2PT9

the structure of plasmodium falciparum spermidine synthase in complex with decarboxylated s-adenosylmethionine and the inhibitor cis-4- methylcyclohexylamine (4mcha)

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 144
  • Norm. En. per Res.: -4.0888
• Hub Node: A(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
A-B	-3.9697	-22.0053	-90.5861	-116.5611	50	6	3	4009	4	24	29
B-C	-128.3025	-18.4168	-442.072	-588.7913	144	15	10	16094	1	23	22

Interface residues

• A-B: ASP149A, GLN72A, GLU150A, GLU150B, GLU154A, GLU154B, GLU168A, GLU168B, GLU66A, GLU66B, ILE153A, ILE153B, ILE158A, ILE158B, ILE176A, ILE63A, ILE63B, LEU64A, LEU64B, LYS157A, LYS157B, LYS161A, LYS161B, LYS170A, LYS62A, LYS62B, LYS68A, LYS68B, LYS70A, LYS70B, LYS84B, PHE160B, SER156A, SER156B, SER69A, THR151A, THR151B, THR67A, THR67B, TYR159A, TYR159B, TYR167B, TYR65A, TYR65B, TYR71A, VAL152A, VAL155A, VAL155B, VAL74A, VAL76B
• B-C: ALA100C, ALA101B, ALA293C, ALA294B, ALA305C, ALA306B, ALA306C, ALA307B, ALA311C, ALA312B, ALA54C, ALA55B, ASN257C, ASN258B, ASN299C, ASN300B, ASN302C, ASN303B, ASP294C, ASP295B, ASP97C, ASP98B, CYS265C, CYS266B, CYS267C, CYS268B, GLN53C, GLN54B, GLU103C, GLU104B, GLU301C, GLU302B, GLU45C, GLU46B, GLU95C, GLU96B, GLU98C, GLU99B, GLY266C, GLY267B, GLY52C, GLY53B, HIS235C, HIS236B, HIS303C, HIS304B, ILE234C, ILE235B, ILE258C, ILE259B, ILE260C, ILE261B, ILE268C, ILE59C, ILE60B, LEU232C, LEU233B, LEU295C, LEU296B, LEU309C, LEU310B, LEU313C, LEU314B, LEU314C, LEU315B, LEU57C, LEU58B, LYS296C, LYS297B, LYS308C, LYS309B, LYS315C, LYS316B, LYS42B, LYS58C, LYS59B, LYS96C, LYS97B, MET104C, MET105B, PHE100B, PHE293B, PHE307C, PHE308B, PHE312C, PHE313B, PHE43C, PHE44B, PHE46C, PHE47B, PHE55C, PHE56B, PHE76C, PHE77B, PHE99C, PRO261C, PRO262B, PRO264C, PRO265B, PRO310C, PRO311B, PRO51C, PRO52B, SER231C, SER232B, SER259C, SER260B, SER304C, SER305B, SER44C, SER45B, SER47C, SER48B, SER56C, SER57B, SER78C, SER79B, THR262C, THR263B, THR79C, THR80B, THR80C, THR81B, THR95B, TRP233C, TRP234B, TRP42C, TRP43B, TRP50C, TRP51B, TYR101C, TYR102B, TYR263C, TYR264B, TYR297C, TYR298B, TYR298C, TYR299B, TYR300C, TYR301B, TYR81C, TYR82B, VAL236C, VAL237B