3JQQ

crystal structure of the h286k mutant of ferredoxin-nadp+ reductase from plasmodium falciparum in complex with 2'p- amp

• Total interactions analyzed: 15
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 48
  • Norm. En. per Res.: -1.9167
• Hub Node: C(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	-33.3334	18.6105	88.7096	73.9867	116	15	0	7728	0	16	32
B-C	-16.998	4.0944	-79.098	-92.0015	48	1	0	3645	0	6	7
B-E	0.0	-11.3988	-72.863	-84.2618	63	13	0	4772	0	7	8
C-D	-53.2106	23.5927	-47.725	-77.3428	141	25	2	10288	0	29	31
C-E	0.0	0.0	-41.2587	-41.2587	34	4	3	2573	0	4	6
E-F	-32.8252	10.7654	616.78	594.7202	101	19	2	7682	0	21	32

Interface residues

• A-B: ALA100A, ALA100B, ARG101A, ARG101B, ARG290A, ARG290B, ARG98A, ARG98B, ASN134A, ASN134B, ASN14A, ASN219B, ASN251A, ASN30B, ASN33A, ASN33B, ASP261A, ASP261B, ASP295B, CYS99A, CYS99B, GLN250A, GLN260A, GLN260B, GLN97A, GLN97B, GLU124B, GLU262A, GLU262B, GLU314A, GLU314B, GLY136B, GLY158A, GLY158B, HIS121A, HIS121B, HIS157A, HIS157B, ILE120A, ILE120B, ILE289A, ILE289B, ILE296B, ILE57A, ILE57B, ILE94B, LEU102A, LEU102B, LYS119A, LYS119B, LYS122A, LYS122B, LYS13A, LYS13B, LYS249A, LYS249B, LYS265A, LYS265B, LYS267B, LYS286A, LYS286B, LYS287A, LYS287B, LYS292A, LYS292B, LYS298B, LYS308A, LYS95B, LYS96B, MET294B, PHE257A, PHE257B, PRO32A, PRO32B, PRO58B, SER139B, SER247A, SER247B, SER256A, SER256B, SER288A, SER288B, SER299B, SER31B, THR11A, THR11B, THR154A, THR255A, THR255B, TYR123A, TYR123B, TYR137A, TYR137B, TYR159A, TYR159B, TYR218A, TYR218B, TYR248A, TYR248B, TYR258A, TYR258B, TYR264A, TYR264B, TYR291A, TYR291B, TYR316A, TYR316B, VAL12A, VAL12B, VAL259A, VAL259B, VAL293B, VAL313A, VAL313B, VAL315A, VAL315B
• B-C: ALA194C, ARG203C, ASN148B, ASN14B, ASN170C, ASN204C, ASN206C, ASN238C, ASN239C, ASN41B, ASN43B, ASN61B, ASN8B, ASP150B, ASP165C, CYS18B, GLN168C, GLU62B, GLY209C, GLY44B, HIS42B, ILE167C, ILE240C, LEU16B, LEU45B, LEU9B, LYS13B, LYS169C, LYS17B, LYS19B, LYS278C, LYS47B, LYS96B, PHE193C, PHE46B, PRO15B, PRO237C, SER205C, THR11B, THR171C, THR208C, TYR10B, TYR152B, TYR207C, TYR210C, TYR236C, TYR277C, TYR60B
• B-E: ALA166B, ALA166E, ALA194B, ARG203B, ARG203E, ASN109B, ASN110B, ASN164B, ASN170B, ASN170E, ASN172E, ASN198B, ASN199B, ASN202B, ASN202E, ASN204B, ASN204E, ASN206E, ASN238E, ASN239E, ASN5B, ASP165B, ASP165E, ASP196B, GLN168B, GLN168E, GLN233E, GLU112B, GLU50B, GLY209B, GLY209E, ILE167B, ILE167E, LEU192B, LEU200E, LEU49B, LYS169B, LYS169E, LYS190B, LYS191B, LYS234E, LYS278E, MET111B, MET235E, PHE193B, PHE6B, PRO163B, PRO237E, SER108B, SER205B, SER205E, THR171B, THR171E, THR208B, THR208E, TYR195B, TYR201B, TYR201E, TYR207B, TYR207E, TYR210E, TYR236E, TYR277E
