3C1M

cyrstal structure of threonine-sensitive aspartokinase from methanococcus jannaschii with mgamp-pnp and l-aspartate

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 259
  • Norm. En. per Res.: -3.7877
• Hub Node: A(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	-159.6615	43.0558	-864.419	-981.0248	259	38	20	32730	0	30	27
A-C	0.0	5.0903	-139.994	-134.9037	58	0	9	6063	0	21	18
B-D	-12.9479	8.1279	-136.069	-140.889	57	5	8	5854	0	19	18
C-D	-163.4527	30.875	-848.765	-981.3427	264	40	21	33038	0	38	32

Interface residues

• A-B: ALA215A, ALA215B, ALA257A, ALA257B, ALA261A, ALA261B, ALA276A, ALA276B, ALA326A, ALA326B, ALA335A, ALA335B, ALA336A, ALA336B, ALA341A, ALA341B, ALA417A, ALA417B, ALA421A, ALA421B, ALA427A, ALA427B, ALA433A, ALA433B, ALA439A, ALA439B, ARG168A, ARG168B, ARG171A, ARG171B, ARG271A, ARG271B, ARG337A, ARG337B, ARG396A, ARG396B, ARG415A, ARG415B, ASN322A, ASN322B, ASN348A, ASN348B, ASN360A, ASN360B, ASN391A, ASN391B, ASN392A, ASN392B, ASN393A, ASN393B, ASN434A, ASN434B, ASN446A, ASN446B, ASP161B, ASP455A, ASP455B, GLN354A, GLN354B, GLN440A, GLN440B, GLU256A, GLU259A, GLU259B, GLU274A, GLU274B, GLU278A, GLU278B, GLU344A, GLU344B, GLU345A, GLU345B, GLU346A, GLU346B, GLU358A, GLU358B, GLU430A, GLU430B, GLU444A, GLU444B, GLY220A, GLY220B, GLY325A, GLY325B, GLY327A, GLY327B, GLY330A, GLY330B, GLY333A, GLY333B, GLY343A, GLY343B, GLY355A, GLY355B, GLY413B, GLY416A, GLY416B, GLY419A, GLY419B, GLY422A, GLY422B, GLY432A, GLY432B, GLY441A, GLY441B, HIS269A, HIS269B, ILE158A, ILE158B, ILE159A, ILE159B, ILE217B, ILE255A, ILE255B, ILE273A, ILE273B, ILE321A, ILE321B, ILE323A, ILE323B, ILE338A, ILE338B, ILE350A, ILE350B, ILE352A, ILE352B, ILE361A, ILE361B, ILE420A, ILE420B, ILE424A, ILE424B, ILE435A, ILE435B, ILE438A, ILE438B, ILE447A, ILE447B, LEU172A, LEU172B, LEU216A, LEU216B, LEU260A, LEU260B, LEU320A, LEU320B, LEU342A, LEU342B, LEU351A, LEU351B, LEU363A, LEU363B, LEU390A, LEU390B, LEU394B, LYS170A, LYS170B, LYS279A, LYS279B, LYS340A, LYS340B, LYS418A, LYS418B, LYS423A, LYS423B, LYS436A, LYS436B, MET258A, MET258B, MET277A, MET277B, MET328A, MET328B, MET414A, MET414B, MET437A, MET437B, PHE263A, PHE263B, PHE324A, PHE324B, PHE339A, PHE339B, PHE389A, PHE389B, PHE425A, PHE425B, PHE449A, PHE449B, PRO270A, PRO270B, PRO275A, PRO275B, SER332A, SER332B, SER353A, SER353B, SER356A, SER356B, SER357A, SER357B, SER362A, SER362B, SER388A, SER388B, SER399A, SER399B, SER408A, SER429A, SER429B, SER431A, SER431B, SER442A, SER442B, SER443A, SER443B, SER448A, SER448B, THR160A, THR160B, THR272A, THR272B, THR334A, THR334B, THR359A, THR359B, THR426A, THR426B, TYR212A, TYR212B, TYR219A, TYR219B, TYR254A, TYR254B, TYR262A, TYR262B, VAL169A, VAL169B, VAL329A, VAL329B, VAL331A, VAL331B, VAL347A, VAL347B, VAL349A, VAL349B, VAL364A, VAL364B, VAL365A, VAL365B, VAL406A, VAL406B, VAL410A, VAL428A, VAL428B, VAL445A, VAL445B, VAL450A, VAL450B
• A-C: ALA112A, ALA112C, ALA56A, ARG122A, ARG122C, ARG60A, ARG60C, ASN162A, GLU103A, GLU103C, GLU105A, GLU105C, GLU116A, GLU116C, GLY110A, GLY110C, GLY115A, GLY115C, ILE109A, ILE109C, ILE125A, ILE125C, ILE62A, ILE62C, LEU104C, LEU108A, LEU108C, LEU114A, LEU114C, LEU117A, LEU117C, LEU57C, LYS106A, LYS106C, LYS120A, LYS120C, LYS170A, LYS375C, LYS378C, PHE128A, PHE164A, PHE164C, PRO119A, PRO119C, SER121A, SER121C, THR118A, THR118C, TYR113A, TYR113C, TYR124A, TYR124C, TYR201A, TYR201C, VAL107A, VAL107C, VAL111A, VAL111C
