2PC4

crystal structure of fructose-bisphosphate aldolase from plasmodium falciparum in complex with trap-tail determined at 2.4 angstrom resolution

• Total interactions analyzed: 10
• Total true interactions: 7
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 150
  • Norm. En. per Res.: -3.6779
• 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	-119.0674	-45.1489	-373.87	-538.0864	153	19	3	14129	3	50	42
A-C	0.0	23.9503	-10.5725	13.3778	23	3	0	348	0	8	7
A-D	-102.7109	-78.7906	-360.464	-541.9654	155	24	9	15542	4	31	25
B-C	-118.6424	-87.7148	-345.333	-551.6902	150	27	8	14877	4	31	26
B-D	0.0	23.7826	-10.575	13.2076	25	5	0	382	1	8	7
C-D	-123.9318	-41.0921	-353.571	-518.595	148	18	3	13473	4	47	41
D-H	-15.7578	-12.4584	-83.565	-111.7811	45	4	0	2984	4	6	5

Interface residues

• A-B: ALA136A, ALA136B, ALA161A, ALA161B, ALA174A, ALA174B, ALA178A, ALA178B, ALA181A, ALA181B, ALA222A, ALA222B, ALA9A, ALA9B, ARG138A, ARG138B, ARG179A, ARG179B, ASN119A, ASN119B, ASN187A, ASN187B, ASN226A, ASN226B, ASN8A, ASN8B, ASP114A, ASP114B, ASP124A, ASP124B, ASP133A, ASP133B, ASP159A, ASP159B, ASP167A, ASP167B, CB7.12360-53.38627, CB7.413337.57535, CYS122A, CYS122B, CYS184A, CYS184B, CYS3A, GLN130A, GLN130B, GLN185A, GLN185B, GLN186A, GLN186B, GLN224A, GLN224B, GLU125A, GLU125B, GLU126A, GLU126B, GLU137A, GLU137B, GLU172A, GLU172B, GLU225A, GLU225B, GLU5A, GLU5B, GLY116A, GLY116B, GLY131A, GLY131B, GLY134A, GLY134B, GLY163A, GLY163B, GLY176A, GLY176B, GLY227A, GLY227B, HIS171A, HIS171B, HIS2A, HIS2A5, ILE120A, ILE120B, ILE170A, ILE170B, ILE183A, ILE183B, LEU132A, LEU132B, LEU135A, LEU135B, LEU13A, LEU13B, LEU168A, LEU168B, LEU223A, LEU223B, LEU229A, LEU229B, LYS115A, LYS115B, LYS11A, LYS11B, LYS127A, LYS127B, LYS12A, LYS12B, LYS140B, LYS162A, LYS162B, LYS164A, LYS164B, LYS214A, LYS214B, LYS221A, MET7A, MET7B, PRO10A, PRO10B, PRO121A, PRO121B, PRO14A, PRO14B, PRO165A, PRO165B, SER128A, SER128B, SER169A, SER169B, SER182A, SER182B, THR123A, THR123B, THR129A, THR129B, THR160A, THR160B, THR166A, THR166B, THR173A, THR173B, THR4A, THR4B, TRP152A, TRP152B, TRP175A, TRP175B, TYR180A, TYR180B, TYR6A, TYR6B, VAL118A, VAL118B, VAL228A, VAL228B
• A-C: ALA161A, ALA161C, ASN8A, ASN8C, ASP167A, ASP167C, GLY163A, GLY163C, ILE170A, ILE170C, LEU168A, LEU168C, LYS214A, LYS214C, MET7C, THR160A, THR160C, THR166A, THR166C, THR4A, THR4C, TYR6A, TYR6C
• A-D: ALA161A, ALA161D, ALA18A, ALA18D, ALA209A, ALA209D, ALA222A, ALA222D, ALA242A, ALA248A, ALA270A, ALA270D, ALA9A, ALA9D, ARG261A, ARG261D, ARG264A, ARG264D, ARG265A, ARG265D, ASN8A, ASN8D, ASP159A, ASP159D, ASP167A, ASP167D, CYS208A, CYS208D, CYS218A, CYS218D, CYS246A, CYS3A, CYS3D, GLN213A, GLN213D, GLN224A, GLN224D, GLN26A, GLN26D, GLU126D, GLU206A, GLU206D, GLU225A, GLU225D, GLU231A, GLU231D, GLU5A, GLU5D, GLY163A, GLY163D, GLY227A, GLY227D, GLY232A, GLY232D, GLY243A, HIS171A, HIS171D, HIS203A, HIS203D, HIS299A, HIS299D, ILE158A, ILE158D, ILE170A, ILE170D, ILE205A, ILE205D, LEU13A, LEU13D, LEU168A, LEU168D, LEU216A, LEU223A, LEU223D, LEU229A, LEU229D, LEU230A, LEU230D, LEU258A, LEU258D, LEU263A, LEU263D, LEU271A, LEU271D, LYS11A, LYS11D, LYS12A, LYS12D, LYS162A, LYS162D, LYS164A, LYS164D, LYS214A, LYS214D, LYS221A, LYS221D, MET7A, MET7D, PHE220A, PHE220D, PHE257A, PHE257D, PRO10A, PRO10D, PRO165A, PRO165D, PRO202A, PRO268A, PRO268D, PRO269A, PRO269D, PRO272A, PRO272D, PRO300A, PRO300D, SER169A, SER169D, SER204A, SER204D, SER217A, SER217D, THR160A, THR160D, THR166A, THR166D, THR212A, THR247A, THR262A, THR262D, THR266A, THR266D, THR4A, THR4D, TRP301A, TRP301D, TYR6A, TYR6D, VAL157A, VAL157D, VAL207A, VAL207D, VAL210A, VAL210D, VAL211A, VAL211D, VAL215A, VAL215D, VAL219A, VAL219D, VAL228A, VAL228D, VAL260A, VAL260D, VAL267A, VAL267D
