3R4Q

crystal structure of lactoylglutathione lyase from agrobacterium tumefaciens

• Total interactions analyzed: 10
• Total true interactions: 7
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 184
  • Norm. En. per Res.: -5.1263
• 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	-176.4502	40.6135	-807.403	-943.2397	184	36	16	27818	2	45	36
A-C	0.0	0.0	-3.2059	-3.2059	16	0	0	283	0	1	0
A-E	-40.9826	35.6555	-91.9052	-97.2323	40	8	2	3933	0	18	15
B-C	-40.7264	36.8706	-86.2865	-90.1423	39	4	2	3766	0	16	15
B-D	0.0	0.0	-2.4852	-2.4852	11	0	0	266	0	0	0
B-E	0.0	0.0	-0.6392	-0.6392	9	0	0	109	0	0	0
C-D	-142.2668	31.0239	-781.599	-892.8419	181	44	17	27357	2	48	38

Interface residues

• A-B: ALA139A, ALA13A, ALA13B, ALA74A, ALA74B, ALA84A, ALA84B, ALA8A, ALA8B, ARG109A, ARG109B, ARG120A, ARG120B, ARG27A, ARG27B, ARG49A, ARG49B, ARG71A, ARG71B, ARG96A, ARG96B, ASN125A, ASN125B, ASN141A, ASN66A, ASN66B, ASN67A, ASN67B, ASP85A, ASP85B, CYS47A, CYS47B, CYS81A, CYS81B, GLN50A, GLN50B, GLN77A, GLN77B, GLU105A, GLU105B, GLU11A, GLU11B, GLU128A, GLU128B, GLU131A, GLU131B, GLU138A, GLU138B, GLU140A, GLU33A, GLU33B, GLU89A, GLU89B, GLU92B, GLY124A, GLY124B, GLY130A, GLY130B, GLY132A, GLY132B, GLY136A, GLY136B, GLY31A, GLY31B, GLY48A, GLY48B, GLY73A, GLY73B, GLY76A, GLY76B, GLY78A, GLY78B, HIS106A, HIS106B, HIS108A, HIS108B, HIS72A, HIS72B, HIS79A, HIS79B, ILE119A, ILE119B, ILE69A, ILE69B, ILE9A, ILE9B, LEU134A, LEU134B, LEU14A, LEU14B, LEU32A, LEU32B, LEU36A, LEU36B, LEU42A, LEU42B, LEU52A, LEU52B, LEU53A, LEU53B, LYS133A, LYS133B, LYS37B, LYS46A, LYS46B, LYS4A, MET10A, MET10B, MET51A, MET51B, PHE137A, PHE137B, PHE30A, PHE30B, PHE44A, PHE44B, PHE45A, PHE45B, PHE55A, PHE55B, PHE80A, PHE80B, PHE82A, PHE82B, PHE97A, PHE97B, PRO111A, PRO111B, PRO57B, PRO5A, PRO5B, PRO68A, PRO68B, PRO6A, PRO6B, PRO70A, PRO70B, SER114A, SER114B, SER116A, SER116B, SER126A, SER126B, SER60A, SER60B, SER61A, SER61B, SER7A, SER7B, THR12A, THR12B, TRP110A, TRP110B, TRP135A, TRP135B, TRP93A, TRP93B, TYR107A, TYR107B, TYR115A, TYR115B, TYR118A, TYR118B, TYR15A, TYR15B, TYR26A, TYR26B, TYR83A, TYR83B, VAL104A, VAL117A, VAL117B, VAL127A, VAL127B, VAL129A, VAL129B, VAL29A, VAL29B, VAL35A, VAL35B, VAL75A, VAL75B, VAL90A, VAL90B
• A-C: ARG62C, ASN112A, ASN66C, ASN67C, ASP64C, GLN41C, GLU59C, GLY136A, GLY40C, HIS108A, LEU134A, LEU38C, PRO111A, PRO39C, TRP110A, TRP135A