• C-D: ALA100C, ALA100D, ALA254C, ALA254D, ARG101C, ARG101D, ARG266C, ARG266D, ARG290C, ARG290D, ARG98C, ARG98D, ASN134C, ASN134D, ASN219C, ASN219D, ASN251C, ASN251D, ASN30C, ASN30D, ASN33C, ASN33D, ASN8D, ASP253C, ASP261C, ASP261D, ASP295C, ASP295D, CYS99C, CYS99D, GLN125C, GLN125D, GLN250C, GLN250D, GLN260C, GLN260D, GLN97D, GLU124C, GLU124D, GLU262C, GLU262D, GLU314C, GLU314D, GLU34C, GLY158C, GLY158D, GLY179D, HIS121C, HIS121D, HIS157C, HIS157D, HIS312C, HIS312D, ILE120C, ILE263C, ILE263D, ILE289C, ILE289D, ILE296C, ILE296D, ILE57C, ILE57D, ILE7C, ILE7D, LEU102C, LEU102D, LYS119C, LYS119D, LYS122C, LYS122D, LYS13C, LYS13D, LYS249C, LYS249D, LYS265C, LYS265D, LYS267C, LYS267D, LYS286C, LYS286D, LYS287C, LYS287D, LYS292C, LYS292D, LYS308C, LYS308D, LYS309D, PHE160C, PHE160D, PHE257C, PHE257D, PRO32C, PRO32D, SER247C, SER247D, SER252C, SER252D, SER256C, SER256D, SER288C, SER288D, SER299C, SER31C, SER31D, THR11C, THR126C, THR178D, THR255C, THR255D, THR53D, TYR123C, TYR123D, TYR137C, TYR137D, TYR159C, TYR159D, TYR218C, TYR218D, TYR248C, TYR248D, TYR258C, TYR258D, TYR264C, TYR264D, TYR291C, TYR291D, TYR316C, TYR316D, TYR60C, TYR60D, VAL12C, VAL12D, VAL259C, VAL259D, VAL293C, VAL293D, VAL311D, VAL313C, VAL313D, VAL315C, VAL315D
• C-E: ASN14C, ASN14E, ASN41E, ASN43C, ASN43E, ASN4C, ASN5C, ASN5E, ASN8C, ASN8E, GLU112E, GLY44C, GLY44E, HIS42C, HIS42E, LEU16C, LEU16E, LEU45C, LEU45E, LEU9C, LEU9E, LYS13E, LYS17C, LYS17E, LYS47C, LYS47E, PHE46C, PHE46E, PHE6C, PHE6E, PRO15E, TYR10C, TYR10E, TYR152E
• E-F: ALA100E, ALA100F, ALA254F, ARG101E, ARG101F, ARG290E, ARG290F, ARG98E, ARG98F, ASN134E, ASN134F, ASN33E, ASN33F, ASP261E, ASP261F, ASP295E, CYS99E, CYS99F, GLN250F, GLN260E, GLN260F, GLN97E, GLN97F, GLU124E, GLU124F, GLU262E, GLU262F, GLU314E, GLU314F, GLY158E, GLY158F, HIS121E, HIS121F, HIS157E, HIS157F, ILE120F, ILE289E, ILE289F, ILE296E, ILE57E, ILE57F, LEU102E, LEU102F, LYS119E, LYS119F, LYS122E, LYS122F, LYS13E, LYS13F, LYS249F, LYS265E, LYS265F, LYS267E, LYS286E, LYS286F, LYS287E, LYS287F, LYS292E, LYS292F, PHE257E, PHE257F, PRO32E, PRO32F, PRO58F, SER139F, SER222F, SER247E, SER247F, SER256E, SER256F, SER288E, SER288F, SER31F, THR11F, THR154F, THR255E, THR255F, TYR123E, TYR123F, TYR137F, TYR159E, TYR159F, TYR218E, TYR218F, TYR248E, TYR248F, TYR258E, TYR258F, TYR264E, TYR264F, TYR291E, TYR291F, TYR316E, TYR316F, VAL12E, VAL12F, VAL259E, VAL313E, VAL313F, VAL315E, VAL315F