2AA3

crystal structure of plasmodium vivax lactate dehydrogenase complex with apadh

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 190
  • Norm. En. per Res.: -3.5299
• 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	-79.6887	1.3983	387.481	309.1906	143	58	13	12292	0	28	31
A-C	-61.2128	4.6539	-587.028	-643.5869	190	16	7	23881	0	14	19
A-D	-29.108	13.2858	-120.905	-136.7272	73	4	0	6041	0	26	20
B-C	-18.2918	13.7022	-134.501	-139.0906	75	4	0	6347	0	26	20
B-D	-67.0135	3.8392	-607.498	-670.6724	190	15	8	24680	0	14	20
C-D	-90.184	1.8611	-275.488	-363.8109	120	12	13	11723	0	28	31

Interface residues

• A-B: ALA189A, ALA189B, ARG109A, ARG185A, ARG185B, ARG204A, ARG204B, ASN116A, ASN117A, ASN140A, ASN181A, ASN181B, ASN188A, ASN188B, ASN214A, ASN214B, ASN215A, ASN215B, ASP110A, ASP111A, ASP186A, ASP186B, ASP264A, ASP264B, CYS183A, CYS183B, GLN178A, GLN178B, GLN210A, GLN210B, GLN301A, GLN301B, GLN306A, GLN306B, GLU211A, GLU211B, GLU256A, GLU256B, GLU299A, GLU299B, GLU304A, GLU304B, GLY209A, GLY209B, GLY294A, GLY294B, ILE206A, ILE206B, ILE209A, ILE209B, ILE213A, ILE213B, ILE265A, ILE265B, ILE293A, ILE293B, ILE303A, ILE303B, ILE329A, LEU112A, LEU113A, LEU115A, LEU148A, LEU180A, LEU180B, LEU190A, LEU190B, LEU202A, LEU202B, LEU210A, LEU210B, LEU269A, LEU269B, LEU291A, LEU291B, LEU305A, LEU305B, LEU307A, LEU307B, LEU328A, LYS118A, LYS173A, LYS173B, LYS179A, LYS179B, LYS216A, LYS216B, LYS218A, LYS218B, LYS266A, LYS266B, LYS267A, LYS267B, LYS326A, MET145A, MET325A, MET72A, MET72B, PHE212A, PHE212B, PRO114A, PRO141A, PRO184A, PRO184B, PRO209A, PRO209B, PRO290A, PRO290B, SER177A, SER177B, SER260A, SER260B, THR139A, THR207A, THR207B, THR289A, THR289B, TYR205A, TYR205B, TYR279A, TYR279B, TYR73A, TYR73B, TYR7B, VAL144A, VAL182A, VAL182B, VAL187A, VAL187B, VAL192A, VAL192B, VAL208A, VAL208B, VAL268A, VAL268B, VAL270A, VAL270B, VAL292A, VAL292B, VAL302A, VAL302B, VAL71A, VAL71B
• A-C: ALA189A, ALA189C, ALA236A, ALA236C, ALA244A, ALA244C, ALA249A, ALA249C, ALA251A, ALA251C, ALA252A, ALA252C, ALA253A, ALA253C, ALA37A, ALA37C, ALA63A, ALA63C, ALA73A, ALA73C, ARG171A, ARG171C, ARG185A, ARG185C, ARG231A, ARG231C, ASN181A, ASN181C, ASN188A, ASN188C, ASN234A, ASN234C, ASN241A, ASN241C, ASN44A, ASN44C, ASN57A, ASN57C, ASN70A, ASN70C, ASN75A, ASN75C, ASN83A, ASP168A, ASP168C, ASP186A, ASP186C, ASP47A, ASP47C, ASP65A, ASP65C, CYS183A, CYS183C, CYS76A, CYS76C, GLN178A, GLN178C, GLN42A, GLN42C, GLN60A, GLN60C, GLU238A, GLU238C, GLU256A, GLU256C, GLU259A, GLU259C, GLY209A, GLY209C, GLY29