2FJK

crystal structure of fructose-1,6-bisphosphate aldolase in thermus caldophilus

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 162
  • Norm. En. per Res.: -4.3365
• 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	-127.3836	-106.89	-468.237	-702.5106	162	47	8	18920	9	53	47
A-C	0.0	0.0	-17.0	-17.0	23	0	0	916	2	4	3
A-D	-7.835	4.8454	-138.789	-141.7786	69	5	7	6397	0	16	16
B-C	-8.2443	10.8686	-153.882	-151.2577	71	6	7	6832	0	17	17
B-D	-15.7817	0.0	-18.7822	-34.5639	22	1	0	898	6	4	4
C-D	-87.219	-77.697	-479.914	-644.83	161	53	6	19046	8	55	44

Interface residues

• A-B: ALA180A, ALA180B, ALA224A, ALA224B, ALA231A, ALA231B, ALA259A, ALA259B, ALA262A, ALA262B, ALA284A, ALA284B, ALA52A, ALA52B, ALA59A, ALA59B, ALA66A, ALA66B, ALA68B, ALA71A, ALA71B, ARG222A, ARG222B, ARG257A, ARG257B, ARG265A, ARG265B, ARG278A, ARG278B, ARG285A, ARG285B, ARG58A, ARG58B, ARG62A, ARG62B, ARG72A, ARG72B, ASN23A, ASN23B, ASN25A, ASN25B, ASN26A, ASN26B, ASN271A, ASN271B, ASP253A, ASP253B, ASP255A, ASP255B, ASP276A, ASP276B, GLN31A, GLN31B, GLN69A, GLN69B, GLU227A, GLU227B, GLU266A, GLU266B, GLU274A, GLU274B, GLU286A, GLU286B, GLU28A, GLU28B, GLU35A, GLU35B, GLU38A, GLU38B, GLU50A, GLU50B, GLU70A, GLU70B, GLY179A, GLY179B, GLY225A, GLY225B, GLY226A, GLY226B, GLY229A, GLY229B, GLY269A, GLY269B, GLY282A, GLY282B, GLY51A, GLY51B, GLY56A, GLY56B, GLY57A, GLY57B, ILE228A, ILE228B, LEU217A, LEU256A, LEU256B, LEU258A, LEU258B, LEU263A, LEU263B, LEU268A, LEU268B, LEU281A, LEU281B, LEU34A, LEU34B, LEU48A, LEU48B, LEU60A, LEU60B, LEU67A, LEU67B, LYS270A, LYS270B, LYS273A, LYS273B, LYS279A, LYS279B, LYS54A, LYS54B, PHE221A, PHE221B, PHE260A, PHE260B, PHE275A, PHE275B, PHE29A, PHE29B, PRO272A, PRO272B, PRO277A, PRO277B, PRO283A, PRO283B, SER49A, SER49B, THR24A, THR24B, THR254A, THR254B, THR261A, THR261B, THR267A, THR267B, THR30A, THR30B, THR61A, THR61B, TYR181A, TYR181B, TYR280A, TYR280B, TYR55A, TYR55B, VAL213A, VAL213B, VAL264A, VAL264B, VAL288A, VAL288B, VAL64A, VAL64B
• A-C: ALA66A, ALA66C, ALA68A, ARG72A, ARG72C, GLN69A, GLN69C, GLU70A, GLU70C, GLU7C, GLY5A, LEU2A, LEU2C, LEU67A, PRO74A, PRO74C, THR4A, THR4C, THR97A, VAL3A, VAL3C, VAL65A, VAL75A
