3E4D

structural and kinetic study of an s-formylglutathione hydrolase from agrobacterium tumefaciens

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 87
  • Norm. En. per Res.: -3.7939
• 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	-27.1221	-35.251	-267.696	-330.0691	87	13	2	9194	2	22	28
A-C	-23.6524	-2.7687	-95.4078	-121.8289	61	7	3	3780	2	40	43
A-F	0.0	-14.2085	-3.8713	-18.0798	15	0	0	333	1	17	18
C-E	0.0	2.0781	-71.249	-69.1709	51	2	2	3238	0	5	10
C-D	-22.3774	-27.6511	-264.683	-314.7115	90	14	2	9047	2	22	28
C-F	0.0	0.0	-0.6899	-0.6899	11	0	0	124	0	5	5
E-D	0.0	0.0	-0.6318	-0.6318	10	0	0	153	0	6	5
E-F	-26.6224	-31.2656	-256.307	-314.1949	89	12	2	9123	2	22	28

Interface residues

• A-B: ALA222A, ALA222B, ALA31A, ALA31B, ALA57A, ALA57B, ALA9A, ALA9B, ARG253A, ARG253B, ARG66A, ARG66B, ARG67A, ARG67B, ASN58A, ASN58B, ASN7A, ASN7B, ASP252A, ASP252B, ASP255A, ASP255B, ASP266A, ASP266B, ASP267A, ASP267B, GLN14A, GLN14B, GLN6A, GLN6B, GLU61A, GLU61B, GLU64A, GLU64B, GLY11A, GLY11B, GLY12A, GLY12B, GLY15A, GLY15B, GLY63A, GLY63B, HIS251A, HIS251B, HIS256A, HIS256B, HIS56A, HIS56B, ILE261A, ILE261B, ILE39A, ILE39B, LYS62A, LYS62B, PHE10A, PHE10B, PHE260A, PHE260B, PHE264A, PHE264B, PRO36A, PRO36B, SER257A, SER257B, SER262A, SER262B, SER5A, SER5B, SER70B, THR263A, THR263B, THR8A, THR8B, TYR254A, TYR254B, TYR258A, TYR258B, TYR259A, TYR259B, TYR33A, TYR33B, TYR65A, TYR65B, VAL16A, VAL16B, VAL34A, VAL59A
• A-C: ALA157C, ALA195A, ALA195C, ALA196A, ALA196C, ALA210A, ALA210C, ARG163C, ARG194A, ARG194C, ARG198A, ARG198C, ARG199A, ARG199C, ARG211A, ARG211C, ASN160A, ASN160C, ASP193A, ASP193C, ASP208A, ASP208C, ASP243A, ASP243C, GLU109C, GLU124C, GLU162A, GLU162C, GLU207A, GLU207C, GLY191C, GLY209A, GLY209C, GLY241A, GLY241C, ILE239A, ILE244A, LEU158A, LEU158C, LEU190C, LEU205A, LEU205C, LYS159A, LYS159C, LYS240A, PHE164C, PHE212A, PRO161A, PRO161C, SER204A, SER204C, THR108C, THR155C, THR242A, THR242C, TRP197A, TRP197C, TYR119C, TYR200C, VAL206A, VAL206C
• A-F: ARG194F, ARG198F, ASP252A, GLU183F, GLU207F, GLU227A, GLU227F, GLU237A, LEU234A, LYS221A, LYS228F, LYS240A, SER178F, TRP233A, TRP233F
• C-E: ALA38C, ALA38E, ARG135C, ARG135E, ASN2C, ASN2E, ASN7C, ASN7E, GLN132C, GLN132E, GLN20E, GLN6C, GLN6E, GLU41C, GLU41E, GLY0C, GLY0E, GLY11C, GLY11E, GLY12E, HIS133C, HIS133E, HIS19C, HIS19E, HIS40C, HIS40E, ILE39C, ILE39E, ILE3C, ILE3E, ILE4C, ILE4E, LEU129C, LEU129E, LYS37C, LYS37E, PHE134C, PHE134E, PHE17C, PHE17E, PHE30C, PRO36C, PRO36E, PRO42C, PRO42E, SER18C, SER18E, SER5C, SER5E, VAL16C, VAL16E
• C-D: ALA222C, ALA222D, ALA31C, ALA31D, ALA57C, ALA57D, ALA9C, ALA9D, ARG253C, ARG253D, ARG66C, ARG66D, ARG67C, ARG67D, ASN58C, ASN58D, ASN7C, ASN7D, ASP252C, ASP252D, ASP255C, ASP255D, ASP266C, ASP266D, ASP267C, ASP267D, GLN14C, GLN14D, GLN6C, GLN6D, GLU61C, GLU61D, GLU64C, GLU64D, GLU71C, GLY11C, GLY11D, GLY12C, GLY12D, GLY15C, GLY15D, GLY220D, GLY63C, GLY63D, HIS251C, HIS251D, HIS256C, HIS256D, HIS40C, HIS56C, HIS56D, ILE261C, ILE261D, ILE39C, ILE39D, LYS270C, LYS270D, LYS62C, LYS62D, PHE10C, PHE10D, PHE260C, PHE260D, PHE264C, PHE264D, PRO36C, PRO36D, SER257C, SER257D, SER262C, SER262D, SER5C, SER5D, SER70C, THR263C, THR263D, THR8C, THR8D, TYR254C, TYR254D, TYR258C, TYR258D, TYR259C, TYR259D, TYR33C, TYR33D, TYR65C, TYR65D, VAL16C, VAL16D
• C-F: ALA136C, ALA222F, ARG135C, ARG253F, ASP252F, ASP255F, GLN132C, GLY131C, PHE134C, PRO42C, SER224F
• E-D: ALA222D, ARG135E, ARG253D, ASP252D, ASP255D, GLN132E, GLY131E, PHE134E, PRO42E, SER224D
• E-F: ALA222E, ALA222F, ALA31E, ALA31F, ALA57E, ALA57F, ALA9E, ALA9F, ARG253E, ARG253F, ARG66E, ARG66F, ARG67E, ARG67F, ASN58E, ASN58F, ASN7E, ASN7F, ASP252E, ASP252F, ASP255E, ASP255F, ASP266E, ASP266F, ASP267E, ASP267F, GLN14E, GLN14F, GLN6E, GLN6F, GLU61E, GLU61F, GLU64E, GLU64F, GLY11E, GLY11F, GLY12E, GLY12F, GLY15E, GLY15F, GLY220F, GLY63E, GLY63F, HIS251E, HIS251F, HIS256E, HIS256F, HIS56E, HIS56F, ILE261E, ILE261F, ILE39E, ILE39F, LYS270E, LYS62E, LYS62F, PHE10E, PHE10F, PHE260E, PHE260F, PHE264E, PHE264F, PRO36E, PRO36F, SER257E, SER257F, SER262E, SER262F, SER5E, SER5F, SER70E, SER70F, THR263E, THR263F, THR8E, THR8F, TYR254E, TYR254F, TYR258E, TYR258F, TYR259E, TYR259F, TYR33E, TYR33F, TYR65E, TYR65F, VAL16E, VAL16F, VAL59F