3OJC

crystal structure of a putative asp/glu racemase from yersinia pestis

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 115
  • Norm. En. per Res.: -5.6551
• 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	-4.6811	-26.281	-61.7063	-92.6683	43	3	0	2614	4	12	23
A-C	-132.7517	-63.7702	-453.811	-650.3329	115	25	14	15975	8	33	15
A-D	0.0	0.0	-94.9619	-94.9619	74	2	4	5689	2	13	16
B-C	-25.2839	3.4464	-32.5616	-54.3991	22	2	0	1415	0	0	4
B-D	-98.7564	-52.7955	-440.386	-591.938	116	22	16	15471	8	34	16
C-D	-6.4241	-25.5471	-72.4043	-104.3755	54	4	0	3080	2	18	26

Interface residues

• A-B: ALA157A, ALA29B, ARG127A, ARG155A, ARG160A, ARG176B, ARG180B, ARG21B, ASN206B, ASN24B, ASP151A, ASP152A, ASP154A, CYS167A, GLN132A, GLN208B, GLN25B, GLN30B, GLU131A, GLU14B, GLU156A, GLU164A, GLU165A, GLU165B, GLU173B, GLY169B, HIS47A, ILE170A, ILE170B, ILE171B, ILE17B, LEU166B, LEU168A, LEU168B, LEU203B, LEU204B, PRO18B, SER172B, THR153A, THR202B, TYR128A, TYR163A, TYR20B
• A-C: ALA37A, ALA37C, ALA54A, ALA68A, ALA68C, ALA75A, ALA75C, ALA77A, ALA77C, ARG21A, ARG21C, ASN24A, ASN24C, ASN67A, ASN67C, ASP45A, ASP45C, CYS167C, CYS83A, GLN25A, GLN25C, GLN51A, GLN51C, GLN53C, GLU14A, GLU14C, GLU48A, GLU48C, GLU50A, GLU50C, GLY10A, GLY10C, GLY169C, GLY32A, GLY32C, GLY33A, GLY33C, GLY6A, GLY6C, GLY76A, GLY76C, GLY9A, GLY9C, HIS26A, HIS26C, HIS35A, HIS35C, HIS47A, HIS47C, HIS74A, HIS74C, ILE17A, ILE17C, ILE23A, ILE23C, ILE39A, ILE39C, ILE40A, ILE40C, ILE49A, ILE49C, ILE4A, ILE4C, ILE70A, ILE70C, LEU168C, LEU31A, LEU31C, LEU34A, LEU34C, LEU41A, LEU41C, LEU5A, LEU5C, LEU64A, LEU64C, LEU72A, LEU72C, LEU7A, LEU7C, LYS28A, LYS28C, LYS38A, LYS38C, LYS73A, LYS73C, PHE46A, PHE46C, PRO18A, PRO18C, SER12A, SER12C, SER15A, SER15C, SER36A, SER36C, SER43A, SER43C, SER71A, SER71C, THR16A, THR16C, TRP13A, TRP13C, TYR163C, TYR19A, TYR19C, TYR20A, TYR20C, TYR42A, TYR42C, VAL27A, VAL27C, VAL44A, VAL44C
• A-D: ALA207D, ALA219A, ALA219D, ARG176A, ARG176D, ARG180A, ARG180D, ARG21A, ARG21D, ASN206A, ASN206D, ASP209A, ASP216A, ASP216D, CYS167A, CYS167D, GLN208A, GLN208D, GLN25A, GLN25D, GLU14A, GLU14D, GLU164A, GLU164D, GLU165A, GLU165D, GLU173A, GLU173D, GLU200A, GLU200D, GLY169A, GLY169D, ILE161D, ILE170A, ILE170D, ILE171A, ILE171D, ILE17A, ILE17D, ILE201D, LEU166A, LEU166D, LEU168A, LEU168D, LEU203A, LEU203D, LEU204A, LEU204D, LYS28A, PRO18A, PRO18D, SER12A, SER12D, SER15A, SER15D, SER172A, SER172D, SER175A, SER175D, THR16A, THR16D, THR174A, THR174D, THR199A, THR199D, THR202A, THR202D, TRP13A, TRP13D, TYR163A, TYR19A, TYR19D, VAL205A, VAL205D
• B-C: ALA29B, ALA29C, GLN25B, GLN25C, GLN30B, GLN30C, GLY32B, GLY32C, GLY33B, GLY33C, HIS26B, HIS26C, HIS35B, HIS35C, LEU31B, LEU31C, LEU34B, LEU34C, LYS28B, LYS28C, VAL27B, VAL27C
• B-D: ALA29D, ALA37B, ALA37D, ALA54D, ALA68B, ALA68D, ALA75B, ALA75D, ALA77B, ALA77D, ARG21B, ARG21D, ASN24B, ASN24D, ASN67B, ASN67D, ASP45B, ASP45D, CYS83B, CYS83D, GLN25B, GLN25D, GLN51B, GLN51D, GLU14B, GLU14D, GLU48B, GLU48D, GLU50B, GLU50D, GLY10B, GLY10D, GLY32B, GLY32D, GLY33B, GLY33D, GLY6B, GLY6D, GLY76B, GLY76D, GLY9B, GLY9D, HIS26B, HIS26D, HIS35B, HIS35D, HIS47B, HIS47D, HIS74B, HIS74D, ILE17B, ILE17D, ILE23B, ILE23D, ILE39B, ILE39D, ILE40B, ILE40D, ILE49B, ILE49D, ILE4B, ILE4D, ILE70B, ILE70D, ILE8B, ILE8D, LEU168D, LEU230B, LEU31B, LEU31D, LEU34B, LEU34D, LEU41B, LEU41D, LEU5B, LEU5D, LEU64B, LEU64D, LEU72B, LEU72D, LEU7B, LEU7D, LYS28B, LYS28D, LYS38B, LYS38D, LYS73B, LYS73D, PHE46B, PHE46D, PRO18B, PRO18D, SER12B, SER12D, SER15B, SER15D, SER36B, SER36D, SER43B, SER43D, SER71B, SER71D, THR16B, THR16D, TRP13B, TRP13D, TYR19B, TYR19D, TYR20B, TYR20D, TYR42B, TYR42D, VAL27B, VAL27D, VAL44B, VAL44D
• C-D: ALA157D, ALA207C, ALA219C, ALA29C, ARG127D, ARG155D, ARG160D, ARG176C, ARG180C, ARG21C, ASN159D, ASN206C, ASN24C, ASP151D, ASP152D, ASP154D, ASP177C, ASP209C, ASP216C, CYS167D, GLN132D, GLN208C, GLN25C, GLN30C, GLU131D, GLU14C, GLU156D, GLU164D, GLU165D, GLU173C, GLU200C, GLY169C, HIS47D, ILE170C, ILE170D, ILE171C, ILE17C, ILE201C, LEU168D, LEU203C, LEU204C, PRO18C, SER172C, SER172D, THR153D, THR174C, THR174D, THR199C, THR202C, TRP13C, TYR128D, TYR163D, TYR20C, VAL205C