2O2Y

the crystal structure of p. falciparum enoyl acyl carrier protein reductase

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 159
  • Norm. En. per Res.: -4.2184
• 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	-63.5887	-98.8607	-518.532	-680.9814	171	19	27	20868	5	50	34
A-C	-119.3644	-44.0542	-473.125	-636.5436	163	27	16	19547	10	38	32
A-D	-80.3173	1.8855	-310.05	-388.4818	97	13	15	11919	0	8	12
B-C	-61.1877	2.1465	-304.727	-363.7681	105	14	15	12230	0	8	11
B-D	-103.1362	-77.6272	-489.956	-670.7194	159	23	16	19570	9	38	32
C-D	-56.4024	-94.2622	-515.454	-666.1186	170	12	28	20830	4	50	34

Interface residues

• A-B: ALA154A, ALA154B, ALA186A, ALA186B, ALA201A, ALA201B, ALA203A, ALA203B, ALA204A, ALA204B, ALA213A, ALA213B, ALA86A, ALA86B, ARG148A, ARG148B, ARG210A, ARG210B, ARG218A, ARG218B, ASN145A, ASN145B, ASN171A, ASN171B, ASN219A, ASN219B, ASN92B, ASP142A, ASP142B, ASP153A, ASP153B, ASP208A, ASP208B, ASP85A, ASP85B, ASP89A, ASP89B, ASP93A, ASP93B, CYS166A, CYS166B, GLN188A, GLN188B, GLN326A, GLN326B, GLU138A, GLU138B, GLU206A, GLU206B, GLY150A, GLY150B, GLY193A, GLY193B, GLY195A, GLY195B, GLY196A, GLY196B, GLY197A, GLY197B, GLY217A, GLY217B, GLY325A, GLY325B, HIS131A, HIS131B, HIS185A, HIS185B, HIS215A, HIS215B, ILE112A, ILE112B, ILE163A, ILE163B, ILE179A, ILE179B, ILE222A, ILE222B, ILE224A, ILE224B, LEU133B, LEU143A, LEU143B, LEU144A, LEU144B, LEU152A, LEU152B, LEU155A, LEU155B, LEU162A, LEU162B, LEU165A, LEU165B, LEU205A, LEU205B, LEU212A, LEU212B, LEU216A, LEU216B, LYS141A, LYS141B, LYS149A, LYS149B, LYS157A, LYS157B, LYS167A, LYS167B, LYS189A, LYS189B, LYS202A, LYS202B, MET198A, MET198B, PHE169A, PHE169B, PHE84A, PHE88A, PHE88B, PRO192A, PRO192B, SER147A, SER147B, SER156A, SER156B, SER158A, SER158B, SER159A, SER159B, SER161A, SER161B, SER164A, SER164B, SER187A, SER187B, SER199A, SER199B, SER200A, SER200B, SER207A, SER207B, SER87A, SER87B, THR111A, THR111B, THR146A, THR146B, THR209A, THR209B, THR90A, THR90B, TYR151A, TYR151B, TYR160A, TYR160B, TYR168A, TYR168B, TYR184A, TYR184B, TYR194A, TYR194B, TYR214A, TYR214B, TYR220A, TYR220B, VAL170A, VAL170B, VAL190A, VAL190B, VAL191A, VAL191B, VAL211A, VAL211B
• A-C: ALA213A, ALA213C, ALA229A, ALA229C, ALA297A, ALA297C, ALA312A, ALA312C, ALA322A, ALA322C, ARG210A, ARG210C, ARG218A, ARG218C, ARG223A, ARG223C, ARG300A, ARG300C, ARG318A, ARG318C, ARG321A, ARG321C, ARG345A, ARG345C, ARG39A, ARG39C, ASN219A, ASN219C, ASN221A, ASN221C, ASN225A, ASN225C, ASN332A, ASN332C, ASN335A, ASN335C, ASN346C, ASP208A, ASP208C, ASP307A, ASP307C, ASP331A, ASP331C, ASP341A, ASP341C, ASP342A, ASP342C, GLN176A, GLN176C, GLN301A, GLN301C, GLN326A, GLN326C, GLU294A, GLU294C, GLU319A, GLU319C, GLU35A, GLU35C, GLY217A, GLY217C, GLY230A, GLY230C, GLY309A, GLY309C, GLY325A, GLY325C, GLY333A, GLY333C, HIS215A, HIS215C, ILE222A, ILE222C, ILE224A, ILE224C, ILE227A, ILE227C, ILE308A, ILE308C, ILE323A, ILE323C, ILE328A, ILE328C, ILE336A, ILE336C, LEU212A, LEU212C, LEU216A, LEU216C, LEU299A, LEU299C, LEU303A, LEU303C, LEU304A, LEU304C, LEU315A, LEU315C, LEU334A, LEU334C, LEU339A, LEU339C, LYS295A, LYS295C, LYS302A, LYS302C, LYS38A, LYS38C, MET337A, MET337C, PHE314A, PHE314C, PHE338A, PHE338C, PRO298A, PRO298C, PRO340A, PRO340C, SER177A, SER177C, SER178C, SER207A, SER207C, SER228A, SER228C, SER293A, SER293C, SER305A, SER305C, SER310A, SER310C, SER313A, SER313C, SER317A, SER317C, SER320A, SER320C, THR209A, THR209C, THR306A, THR306C, THR324A, THR324C, THR327A, THR327C, TYR214A, TYR214C, TYR220A, TYR220C, TYR28C, TYR292A, TYR292C, TYR296A, TYR296C, TYR329A, TYR329C, TYR344A, TYR344C, VAL211A, VAL211C, VAL311A, VAL311C, VAL330A, VAL330C
• A-D: ALA186A, ALA186D, ALA229A, ALA229D, ALA289A, ALA289D, ALA297A, ALA297D, ARG345A, ASN145A, ASN241A, ASN335A, ASN335D, ASP142A, ASP142D, ASP287A, ASP287D, ASP331A, ASP331D, ASP341A, ASP341D, ASP342A, ASP342D, GLN140A, GLN140D, GLN188A, GLN188D, GLU291A, GLU291D, GLY193A, GLY193D, GLY195A, GLY195D, GLY230A, GLY230D, GLY333A, GLY333D, HIS185A, HIS185D, ILE286D, ILE290A, ILE290D, ILE336A, ILE336D, ILE343A, ILE343D, LEU143A, LEU143D, LEU144D, LEU334A, LEU334D, LEU339A, LEU339D, LYS141A, LYS141D, LYS189A, LYS189D, MET337A, MET337D, PHE285A, PHE285D, PHE338A, PHE338D, PRO192A, PRO192D, PRO231A, PRO231D, PRO298A, PRO298D, PRO340A, PRO340D, SER187A, SER228A, SER293A, SER293D, THR284A, THR284D, TYR184A, TYR184D, TYR194A, TYR194D, TYR283A, TYR283D, TYR288A, TYR288D, TYR292A, TYR292D, TYR296A, TYR296D, TYR329A, TYR329D, TYR344A, TYR344D, VAL190A, VAL190D, VAL191A, VAL191D
• B-C: ALA186B, ALA186C, ALA229B, ALA229C, ALA289B, ALA289C, ALA297B, ALA297C, ARG345B, ARG345C, ASN145B, ASN145C, ASN241B, ASN241C, ASN335B, ASN335C, ASP142B, ASP142C, ASP287B, ASP287C, ASP331B, ASP331C, ASP341B, ASP341C, ASP342B, ASP342C, GLN140B, GLN140C, GLN188B, GLN188C, GLU291B, GLU291C, GLY193B, GLY193C, GLY195B, GLY195C, GLY230B, GLY230C, GLY333B, GLY333C, HIS185B, HIS185C, ILE240C, ILE286B, ILE286C, ILE290B, ILE290C, ILE336B, ILE336C, ILE343B, ILE343C, LEU143B, LEU143C, LEU144B, LEU144C, LEU334B, LEU334C, LEU339B, LEU339C, LYS141B, LYS141C, LYS189B, LYS189C, MET337B, MET337C, PHE285B, PHE285C, PHE338B, PHE338C, PRO192B, PRO192C, PRO231B, PRO231C, PRO298B, PRO298C, PRO340B, PRO340C, SER187C, SER228B, SER293B, SER293C, THR284B, THR284C, TYR184B, TYR184C, TYR194B, TYR194C, TYR283B, TYR283C, TYR288B, TYR288C, TYR292B, TYR292C, TYR296B, TYR296C, TYR329B, TYR329C, TYR344B, TYR344C, VAL139B, VAL139C, VAL190B, VAL190C, VAL191B, VAL191C