• A-D: ALA121A, ALA121D, ALA122A, ALA122D, ALA124A, ALA124D, ALA91A, ALA91D, ARG117A, ARG117D, ARG58A, ARG58D, ARG62A, ARG62D, ARG93A, ARG93D, GLN69A, GLN69D, GLU120A, GLU120D, GLU86A, GLU86D, GLU94A, GLU94D, GLY126A, GLY126D, GLY95A, GLY95D, HIS123A, HIS123D, LEU2A, LEU2D, LEU89A, LEU89D, LEU92A, LEU92D, LYS90A, LYS90D, PHE96A, PHE96D, SER84A, SER84D, SER87A, SER87D, SER98A, SER98D, THR128A, THR128D, THR4A, THR4D, THR97A, THR97D, TYR85A, TYR85D, VAL118A, VAL118D, VAL119A, VAL125A, VAL125D, VAL127A, VAL127D, VAL65A, VAL65D, VAL77A, VAL77D, VAL88A, VAL88D, VAL99A, VAL99D
• B-C: ALA121B, ALA121C, ALA122B, ALA122C, ALA124B, ALA124C, ALA66B, ALA91B, ALA91C, ARG117B, ARG117C, ARG58B, ARG58C, ARG62B, ARG62C, ARG93B, ARG93C, GLN69B, GLN69C, GLU120B, GLU120C, GLU86B, GLU86C, GLU94B, GLU94C, GLY126B, GLY126C, GLY95B, GLY95C, HIS123B, HIS123C, LEU2B, LEU2C, LEU89B, LEU89C, LEU92B, LEU92C, LYS116C, LYS90B, LYS90C, PHE96B, PHE96C, SER84B, SER84C, SER87B, SER87C, SER98B, SER98C, THR128B, THR128C, THR4B, THR4C, THR97B, THR97C, TYR85B, TYR85C, VAL118B, VAL118C, VAL125B, VAL125C, VAL127B, VAL127C, VAL3C, VAL65B, VAL65C, VAL77B, VAL77C, VAL88B, VAL88C, VAL99B, VAL99C
• B-D: ALA66B, ALA66D, ARG72B, ARG72D, GLN69B, GLN69D, GLU70B, GLU70D, GLU7B, GLU7D, ILE8B, LEU2B, LEU2D, LYS11B, LYS11D, PRO74B, PRO74D, THR4B, THR4D, VAL3B, VAL3D, VAL65D
• C-D: ALA180C, ALA180D, ALA224D, ALA231C, ALA231D, ALA259C, ALA259D, ALA262C, ALA262D, ALA284C, ALA284D, ALA52C, ALA52D, ALA59C, ALA59D, ALA66C, ALA66D, ALA68C, ALA71C, ALA71D, ARG222C, ARG222D, ARG257C, ARG257D, ARG265C, ARG265D, ARG278C, ARG278D, ARG285C, ARG285D, ARG58C, ARG58D, ARG62C, ARG62D, ARG72C, ARG72D, ASN23C, ASN23D, ASN25C, ASN25D, ASN26C, ASN26D, ASN271C, ASN271D, ASP253C, ASP253D, ASP255C, ASP255D, ASP276C, ASP276D, GLN31C, GLN31D, GLN69C, GLN69D, GLU227C, GLU227D, GLU266C, GLU266D, GLU274C, GLU274D, GLU286C, GLU286D, GLU28C, GLU28D, GLU35C, GLU35D, GLU38C, GLU50C, GLU50D, GLU70C, GLU70D, GLY179C, GLY179D, GLY225C, GLY225D, GLY226C, GLY226D, GLY229C, GLY229D, GLY269C, GLY269D, GLY282C, GLY282D, GLY51C, GLY51D, GLY56C, GLY56D, GLY57C, GLY57D, ILE228C, ILE228D, LEU256C, LEU256D, LEU258C, LEU258D, LEU263C, LEU263D, LEU268C, LEU268D, LEU281C, LEU281D, LEU34C, LEU34D, LEU48C, LEU48D, LEU60C, LEU60D, LEU67C, LEU67D, LYS270C, LYS270D, LYS273C, LYS273D, LYS279C, LYS279D, LYS54C, LYS54D, PHE221C, PHE221D, PHE260C, PHE260D, PHE275C, PHE275D, PHE29C, PHE29D, PRO272C, PRO272D, PRO277C, PRO277D, PRO283C, PRO283D, SER49C, SER49D, THR24C, THR24D, THR254C, THR254D, THR261C, THR261D, THR267C, THR267D, THR30C, THR30D, THR61C, THR61D, TYR181C, TYR181D, TYR280C, TYR280D, TYR55C, TYR55D, VAL213C, VAL213D, VAL264C, VAL264D, VAL288C, VAL288D, VAL64C, VAL64D, VAL65C, VAL65D