• B-C: ALA161B, ALA161C, ALA18B, ALA18C, ALA209C, ALA222B, ALA222C, ALA270B, ALA270C, ALA302B, ALA9B, ALA9C, ARG261B, ARG261C, ARG264B, ARG264C, ARG265B, ARG265C, ASN8B, ASN8C, ASP159B, ASP159C, ASP167B, ASP167C, CYS208B, CYS208C, CYS218B, CYS218C, CYS3B, CYS3C, GLN213B, GLN213C, GLN224B, GLN224C, GLN26B, GLN26C, GLU126B, GLU126C, GLU206B, GLU206C, GLU225B, GLU225C, GLU231B, GLU231C, GLU5B, GLU5C, GLY163B, GLY163C, GLY227B, GLY227C, GLY232B, GLY232C, HIS171B, HIS171C, HIS203B, HIS203C, HIS299B, HIS299C, ILE158B, ILE158C, ILE170B, ILE170C, ILE205C, LEU13B, LEU13C, LEU156C, LEU168B, LEU168C, LEU216B, LEU216C, LEU223B, LEU229B, LEU229C, LEU230B, LEU230C, LEU258C, LEU263B, LEU263C, LEU271B, LEU271C, LYS11B, LYS11C, LYS12B, LYS12C, LYS162B, LYS162C, LYS164B, LYS164C, LYS214B, LYS214C, LYS221B, LYS221C, MET7B, MET7C, PHE220B, PHE220C, PHE257B, PHE257C, PRO10B, PRO10C, PRO165B, PRO165C, PRO202C, PRO268B, PRO268C, PRO269B, PRO269C, PRO272B, PRO272C, PRO300B, PRO300C, SER169B, SER169C, SER204B, SER204C, SER217B, SER217C, THR160B, THR160C, THR166B, THR166C, THR212C, THR262B, THR262C, THR266B, THR266C, THR4B, THR4C, TRP301B, TRP301C, TYR6B, TYR6C, VAL157B, VAL157C, VAL207B, VAL207C, VAL210B, VAL210C, VAL211B, VAL211C, VAL215B, VAL215C, VAL219B, VAL219C, VAL228B, VAL228C, VAL260B, VAL260C, VAL267B, VAL267C
• B-D: ALA161B, ALA161D, ALA9B, ALA9D, ASN8B, ASN8D, ASP167B, ASP167D, GLY163B, GLY163D, HIS171B, ILE170B, ILE170D, LEU168B, LEU168D, LYS214B, LYS214D, MET7B, MET7D, THR160B, THR160D, THR166B, THR166D, TYR6B, TYR6D
• C-D: ALA136C, ALA136D, ALA161C, ALA161D, ALA174C, ALA174D, ALA178C, ALA178D, ALA181C, ALA181D, ALA222C, ALA222D, ALA9C, ALA9D, ARG138C, ARG138D, ARG179C, ARG179D, ASN119C, ASN119D, ASN187C, ASN187D, ASN226C, ASN226D, ASN8C, ASN8D, ASP114C, ASP114D, ASP124C, ASP124D, ASP133C, ASP133D, ASP159C, ASP159D, ASP167C, ASP167D, CYS122C, CYS122D, CYS184C, CYS184D, CYS3C, GLN130C, GLN130D, GLN185C, GLN185D, GLN186C, GLN186D, GLN224C, GLN224D, GLU125C, GLU125D, GLU126C, GLU126D, GLU137C, GLU137D, GLU172C, GLU172D, GLU225C, GLU225D, GLU5C, GLU5D, GLY116C, GLY131C, GLY131D, GLY134C, GLY134D, GLY163C, GLY163D, GLY176C, GLY176D, GLY227C, GLY227D, HIS171C, HIS171D, HIS2C, ILE120C, ILE120D, ILE170C, ILE170D, ILE183C, ILE183D, LEU132C, LEU132D, LEU135C, LEU135D, LEU13C, LEU13D, LEU168C, LEU168D, LEU223C, LEU229C, LEU229D, LYS115C, LYS115D, LYS11C, LYS11D, LYS127C, LYS127D, LYS12C, LYS12D, LYS140D, LYS162C, LYS162D, LYS164C, LYS164D, LYS214C, LYS214D, LYS221D, MET7C, MET7D, PRO10C, PRO10D, PRO121C, PRO121D, PRO14C, PRO14D, PRO165C, PRO165D, SER128C, SER128D, SER169C, SER169D, SER182C, SER182D, THR123C, THR123D, THR129C, THR129D, THR160C, THR160D, THR166C, THR166D, THR173C, THR173D, THR4C, THR4D, TRP152C, TRP152D, TRP175C, TRP175D, TYR180C, TYR180D, TYR6C, TYR6D, VAL118C, VAL118D, VAL228C, VAL228D
• D-H: ALA310D, ALA313D, ALA37D, ALA38D, ARG153D, ARG309D, ARG48D, ARG65D, ASN317D, ASN51D, ASN606H, ASP114D, ASP39D, ASP604H, GLN312D, GLN43D, GLU194D, GLU196D, GLU283D, GLU40D, GLY279D, GLY280D, GLY308D, ILE45D, ILE82D, LEU117D, LEU198D, LEU277D, LEU311D, LEU316D, LEU36D, LEU68D, LYS112D, LYS151D, LYS236D, LYS47D, SER278D, SER314D, SER41D, THR44D, TRP605H, TYR244D, TYR64D, VAL155D, VAL315D