3HDU

crystal structure of a putative thioesterase (syn_01977) from syntrophus aciditrophicus sb at 2.50 a resolution

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 138
  • Norm. En. per Res.: -3.3316
• Hub Node: A(2)

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	-84.1661	-7.8963	-367.692	-459.7543	138	10	15	15203	1	15	20
A-C	0.0	0.0	-0.016	-0.016	3	0	0	9	0	0	1
B-C	-21.2585	-17.7235	-52.9722	-91.9542	43	4	2	2569	1	12	8

Interface residues

• A-B: ALA147A, ALA147B, ALA14A, ALA14B, ALA55A, ALA55B, ALA68A, ALA68B, ALA95A, ALA95B, ARG111A, ARG111B, ARG48A, ARG48B, ARG57A, ARG57B, ARG58A, ARG58B, ARG99A, ARG99B, ASN26A, ASN26B, ASN54A, ASN54B, ASP49A, ASP49B, ASP70A, ASP70B, GLU108A, GLU108B, GLU17A, GLU17B, GLU20A, GLU20B, GLU21A, GLU21B, GLU50A, GLU50B, GLY113A, GLY113B, GLY149A, GLY149B, GLY53A, GLY53B, GLY62A, GLY62B, GLY63A, GLY63B, GLY74A, GLY74B, GLY98A, GLY98B, HIS106A, HIS106B, ILE154A, ILE154B, ILE18A, ILE18B, ILE23A, ILE23B, ILE28A, ILE28B, ILE29A, ILE29B, ILE52A, ILE52B, ILE56A, ILE56B, ILE65A, ILE65B, ILE69A, ILE69B, ILE97A, ILE97B, LEU100A, LEU100B, LEU105A, LEU105B, LEU110A, LEU110B, LEU155A, LEU155B, LEU31A, LEU31B, LEU51A, LEU51B, LEU60A, LEU60B, LEU75A, LEU75B, LEU94A, LEU94B, LYS22A, LYS22B, LYS27A, LYS27B, PHE19A, PHE19B, PHE25A, PHE25B, PHE78A, PHE78B, PRO112A, PRO112B, PRO24A, PRO24B, SER101A, SER101B, SER104A, SER104B, SER150A, SER150B, SER152A, SER152B, SER66A, SER66B, SER67A, SER67B, THR102A, THR102B, TYR109A, TYR109B, TYR153A, TYR153B, TYR61A, TYR61B, VAL107A, VAL107B, VAL148A, VAL148B, VAL151A, VAL151B, VAL156A, VAL156B, VAL15A, VAL15B, VAL64A, VAL64B
• A-C: HIS106A, HIS106C, SER104C
• B-C: ALA132C, ALA147B, ARG111B, ARG126C, ARG135B, ARG99C, ASN129C, ASN140B, ASP143B, GLN142B, GLN40B, GLU108B, GLU137B, GLU144B, GLY128C, GLY149B, HIS106C, ILE146B, ILE154C, LEU110B, LEU138B, LEU145B, LEU155C, LYS130C, LYS42B, LYS84C, PHE81C, SER101C, SER104C, SER150B, SER152C, THR121B, THR127C, THR136B, TYR123B, TYR153C, VAL119B, VAL125B, VAL125C, VAL131C, VAL133C, VAL148B, VAL156C