1PZH

t.gondii ldh1 ternary complex with nad and oxalate

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 189
  • Norm. En. per Res.: -4.5144
• 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	-102.3564	-40.382	-266.533	-409.2713	103	11	7	9967	4	43	30
A-C	-98.4154	-53.1135	-695.651	-847.1799	191	24	21	25942	4	54	43
A-D	-78.7944	10.0009	-371.094	-439.8875	127	18	12	15359	3	39	44
B-C	-66.7006	-7.4085	-368.966	-443.0751	128	16	12	15365	5	40	44
B-D	-102.1609	-52.009	-699.051	-853.2209	189	18	21	25704	3	54	43
C-D	-98.6969	-47.0143	-265.548	-411.2592	102	12	7	9900	4	44	32

Interface residues

• A-B: ALA15A, ALA15B, ALA258A, ALA258B, ALA296A, ALA296B, ALA46A, ALA46B, ALA91A, ALA91B, ARG185A, ARG185B, ARG19A, ARG19B, ARG20A, ARG20B, ARG267A, ARG267B, ARG301A, ARG43A, ARG43B, ASN158A, ASN158B, ASN263A, ASN263B, ASN75A, ASN75B, ASP186A, ASP186B, ASP264A, ASP264B, ASP47A, ASP47B, ASP73A, ASP73B, ASP92A, ASP92B, CYS93A, CYS93B, GLN18A, GLN18B, GLU265A, GLU265B, GLU299A, GLU299B, GLU44A, GLU44B, GLY294A, GLY294B, GLY295A, GLY295B, GLY297A, GLY297B, GLY90A, GLY90B, ILE298A, ILE298B, LEU16A, LEU16B, LEU262A, LEU262B, LEU45A, LEU45B, LYS132A, LYS132B, LYS21A, LYS21B, LYS22A, LYS22B, LYS266A, LYS266B, MET159A, MET159B, PHE134A, PHE134B, PHE261A, PHE261B, PRO14A, PRO14B, PRO156A, PRO156B, SER260A, SER260B, SER71A, SER71B, THR133A, THR133B, THR157A, THR259A, THR259B, THR74A, THR74B, VAL17A, VAL17B, VAL23B, VAL292A, VAL292B, VAL72A, VAL72B, VAL73A, VAL73B, VAL76A, VAL76B
• A-C: ALA177A, ALA177C, ALA189A, ALA189C, ALA246A, ALA246C, ALA249A, ALA249C, ALA251A, ALA251C, ALA252A, ALA252C, ALA254A, ALA254C, ALA256A, ALA256C, ALA41A, ALA41C, ALA63A, ALA63C, ARG171A, ARG171C, ARG173A, ARG173C, ARG174A, ARG174C, ARG185A, ARG185C, ARG20A, ARG20C, ARG241A, ARG241C, ARG267A, ARG267C, ARG43A, ARG43C, ASN75A, ASN75C, ASP168A, ASP168C, ASP178A, ASP178C, ASP186A, ASP186C, ASP65A, ASP65C, ASP73A, ASP73C, CYS165A, CYS165C, CYS40A, GLN188A, GLN188C, GLN243A, GLN243C, GLU238A, GLU238C, GLU44A, GLU44C, GLU60A, GLU60C, GLY170A, GLY170C, GLY236A, GLY236C, GLY242A, GLY242C, GLY29A, GLY29C, GLY32A, GLY32C, GLY33A, GLY33C, GLY37A, GLY37C, GLY57A, GLY57C, GLY61A, GLY61C, HIS231A, HIS231C, HIS68A, HIS68C, ILE239A, ILE239C, ILE269A, ILE269C, ILE31A, ILE31C, LEU167A, LEU167C, LEU242A, LEU242C, LEU39A, LEU39C, LEU42A, LEU42C, LEU51A, LEU51C, LEU64A, LEU64C, LEU66A, LEU66C, LYS56A, LYS56C, LYS62A, LYS62C, MET163A, MET163C, MET166A, MET166C, MET257A, MET257C, MET30A, MET30C, MET36A, MET36C, MET58A, MET58C, PHE172A, PHE172C, PHE242A, PHE242C, PRO184A, PRO184C, PRO250A, PRO250C, PRO59A, PRO59C, SER169A, SER169C, SER181A, SER181C, SER183A