• B-D: ALA213B, ALA213D, ALA229B, ALA229D, ALA297B, ALA297D, ALA312B, ALA312D, ALA322B, ALA322D, ARG210B, ARG210D, ARG218B, ARG218D, ARG223B, ARG223D, ARG300B, ARG300D, ARG318B, ARG318D, ARG321B, ARG321D, ARG345B, ARG39D, ASN219B, ASN219D, ASN221B, ASN221D, ASN225B, ASN225D, ASN332B, ASN332D, ASN335B, ASN335D, ASP208B, ASP208D, ASP307B, ASP307D, ASP331B, ASP331D, ASP341B, ASP341D, ASP342B, ASP342D, GLN176B, GLN176D, GLN301B, GLN301D, GLN326B, GLN326D, GLU206B, GLU294B, GLU294D, GLU319B, GLU319D, GLU35B, GLU35D, GLY217B, GLY217D, GLY230B, GLY230D, GLY309B, GLY309D, GLY325B, GLY325D, GLY333B, GLY333D, HIS215B, HIS215D, ILE222B, ILE222D, ILE224B, ILE224D, ILE227B, ILE227D, ILE308B, ILE308D, ILE323B, ILE323D, ILE328B, ILE328D, ILE336B, ILE336D, LEU212B, LEU212D, LEU216B, LEU216D, LEU299B, LEU299D, LEU303B, LEU303D, LEU304B, LEU304D, LEU315B, LEU315D, LEU334B, LEU334D, LEU339B, LEU339D, LYS295B, LYS295D, LYS302B, LYS302D, LYS38B, LYS38D, MET337B, MET337D, PHE314B, PHE314D, PHE338B, PHE338D, PRO298B, PRO298D, PRO340B, PRO340D, SER177B, SER177D, SER178D, SER207B, SER207D, SER228B, SER228D, SER293B, SER293D, SER305D, SER310B, SER310D, SER313B, SER313D, SER317B, SER317D, SER320B, SER320D, THR209B, THR209D, THR306B, THR306D, THR324B, THR324D, THR327B, THR327D, TYR214B, TYR214D, TYR220B, TYR220D, TYR292B, TYR292D, TYR296B, TYR296D, TYR329B, TYR329D, TYR344B, TYR344D, VAL211B, VAL211D, VAL311B, VAL311D, VAL330B, VAL330D
• C-D: ALA154C, ALA154D, ALA186C, ALA186D, ALA201C, ALA201D, ALA203C, ALA203D, ALA204C, ALA204D, ALA213C, ALA213D, ALA86C, ALA86D, ARG148C, ARG148D, ARG210C, ARG210D, ARG218C, ARG218D, ASN145C, ASN145D, ASN171C, ASN171D, ASN219C, ASN219D, ASN92D, ASP142C, ASP142D, ASP153C, ASP153D, ASP208C, ASP208D, ASP85C, ASP85D, ASP89C, ASP89D, ASP93C, ASP93D, CYS166C, CYS166D, GLN188C, GLN188D, GLN326C, GLN326D, GLU138C, GLU138D, GLU206C, GLU206D, GLY150C, GLY150D, GLY193C, GLY193D, GLY195C, GLY195D, GLY196C, GLY196D, GLY197C, GLY197D, GLY217C, GLY217D, GLY325C, GLY325D, HIS131C, HIS131D, HIS185C, HIS185D, HIS215C, HIS215D, ILE112C, ILE112D, ILE163C, ILE163D, ILE179C, ILE179D, ILE222C, ILE222D, ILE224C, ILE224D, LEU133C, LEU133D, LEU143C, LEU143D, LEU144C, LEU144D, LEU152C, LEU152D, LEU155C, LEU155D, LEU162C, LEU162D, LEU165C, LEU165D, LEU205C, LEU205D, LEU212C, LEU212D, LEU216C, LEU216D, LYS141C, LYS141D, LYS149C, LYS149D, LYS157C, LYS157D, LYS167C, LYS167D, LYS189C, LYS189D, LYS202C, LYS202D, MET198C, MET198D, PHE169C, PHE169D, PHE84C, PHE88C, PHE88D, PRO192C, PRO192D, SER147C, SER147D, SER156C, SER156D, SER158C, SER158D, SER159C, SER159D, SER161C, SER161D, SER164C, SER164D, SER187C, SER187D, SER199C, SER199D, SER200C, SER200D, SER207C, SER207D, SER87C, SER87D, THR111C, THR111D, THR146C, THR146D, THR209C, THR209D, THR90C, THR90D, TYR151C, TYR151D, TYR160C, TYR160D, TYR168C, TYR168D, TYR194C, TYR194D, TYR214C, TYR214D, TYR220C, TYR220D, VAL170C, VAL170D, VAL190C, VAL190D, VAL191C, VAL191D, VAL211C, VAL211D