A, GLY29C, GLY33A, GLY33C, GLY61A, GLY61C, GLY80A, GLY80C, HIS68A, HIS68C, ILE239A, ILE239C, ILE254A, ILE254C, ILE255A, ILE255C, ILE31A, ILE31C, LEU163A, LEU163C, LEU167A, LEU167C, LEU172A, LEU172C, LEU237A, LEU237C, LEU242A, LEU242C, LEU243A, LEU243C, LEU269A, LEU269C, LEU39A, LEU39C, LEU64A, LEU64C, LYS173A, LYS173C, LYS267A, LYS267C, LYS43A, LYS43C, LYS56A, LYS56C, LYS62A, LYS62C, LYS77A, LYS77C, MET257A, MET257C, MET30A, MET30C, MET36A, MET36C, MET51A, MET51C, MET58A, MET58C, MET72A, MET72C, PRO184A, PRO184C, PRO246A, PRO246C, PRO250A, PRO250C, PRO59A, PRO59C, SER170A, SER170C, SER177A, SER177C, SER245A, SER245C, SER28C, SER67A, SER67C, SER69A, SER69C, SER74A, SER74C, THR169A, THR169C, THR232A, THR232C, THR235A, THR235C, THR38A, THR38C, THR66A, THR66C, THR79A, THR79C, TYR174A, TYR174C, TYR175A, TYR175C, TYR247A, TYR247C, TYR73A, TYR73C, VAL166A, VAL166C, VAL182A, VAL182C, VAL187A, VAL187C, VAL240A, VAL240C, VAL248A, VAL248C, VAL35A, VAL35C, VAL41A, VAL41C, VAL55A, VAL55C, VAL71A, VAL71C, VAL78A, VAL78C
• A-D: ALA258D, ARG185A, ARG185D, ASN44A, ASN44D, ASN75A, ASN75D, ASP264A, ASP264D, ASP47A, ASP47D, ASP92D, CYS76A, CYS76D, GLU256A, GLU256D, GLU259A, GLU259D, GLU299A, GLU299D, GLY294A, GLY294D, GLY295A, GLY295D, GLY297D, GLY46A, GLY46D, ILE265A, ILE265D, ILE293D, LEU262A, LEU262D, LEU269A, LEU269D, LEU45A, LEU45D, LYS173A, LYS173D, LYS20A, LYS20D, LYS22D, LYS263A, LYS263D, LYS266A, LYS266D, LYS267A, LYS267D, LYS43A, LYS43D, LYS77A, LYS77D, PHE134D, PRO19A, PRO19D, PRO21A, PRO21D, SER260A, SER260D, SER74A, SER74D, THR18A, THR18D, THR296A, THR296D, TYR261A, TYR261D, TYR73A, TYR73D, VAL268A, VAL268D, VAL292A, VAL292D, VAL93D
• B-C: ALA258B, ARG185B, ARG185C, ASN188B, ASN188C, ASN44B, ASN44C, ASN75B, ASN75C, ASP264B, ASP264C, ASP47B, ASP47C, ASP92B, ASP92C, CYS76B, CYS76C, GLU256B, GLU256C, GLU259B, GLU259C, GLU299B, GLU299C, GLY294B, GLY294C, GLY295B, GLY295C, GLY297B, GLY297C, GLY46B, GLY46C, ILE265B, ILE265C, ILE293B, LEU262B, LEU262C, LEU269B, LEU269C, LEU45B, LEU45C, LYS159B, LYS20B, LYS20C, LYS263B, LYS263C, LYS266B, LYS266C, LYS267B, LYS267C, LYS43B, LYS43C, LYS77B, LYS77C, PHE134B, PRO19B, PRO19C, PRO21B, PRO21C, SER260B, SER260C, SER74B, SER74C, THR18B, THR18C, THR296B, THR296C, TYR261B, TYR261C, TYR73B, TYR73C, VAL268B, VAL268C, VAL292B, VAL292C, VAL93B