, SER183C, SER235A, SER235C, SER245A, SER245C, SER253A, SER253C, SER28A, SER28C, SER67A, SER67C, SER71A, SER71C, SER77A, SER77C, THR232A, THR232C, THR35A, THR35C, THR70A, THR70C, THR74A, THR74C, TYR175A, TYR175C, TYR247A, TYR247C, TYR248A, TYR248C, TYR38A, TYR38C, TYR83A, TYR83C, VAL176A, VAL176C, VAL182A, VAL182C, VAL187A, VAL187C, VAL234A, VAL234C, VAL240A, VAL240C, VAL255A, VAL255C, VAL55A, VAL55C, VAL69A, VAL69C, VAL72A, VAL72C, VAL73A, VAL73C, VAL76A, VAL76C, VAL78A, VAL78C
• A-D: ALA177A, ALA177D, ALA179A, ALA179D, ALA189A, ALA189D, ALA291A, ALA291D, ARG173A, ARG173D, ARG174A, ARG174D, ARG185A, ARG185D, ARG204A, ARG204D, ARG267A, ARG267D, ARG301A, ARG301D, ASN209A, ASN209D, ASP178A, ASP178D, ASP186A, ASP186D, ASP215A, ASP215D, ASP264A, ASP264D, ASP73A, ASP73D, CYS165A, CYS165D, CYS271D, GLN188A, GLN188D, GLN210D, GLU265A, GLU265D, GLU278A, GLU299A, GLU299D, GLU304A, GLU304D, GLU306A, GLU306D, GLY209A, GLY209D, GLY216A, GLY216D, GLY294A, GLY294D, ILE192A, ILE192D, ILE206A, ILE206D, ILE269A, ILE269D, ILE293A, ILE293D, ILE303A, ILE303D, LEU180A, LEU180D, LEU202A, LEU202D, LEU289A, LEU289D, LEU305A, LEU305D, LEU307A, LEU307D, LYS211A, LYS211D, LYS214A, LYS214D, LYS266A, LYS266D, MET166A, MET166D, PHE212A, PHE212D, PRO184A, PRO184D, PRO209A, PRO209D, PRO270A, PRO270D, PRO290A, PRO290D, SER169A, SER169D, SER181A, SER181D, SER183A, SER183D, SER260A, SER260D, THR190A, THR190D, THR207A, THR207D, TYR205A, TYR205D, TYR209A, TYR209D, TYR279A, TYR279D, VAL182A, VAL182D, VAL187A, VAL187D, VAL191A, VAL191D, VAL208A, VAL208D, VAL218A, VAL218D, VAL219A, VAL219D, VAL268A, VAL268D, VAL292A, VAL292D, VAL302A, VAL302D
• B-C: ALA177B, ALA177C, ALA179C, ALA189B, ALA189C, ALA291B, ALA291C, ARG173B, ARG173C, ARG174B, ARG174C, ARG185B, ARG185C, ARG204B, ARG204C, ARG267B, ARG267C, ARG301B, ARG301C, ASN209B, ASN209C, ASP178B, ASP178C, ASP186B, ASP186C, ASP215B, ASP215C, ASP264B, ASP264C, ASP73B, ASP73C, CYS165B, CYS165C, CYS271B, GLN188B, GLN188C, GLN210B, GLN210C, GLU265B, GLU265C, GLU278B, GLU299B, GLU299C, GLU304B, GLU304C, GLU306B, GLU306C, GLY209B, GLY209C, GLY216B, GLY216C, GLY294B, GLY294C, ILE192B, ILE192C, ILE206B, ILE206C, ILE213B, ILE269B, ILE269C, ILE293B, ILE293C, ILE303B, ILE303C, LEU180B, LEU180C, LEU202B, LEU202C, LEU289B, LEU289C, LEU305B, LEU305C, LEU307B, LEU307C, LYS211B, LYS211C, LYS214B, LYS214C, LYS266B, LYS266C, MET166B, MET166C, PHE212B, PHE212C, PRO184B, PRO184C, PRO209B, PRO209C, PRO270B, PRO270C, PRO290B, PRO290C, SER169B, SER169C, SER181B, SER181C, SER183B, SER183C, SER260B, SER260C, THR190B, THR190C, THR207B, THR207C, TYR205B, TYR205C, TYR209B, TYR209C, TYR279B, TYR279C, VAL182B, VAL182C, VAL187B, VAL187C, VAL191B, VAL191C, VAL208B, VAL208C, VAL218B, VAL218C, VAL219B, VAL219C, VAL268B, VAL268C, VAL292B, VAL292C, VAL302B, VAL302C
