266C, TRP605D, TYR137C, TYR194C, TYR198C, TYR247C, TYR290C, TYR471D, TYR507D, TYR513D, TYR558D, TYR601D, VAL109C, VAL127C, VAL162D, VAL193C, VAL214C, VAL275C, VAL289C, VAL32D, VAL462D, VAL465D, VAL468D, VAL479D, VAL510D, VAL556D, VAL567D, VAL577D