2GM8

tena homolog/thi-4 thiaminase complexed with product 4-amino-5- hydroxymethyl-2-methylpyrimidine

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 75
  • Norm. En. per Res.: -4.0699
• 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	-58.793	0.9889	-220.502	-278.3061	93	7	11	10555	4	12	11
A-C	-20.4153	-112.2445	-179.333	-311.9928	78	9	6	7418	8	19	15
A-D	0.0	-1.1099	-25.6502	-26.7601	23	0	0	1226	0	2	4
B-C	0.0	-3.8293	-30.1321	-33.9614	25	0	0	1356	0	2	4
B-D	-22.6479	-104.3495	-178.245	-305.2424	75	9	6	7376	7	20	18
C-D	-29.7677	2.0248	-195.182	-222.9248	90	7	11	9640	3	11	10

Interface residues

• A-B: ALA100A, ALA100B, ALA120A, ALA120B, ALA51A, ALA51B, ALA53A, ALA53B, ALA57A, ALA57B, ALA58A, ALA58B, ALA61A, ALA61B, ALA70A, ALA70B, ALA74A, ALA74B, ALA83A, ALA83B, ALA99A, ALA99B, ARG175A, ARG175B, ARG60A, ARG60B, ASN45A, ASN45B, ASN49A, ASN49B, ASP65A, ASP65B, CYS119A, CYS119B, GLU72A, GLU72B, GLU86A, GLU86B, GLY76A, GLY76B, LEU172B, LEU47A, LEU47B, LEU54A, LEU54B, LEU56A, LEU56B, LEU66A, LEU66B, LEU71A, LEU71B, LEU73A, LEU73B, LEU96A, LEU96B, LYS116A, LYS116B, LYS52A, LYS52B, LYS68A, LYS68B, MET67A, MET67B, MET82A, MET82B, PHE124B, PHE50A, PHE50B, PRO62A, PRO62B, SER55A, SER55B, SER59A, SER59B, SER63A, SER63B, THR69A, THR69B, THR77A, THR77B, THR79A, THR79B, TYR44A, TYR44B, TYR75A, TYR75B, TYR85B, VAL48A, VAL48B, VAL64A, VAL64B, VAL78A, VAL78B
• A-C: ALA113A, ALA113C, ALA120A, ALA120C, ALA197A, ALA197C, ALA53A, ALA53C, ARG106A, ARG106C, ARG9C, ASN105A, ASN105C, ASN108A, ASN108C, ASN49A, ASN49C, CYS119A, CYS119C, GLU103A, GLU103C, GLU122A, GLU122C, GLU196A, GLU196C, GLU201A, GLU201C, GLU203A, GLU203C, ILE13A, ILE13C, LEU115A, LEU115C, LEU121A, LEU121C, LEU199A, LEU199C, LEU202A, LEU202C, LEU56A, LEU56C, LYS116A, LYS116C, LYS195A, LYS195C, LYS52A, LYS52C, MET112A, MET112C, PHE204A, PHE204C, PRO104A, PRO104C, PRO192A, PRO192C, SER110A, SER110C, SER117A, SER117C, SER198A, SER198C, SER55A, THR118A, THR118C, TRP191A, TRP191C, TYR111A, TYR111C, TYR114A, TYR114C, TYR193A, TYR193C, TYR200A, TYR200C, VAL107A, VAL107C, VAL109A, VAL109C
• A-D: ALA120A, ALA120D, ALA57A, ALA58A, ALA58D, ALA61A, ALA61D, ARG60A, ARG60D, GLU122A, GLU122D, GLY123A, GLY123D, LEU121A, LEU121D, LEU56A, LEU56D, PRO62A, PRO62D, SER117D, SER59A, SER59D, THR118D
• B-C: ALA120B, ALA120C, ALA57B, ALA57C, ALA58B, ALA58C, ALA61B, ALA61C, ARG60B, ARG60C, CYS119C, GLU122B, GLU122C, GLY123B, GLY123C, LEU121B, LEU121C, LEU56B, LEU56C, PRO62B, PRO62C, SER117C, SER59B, SER59C, THR118B
• B-D: ALA113B, ALA113D, ALA120B, ALA120D, ALA197B, ALA197D, ALA53B, ALA53D, ARG106B, ARG106D, ASN105B, ASN105D, ASN108B, ASN108D, ASN49B, ASN49D, CYS119B, CYS119D, GLU103B, GLU103D, GLU122B, GLU122D, GLU196B, GLU196D, GLU201B, GLU201D, GLU203B, GLU203D, ILE13B, ILE13D, LEU115B, LEU115D, LEU121B, LEU121D, LEU199B, LEU199D, LEU202B, LEU202D, LEU56B, LEU56D, LYS116B, LYS116D, LYS195B, LYS195D, LYS52B, LYS52D, MET112B, MET112D, PHE204B, PHE204D, PRO104B, PRO104D, PRO192B, PRO192D, SER110B, SER110D, SER117B, SER117D, SER198B, SER198D, THR118B, THR118D, TRP191B, TRP191D, TYR111B, TYR111D, TYR114B, TYR114D, TYR193D, TYR200B, TYR200D, VAL107B, VAL107D, VAL109B, VAL109D
• C-D: ALA100C, ALA100D, ALA120C, ALA120D, ALA51C, ALA51D, ALA53C, ALA53D, ALA57C, ALA57D, ALA58C, ALA58D, ALA61C, ALA61D, ALA70C, ALA70D, ALA74C, ALA74D, ALA83C, ALA83D, ALA99C, ALA99D, ARG175C, ARG60C, ARG60D, ASN45C, ASN45D, ASN49C, ASN49D, ASP65C, ASP65D, CYS119C, CYS119D, GLU72C, GLU72D, GLU86C, GLU86D, GLY76C, GLY76D, LEU47C, LEU47D, LEU54C, LEU54D, LEU56C, LEU56D, LEU66C, LEU66D, LEU71C, LEU71D, LEU73C, LEU73D, LEU96C, LEU96D, LYS116C, LYS116D, LYS52C, LYS52D, LYS68C, LYS68D, MET67C, MET67D, MET82C, MET82D, PHE124C, PHE50C, PHE50D, PRO62C, PRO62D, SER55C, SER55D, SER59C, SER59D, SER63C, SER63D, THR69C, THR69D, THR77C, THR77D, THR79C, THR79D, TYR44C, TYR44D, TYR75C, TYR75D, VAL48C, VAL48D, VAL64C, VAL64D, VAL78C, VAL78D