• B-D: ALA177B, ALA177D, ALA189B, ALA189D, ALA246B, ALA246D, ALA249B, ALA249D, ALA251B, ALA251D, ALA252B, ALA252D, ALA254B, ALA254D, ALA256B, ALA256D, ALA41B, ALA41D, ALA63B, ALA63D, ARG171B, ARG171D, ARG173B, ARG173D, ARG174B, ARG174D, ARG185B, ARG185D, ARG20B, ARG20D, ARG241B, ARG241D, ARG267B, ARG267D, ARG43B, ARG43D, ARG79B, ASN75B, ASN75D, ASP168B, ASP168D, ASP178B, ASP178D, ASP186B, ASP186D, ASP65B, ASP65D, ASP73B, ASP73D, CYS165B, CYS165D, GLN188B, GLN243B, GLN243D, GLU238B, GLU238D, GLU44B, GLU44D, GLU60B, GLU60D, GLY170B, GLY170D, GLY236B, GLY236D, GLY242B, GLY242D, GLY29B, GLY29D, GLY32B, GLY32D, GLY33B, GLY33D, GLY37B, GLY37D, GLY57B, GLY57D, GLY61B, GLY61D, HIS231B, HIS231D, HIS68B, HIS68D, ILE239B, ILE239D, ILE269B, ILE269D, ILE31B, ILE31D, LEU167B, LEU167D, LEU242B, LEU242D, LEU39B, LEU39D, LEU42B, LEU42D, LEU51B, LEU51D, LEU64B, LEU64D, LEU66B, LEU66D, LYS56B, LYS56D, LYS62B, LYS62D, MET163B, MET163D, MET166B, MET166D, MET257B, MET257D, MET30B, MET30D, MET36B, MET36D, MET58B, MET58D, PHE172B, PHE172D, PHE242B, PHE242D, PRO184B, PRO184D, PRO250B, PRO250D, PRO59B, PRO59D, SER169B, SER169D, SER181B, SER181D, SER183B, SER183D, SER235B, SER235D, SER245B, SER245D, SER253B, SER253D, SER28B, SER28D, SER67B, SER67D, SER71B, SER71D, SER77B, SER77D, THR232B, THR232D, THR35B, THR35D, THR70B, THR70D, THR74B, THR74D, TYR175B, TYR175D, TYR247B, TYR247D, TYR248B, TYR248D, TYR38B, TYR38D, TYR83B, VAL176B, VAL176D, VAL182B, VAL182D, VAL187B, VAL187D, VAL234B, VAL234D, VAL240B, VAL240D, VAL255B, VAL255D, VAL55B, VAL55D, VAL69B, VAL69D, VAL72B, VAL72D, VAL73B, VAL73D, VAL76B, VAL76D, VAL78B, VAL78D
• C-D: ALA15C, ALA15D, ALA258C, ALA258D, ALA296C, ALA296D, ALA46C, ALA46D, ALA91C, ALA91D, ARG185C, ARG185D, ARG19C, ARG19D, ARG20C, ARG20D, ARG267C, ARG267D, ARG301D, ARG43C, ARG43D, ASN158C, ASN158D, ASN263C, ASN263D, ASN75C, ASN75D, ASP186C, ASP186D, ASP264C, ASP264D, ASP47C, ASP47D, ASP73C, ASP73D, ASP92C, ASP92D, CYS93C, CYS93D, GLN18C, GLN18D, GLU265C, GLU265D, GLU299C, GLU299D, GLU44C, GLU44D, GLY294C, GLY294D, GLY295C, GLY295D, GLY297C, GLY297D, GLY90C, GLY90D, ILE298C, ILE298D, LEU16C, LEU16D, LEU262C, LEU262D, LEU45C, LEU45D, LYS132C, LYS132D, LYS21C, LYS21D, LYS22C, LYS22D, LYS266C, LYS266D, MET159C, MET159D, PHE134C, PHE134D, PHE261C, PHE261D, PRO14C, PRO14D, PRO156C, PRO156D, SER260C, SER260D, SER71C, SER71D, THR133C, THR133D, THR157C, THR259C, THR259D, THR74C, THR74D, VAL17C, VAL17D, VAL292C, VAL292D, VAL72C, VAL72D, VAL73C, VAL73D, VAL76C, VAL76D