3O7M

1.98 angstrom resolution crystal structure of a hypoxanthine-guanine phosphoribosyltransferase (hpt-2) from bacillus anthracis str. 'ames ancestor'

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 114
  • Norm. En. per Res.: -4.4531
• 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	-40.0445	-5.2726	-213.261	-258.5781	69	15	1	8046	2	27	38
A-C	0.0	0.0	-0.1214	-0.1214	6	0	0	76	0	3	3
A-D	-63.6716	-144.7495	-299.23	-507.651	114	13	8	14033	16	54	40
B-C	-52.4354	-152.3827	-296.702	-501.5201	113	8	8	13679	16	55	41
B-D	0.0	0.0	-0.1516	-0.1516	6	0	0	83	0	3	4
C-D	-57.0578	-18.1485	-192.521	-267.7272	67	30	1	7850	2	28	40

Interface residues

• A-B: ALA66A, ALA66B, ASN88A, ASN88B, ASP112A, ASP112B, ASP62A, ASP62B, ASP84A, ASP84B, ASP86A, ASP86B, GLN72B, GLY70A, GLY91A, GLY91B, HIS108A, HIS108B, HIS113A, HIS113B, HIS117A, HIS117B, ILE64A, ILE64B, ILE85A, ILE85B, ILE89A, ILE89B, LEU110A, LEU110B, LEU81A, LEU81B, LEU82A, LEU82B, LYS111A, LYS111B, LYS118A, LYS118B, LYS78A, LYS78B, LYS80A, LYS80B, LYS83A, LYS83B, LYS92A, MET116A, MET116B, PHE109A, PHE109B, PHE114A, PHE114B, PHE115A, PHE115B, PHE63B, PRO119A, PRO119B, SER67A, SER67B, THR75B, THR76B, THR90A, THR90B, TYR69A, TYR69B, VAL136A, VAL79A, VAL79B, VAL87A, VAL87B
• A-C: LEU82A, LEU82C, LYS42A, LYS42C, LYS80A, LYS80C
• A-D: ALA160A, ALA160D, ALA39A, ALA39D, ALA48A, ALA48D, ALA49A, ALA49D, ARG164A, ARG164D, ARG53A, ARG53D, ASN165A, ASN165D, ASN57A, ASN57D, ASN88A, ASN88D, ASP158A, ASP158D, ASP50A, ASP50D, ASP58A, ASP58D, ASP62A, ASP62D, ASP84A, ASP84D, ASP86A, ASP86D, GLN16A, GLN16D, GLU12A, GLU12D, GLU161A, GLU161D, GLU27D, GLU34A, GLU34D, GLY154A, GLY154D, GLY156A, GLY156D, GLY43A, GLY43D, HIS54A, HIS54D, ILE157A, ILE157D, ILE35A, ILE35D, ILE52A, ILE52D, ILE55A, ILE55D, ILE61A, ILE61D, ILE64A, ILE64D, ILE85A, ILE85D, LEU15A, LEU15D, LEU166A, LEU166D, LEU41A, LEU41D, LEU51A, LEU51D, LEU82A, LEU82D, LYS162A, LYS162D, LYS42A, LYS42D, LYS56A, LYS56D, LYS83A, LYS83D, LYS92D, PHE168A, PHE168D, PHE45A, PHE45D, PHE47A, PHE47D, PHE63A, PHE63D, PRO167A, PRO167D, SER44A, SER44D, SER65A, SER65D, THR60A, THR60D, TYR155A, TYR155D, TYR163A, TYR163D, VAL19A, VAL19D, VAL36A, VAL36D, VAL37A, VAL37D, VAL46A, VAL46D, VAL59A, VAL59D, VAL87A, VAL87D, VAL97A, VAL97D
• B-C: ALA160B, ALA160C, ALA39B, ALA39C, ALA48B, ALA48C, ALA49B, ALA49C, ARG164B, ARG164C, ARG53B, ARG53C, ASN165B, ASN165C, ASN57B, ASN57C, ASN88B, ASN88C, ASP158B, ASP158C, ASP50B, ASP50C, ASP58B, ASP58C, ASP62B, ASP62C, ASP84B, ASP84C, ASP86B, ASP86C, GLN16B, GLN16C, GLU12B, GLU12C, GLU161B, GLU161C, GLU27C, GLU34B, GLU34C, GLY154B, GLY154C, GLY156B, GLY156C, GLY43B, GLY43C, HIS54B, HIS54C, ILE35B, ILE35C, ILE52B, ILE52C, ILE55B, ILE55C, ILE61B, ILE61C, ILE85B, ILE85C, LEU15B, LEU15C, LEU166B, LEU166C, LEU41B, LEU41C, LEU51B, LEU51C, LEU82B, LEU82C, LYS162B, LYS162C, LYS20B, LYS20C, LYS42B, LYS42C, LYS56B, LYS56C, LYS83B, LYS83C, LYS92B, PHE168B, PHE168C, PHE45B, PHE45C, PHE47B, PHE47C, PHE63B, PHE63C, PRO167B, PRO167C, SER44B, SER44C, SER65B, SER65C, SER67B, THR60B, THR60C, TYR155B, TYR155C, TYR163B, TYR163C, VAL19B, VAL19C, VAL36B, VAL36C, VAL37B, VAL37C, VAL46B, VAL46C, VAL59B, VAL59C, VAL87B, VAL87C, VAL97B, VAL97C
• B-D: LEU82B, LEU82D, LYS42B, LYS42D, LYS80B, LYS80D
• C-D: ALA66C, ALA66D, ASN88C, ASN88D, ASP112C, ASP112D, ASP62C, ASP62D, ASP84C, ASP84D, ASP86C, ASP86D, GLY91C, GLY91D, HIS108C, HIS108D, HIS113C, HIS113D, HIS117C, HIS117D, ILE38D, ILE64C, ILE64D, ILE85C, ILE85D, ILE89C, ILE89D, LEU110C, LEU110D, LEU81C, LEU81D, LEU82C, LEU82D, LYS111C, LYS111D, LYS118C, LYS118D, LYS78C, LYS78D, LYS80C, LYS80D, LYS83C, LYS83D, LYS92C, LYS92D, MET116C, MET116D, PHE109C, PHE109D, PHE114C, PHE114D, PHE115C, PHE115D, PRO119C, PRO119D, SER67C, SER67D, THR90C, THR90D, TYR69C, TYR69D, VAL36D, VAL79C, VAL79D, VAL87C, VAL87D, VAL94D