• B-D: ALA189B, ALA189D, ALA236B, ALA236D, ALA244B, ALA244D, ALA249B, ALA249D, ALA251B, ALA251D, ALA252B, ALA252D, ALA253B, ALA253D, ALA37B, ALA37D, ALA63B, ALA63D, ALA73B, ALA73D, ARG171B, ARG171D, ARG185B, ARG185D, ARG231B, ARG231D, ASN181B, ASN181D, ASN188B, ASN188D, ASN234B, ASN234D, ASN241B, ASN241D, ASN44B, ASN44D, ASN57B, ASN57D, ASN70B, ASN70D, ASN75B, ASN75D, ASN83D, ASP168B, ASP168D, ASP186B, ASP186D, ASP47B, ASP47D, ASP65B, ASP65D, CYS183B, CYS183D, CYS76B, CYS76D, GLN178B, GLN178D, GLN42B, GLN42D, GLN60B, GLN60D, GLU238B, GLU238D, GLU256B, GLU256D, GLU259B, GLU259D, GLY209B, GLY209D, GLY29B, GLY29D, GLY32B, GLY33B, GLY33D, GLY61B, GLY61D, GLY80B, GLY80D, HIS68B, HIS68D, ILE239B, ILE239D, ILE254B, ILE254D, ILE255B, ILE255D, ILE31B, ILE31D, LEU163B, LEU163D, LEU167B, LEU167D, LEU172B, LEU172D, LEU237B, LEU237D, LEU242B, LEU242D, LEU243B, LEU243D, LEU269B, LEU269D, LEU39B, LEU39D, LEU64B, LEU64D, LYS173B, LYS173D, LYS267B, LYS267D, LYS43B, LYS43D, LYS56B, LYS56D, LYS62B, LYS62D, LYS77B, LYS77D, MET257B, MET257D, MET30B, MET30D, MET36B, MET36D, MET51B, MET51D, MET58B, MET58D, MET72B, MET72D, PRO184B, PRO184D, PRO246B, PRO246D, PRO250B, PRO250D, PRO59B, PRO59D, SER170B, SER170D, SER177B, SER177D, SER245B, SER245D, SER67B, SER67D, SER69B, SER69D, SER74B, SER74D, THR169B, THR169D, THR232B, THR232D, THR235B, THR235D, THR38B, THR38D, THR66B, THR66D, THR79B, THR79D, TYR174B, TYR174D, TYR175B, TYR175D, TYR247B, TYR247D, TYR73B, TYR73D, VAL166B, VAL166D, VAL182B, VAL182D, VAL187B, VAL187D, VAL240B, VAL240D, VAL248B, VAL248D, VAL35B, VAL35D, VAL41B, VAL41D, VAL55B, VAL55D, VAL71B, VAL71D, VAL78B, VAL78D
• C-D: ALA189C, ALA189D, ARG185C, ARG185D, ARG204C, ARG204D, ASN181C, ASN181D, ASN188C, ASN188D, ASN214C, ASN214D, ASN215C, ASN215D, ASP186C, ASP186D, ASP264C, ASP264D, CYS183C, CYS183D, GLN178C, GLN178D, GLN210C, GLN210D, GLN301C, GLN301D, GLN306C, GLN306D, GLU211C, GLU211D, GLU256C, GLU256D, GLU299C, GLU299D, GLU304C, GLU304D, GLY209C, GLY209D, GLY294C, GLY294D, ILE206C, ILE206D, ILE209C, ILE209D, ILE213C, ILE213D, ILE265C, ILE265D, ILE293C, ILE293D, ILE303C, ILE303D, LEU180C, LEU180D, LEU190C, LEU190D, LEU202C, LEU202D, LEU210C, LEU210D, LEU269C, LEU269D, LEU291C, LEU291D, LEU305C, LEU305D, LEU307C, LEU307D, LYS173C, LYS173D, LYS179C, LYS179D, LYS216C, LYS216D, LYS218C, LYS218D, LYS266C, LYS266D, LYS267C, LYS267D, MET72C, PHE212C, PHE212D, PRO184C, PRO184D, PRO209C, PRO209D, PRO290C, PRO290D, SER177C, SER177D, SER260C, SER260D, THR207C, THR207D, THR289C, THR289D, TYR205C, TYR205D, TYR279C, TYR279D, TYR73C, TYR73D, VAL182C, VAL182D, VAL187C, VAL187D, VAL192C, VAL192D, VAL208C, VAL208D, VAL268C, VAL268D, VAL270C, VAL270D, VAL292C, VAL292D, VAL302C, VAL302D, VAL71C