• B-D: ALA112B, ALA112D, ARG122B, ARG122D, ARG60B, ARG60D, ASN162D, GLU103B, GLU103D, GLU105B, GLU105D, GLU116B, GLU116D, GLU199D, GLY110B, GLY110D, GLY115B, GLY115D, ILE109B, ILE109D, ILE125B, ILE125D, ILE62B, ILE62D, LEU104B, LEU108B, LEU108D, LEU114B, LEU114D, LEU117B, LEU117D, LEU57B, LEU57D, LYS106B, LYS106D, LYS120B, LYS120D, LYS170D, LYS375B, LYS378B, PHE164D, PRO119B, PRO119D, SER121B, SER121D, THR118B, THR118D, TYR113B, TYR113D, TYR124B, TYR124D, TYR201B, TYR201D, VAL107B, VAL107D, VAL111B, VAL111D
• C-D: ALA215C, ALA215D, ALA257C, ALA257D, ALA261C, ALA261D, ALA276C, ALA276D, ALA326C, ALA326D, ALA335C, ALA335D, ALA336C, ALA336D, ALA341C, ALA341D, ALA417C, ALA417D, ALA421C, ALA421D, ALA427C, ALA427D, ALA433C, ALA433D, ALA439C, ALA439D, ARG168C, ARG168D, ARG171C, ARG171D, ARG271C, ARG271D, ARG337C, ARG337D, ARG396C, ARG396D, ARG415C, ARG415D, ASN322C, ASN322D, ASN348C, ASN348D, ASN360C, ASN360D, ASN391C, ASN391D, ASN392C, ASN392D, ASN393C, ASN393D, ASN434C, ASN434D, ASN446C, ASN446D, ASP161D, ASP455C, ASP455D, GLN354C, GLN354D, GLN440C, GLN440D, GLU256C, GLU259C, GLU259D, GLU274C, GLU274D, GLU278C, GLU278D, GLU344C, GLU344D, GLU345C, GLU345D, GLU346C, GLU346D, GLU358C, GLU358D, GLU430C, GLU430D, GLU444C, GLU444D, GLY220C, GLY220D, GLY325C, GLY325D, GLY327C, GLY327D, GLY330C, GLY330D, GLY333C, GLY333D, GLY343C, GLY343D, GLY355C, GLY355D, GLY413D, GLY416C, GLY416D, GLY419C, GLY419D, GLY422C, GLY422D, GLY432C, GLY432D, GLY441C, GLY441D, HIS269C, HIS269D, ILE158C, ILE158D, ILE159C, ILE159D, ILE217C, ILE217D, ILE255C, ILE255D, ILE273C, ILE273D, ILE321C, ILE321D, ILE323C, ILE323D, ILE338C, ILE338D, ILE350C, ILE350D, ILE352C, ILE352D, ILE361C, ILE361D, ILE420C, ILE420D, ILE424C, ILE424D, ILE435C, ILE435D, ILE438C, ILE438D, ILE447C, ILE447D, ILE451D, LEU172C, LEU172D, LEU216C, LEU216D, LEU260C, LEU260D, LEU320C, LEU320D, LEU342C, LEU342D, LEU351C, LEU351D, LEU363C, LEU363D, LEU390C, LEU390D, LEU394C, LYS170C, LYS170D, LYS279C, LYS279D, LYS340C, LYS340D, LYS386C, LYS387C, LYS387D, LYS418C, LYS418D, LYS423C, LYS423D, LYS436C, LYS436D, LYS466C, LYS466D, MET258C, MET258D, MET277C, MET277D, MET328C, MET328D, MET414C, MET414D, MET437C, MET437D, PHE263C, PHE263D, PHE324C, PHE324D, PHE339C, PHE339D, PHE389C, PHE389D, PHE425C, PHE425D, PHE449C, PHE449D, PRO270C, PRO270D, PRO275C, PRO275D, SER332C, SER332D, SER353C, SER353D, SER356C, SER356D, SER357C, SER357D, SER362C, SER362D, SER388C, SER388D, SER399C, SER399D, SER429C, SER429D, SER431C, SER431D, SER442C, SER442D, SER443C, SER443D, SER448C, SER448D, THR160C, THR160D, THR272C, THR272D, THR334C, THR334D, THR359C, THR359D, THR426C, THR426D, TYR212C, TYR212D, TYR219C, TYR219D, TYR254C, TYR254D, TYR262C, TYR262D, VAL169C, VAL169D, VAL329C, VAL329D, VAL331C, VAL331D, VAL347C, VAL347D, VAL349C, VAL349D, VAL364C, VAL364D, VAL365C, VAL365D, VAL406C, VAL406D, VAL428C, VAL428D, VAL445C, VAL445D, VAL450C, VAL450D