• A-E: ARG27A, ARG27E, ASP20A, ASP20E, ASP28A, ASP28E, GLN41A, GLN41E, GLU23A, GLU23E, GLU33A, GLU33E, GLY31A, GLY40A, GLY40E, LEU32A, LEU32E, LEU36A, LEU36E, LEU38A, LEU38E, LEU42A, LEU42E, LYS37A, LYS37E, LYS46A, MET34A, MET34E, MET51A, MET51E, PHE44A, PHE44E, PHE45A, PHE45E, PRO39A, PRO39E, VAL35A, VAL35E, VAL43A, VAL43E
• B-C: ARG27B, ARG27C, ASN66C, ASP20B, ASP20C, ASP28C, GLN41B, GLN41C, GLU23B, GLU23C, GLU33B, GLU33C, GLY40B, GLY40C, LEU36B, LEU36C, LEU38B, LEU38C, LEU42B, LEU42C, LYS37B, LYS37C, LYS46B, LYS46C, MET34B, MET34C, MET51B, MET51C, PHE44B, PHE44C, PHE45B, PHE45C, PRO39B, PRO39C, PRO68B, VAL35B, VAL35C, VAL43B, VAL43C
• B-D: ALA65B, ARG62B, ASN112D, GLN41B, GLU59B, GLY40B, LEU134D, LEU38B, PRO111D, PRO39B, TRP135D
• B-E: ALA65E, ARG62E, ASN112B, GLN41E, LEU134B, LEU38E, PRO111B, PRO39E, TRP135B
• C-D: ALA13C, ALA13D, ALA74C, ALA74D, ALA84C, ALA84D, ALA8C, ALA8D, ARG109C, ARG109D, ARG120C, ARG120D, ARG27C, ARG27D, ARG49C, ARG49D, ARG71C, ARG71D, ARG96C, ARG96D, ASN112D, ASN125C, ASN125D, ASN66D, ASN67C, ASN67D, ASP85C, ASP85D, CYS47C, CYS47D, CYS81C, CYS81D, GLN50C, GLN50D, GLN77C, GLN77D, GLU105C, GLU105D, GLU11C, GLU11D, GLU128C, GLU128D, GLU131C, GLU131D, GLU33C, GLU33D, GLU89C, GLU89D, GLU92C, GLU92D, GLY124C, GLY124D, GLY130C, GLY130D, GLY132C, GLY132D, GLY136C, GLY136D, GLY31C, GLY31D, GLY48C, GLY48D, GLY73C, GLY73D, GLY76C, GLY76D, GLY78C, GLY78D, HIS106C, HIS106D, HIS108C, HIS108D, HIS72C, HIS72D, HIS79C, HIS79D, ILE119C, ILE119D, ILE69C, ILE69D, ILE9C, ILE9D, LEU134C, LEU134D, LEU14C, LEU14D, LEU32C, LEU32D, LEU36C, LEU36D, LEU42C, LEU42D, LEU52C, LEU52D, LEU53C, LEU53D, LYS133C, LYS133D, LYS46C, LYS46D, LYS4C, LYS4D, MET10C, MET10D, MET51C, MET51D, PHE137C, PHE137D, PHE30C, PHE30D, PHE44C, PHE44D, PHE45C, PHE45D, PHE55C, PHE55D, PHE80C, PHE80D, PHE82C, PHE82D, PHE97C, PHE97D, PRO111C, PRO111D, PRO57C, PRO57D, PRO5C, PRO5D, PRO68C, PRO68D, PRO6C, PRO6D, PRO70C, PRO70D, SER114C, SER114D, SER116C, SER116D, SER126C, SER126D, SER60C, SER60D, SER61C, SER61D, SER7C, SER7D, THR12C, THR12D, TRP110C, TRP110D, TRP135C, TRP135D, TRP93C, TRP93D, TYR107C, TYR107D, TYR115C, TYR115D, TYR118C, TYR118D, TYR15C, TYR15D, TYR26C, TYR26D, TYR83C, TYR83D, VAL104D, VAL117C, VAL117D, VAL127C, VAL127D, VAL129C, VAL129D, VAL29C, VAL29D, VAL35C, VAL35D, VAL75C, VAL75D, VAL90C, VAL90D