2YZK

crystal structure of orotate phosphoribosyltransferase from aeropyrum pernix

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 111
  • Norm. En. per Res.: -4.8882
• 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	-89.9496	-125.45	-327.193	-542.5926	111	15	6	13139	6	30	24
A-C	-12.2264	7.3116	-147.736	-152.6508	80	3	2	6468	1	33	32
A-D	-31.8057	7.2873	-125.155	-149.6734	48	7	0	4980	0	19	17
B-C	0.0	10.2013	-8.5007	1.7006	12	3	0	445	0	3	4
C-D	-65.6307	-126.6525	-332.615	-524.8982	108	15	6	13285	7	29	24

Interface residues

• A-B: ALA61A, ALA61B, ALA66A, ALA66B, ALA73A, ALA73B, ALA74A, ALA74B, ALA77A, ALA77B, ARG32A, ARG32B, ARG33A, ARG33B, ARG79A, ARG79B, ARG88A, ARG88B, ARG9A, ARG9B, ASP103A, ASP103B, ASP114A, ASP114B, ASP30A, ASP30B, ASP37A, ASP37B, GLN99A, GLN99B, GLU101A, GLU101B, GLU38A, GLU38B, GLU90A, GLY102A, GLY102B, GLY10A, GLY10B, GLY36A, GLY36B, GLY64A, GLY64B, GLY68A, GLY68B, GLY69A, GLY69B, GLY85A, GLY85B, ILE63A, ILE63B, LEU34A, LEU34B, LEU35A, LEU35B, LEU45A, LEU45B, LEU49A, LEU49B, LEU70A, LEU70B, LEU76A, LEU76B, LEU78A, LEU78B, LEU80A, LEU80B, LEU84A, LEU84B, LYS106A, LYS82A, LYS82B, LYS8B, PRO104A, PRO104B, PRO105A, PRO105B, PRO71A, PRO71B, PRO83A, PRO83B, PRO89A, PRO89B, SER39A, SER39B, SER40A, SER40B, SER42A, SER42B, SER60A, SER60B, SER81A, SER81B, THR67A, THR67B, TRP72A, TRP72B, TYR134A, TYR134B, TYR28A, TYR28B, TYR41A, TYR41B, TYR86A, TYR86B, VAL100A, VAL100B, VAL62A, VAL62B, VAL65B, VAL87B
• A-C: ALA123A, ALA149C, ALA66A, ARG145A, ARG145C, ARG14C, ARG155A, ARG155C, ARG23A, ARG23C, ARG24A, ARG24C, ARG32A, ARG32C, ARG33A, ARG33C, ARG88A, ARG88C, ARG91A, ASP113A, ASP114A, ASP16C, ASP30A, ASP30C, GLU127A, GLU127C, GLU147C, GLU151C, GLU90A, GLY119A, GLY119C, GLY146C, GLY148C, GLY150C, GLY15C, GLY22A, GLY22C, GLY68A, GLY93A, GLY95A, HIS94A, ILE122A, ILE29A, ILE29C, LEU13C, LEU152A, LEU152C, LEU19A, LEU19C, LYS124A, LYS124C, LYS167C, LYS92A, PHE17A, PHE17C, PRO89A, SER121A, SER121C, SER125A, SER131A, SER20A, SER20C, SER21A, SER21C, SER25C, SER98C, THR117A, THR117C, THR118A, THR118C, THR120A, THR120C, THR67A, TYR28A, TYR28C, VAL115A, VAL18A, VAL18C, VAL27C, VAL65A
• A-D: ALA149A, ARG145A, ARG14A, ARG23A, ARG24A, ARG88D, ARG91D, ASN132D, ASP144A, ASP16A, GLN99D, GLU101D, GLU147A, GLU151A, GLU171A, GLU90D, GLY146A, GLY148A, GLY15A, GLY176A, GLY177A, GLY22A, GLY93D, GLY95D, HIS94D, ILE169A, ILE29A, LEU166A, LEU170A, LEU19A, LEU97D, LYS167A, LYS92D, PHE17A, PRO89D, SER21A, SER25A, SER26A, SER98D, THR117A, THR118A, THR165A, THR168A, THR96D, TRP175A, VAL100D, VAL18A, VAL27A
• B-C: ARG23C, ARG24C, ARG88B, ASP16C, GLN99B, GLU101B, GLY22C, PHE17C, SER25C, SER26C, TYR86B, VAL18C
• C-D: ALA61C, ALA61D, ALA66C, ALA66D, ALA73C, ALA73D, ALA74C, ALA74D, ALA77C, ALA77D, ARG32C, ARG32D, ARG33C, ARG33D, ARG79C, ARG79D, ARG88C, ARG88D, ARG9C, ARG9D, ASP103C, ASP103D, ASP114C, ASP114D, ASP30C, ASP30D, ASP37C, ASP37D, GLN99C, GLN99D, GLU101C, GLU101D, GLU38C, GLU38D, GLU90D, GLY102C, GLY102D, GLY10D, GLY36C, GLY36D, GLY64C, GLY64D, GLY68C, GLY68D, GLY69C, GLY69D, GLY85C, GLY85D, ILE63C, ILE63D, LEU34C, LEU34D, LEU35C, LEU35D, LEU45C, LEU45D, LEU49C, LEU49D, LEU70C, LEU70D, LEU76C, LEU76D, LEU78C, LEU78D, LEU80C, LEU80D, LEU84C, LEU84D, LYS82C, LYS82D, PRO104C, PRO104D, PRO105C, PRO105D, PRO71C, PRO71D, PRO83C, PRO83D, PRO89D, SER39C, SER39D, SER40C, SER40D, SER42C, SER42D, SER60C, SER60D, SER81C, SER81D, THR67C, THR67D, TRP72C, TRP72D, TYR134C, TYR134D, TYR28C, TYR28D, TYR41C, TYR41D, TYR86C, TYR86D, VAL100C, VAL100D, VAL62C, VAL62D, VAL65C, VAL87C, VAL87D