3KB8

2.09 angstrom resolution structure of a hypoxanthine-guanine phosphoribosyltransferase (hpt-1) from bacillus anthracis str. 'ames ancestor' in complex with gmp

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 89
  • Norm. En. per Res.: -5.3704
• 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	-106.606	-55.2872	-522.298	-684.1912	179	24	7	22057	19	84	63
A-C	-12.0742	5.308	-41.9786	-48.7448	35	2	0	1881	0	7	13
A-D	-105.087	-42.341	-293.121	-440.549	89	16	4	9679	3	33	30
B-C	-105.5384	-55.1922	-317.236	-477.9666	89	20	4	10181	4	35	33
B-D	0.0	-5.2797	-8.1906	-13.4703	19	0	0	611	0	4	8
C-D	-77.3328	-6.7742	-406.952	-491.059	146	11	3	17256	12	52	40

Interface residues

• A-B: ALA0A, ALA0B, ALA28A, ALA28B, ALA38A, ALA38B, ALA45A, ALA45B, ALA50A, ALA50B, ALA66A, ALA66B, ARG165A, ARG165B, ARG55A, ARG55B, ARG93A, ARG93B, ASN-1A, ASN-1B, ASN-7B, ASN166A, ASN166B, ASN33A, ASN33B, ASN3A, ASN3B, ASP159A, ASP159B, ASP51A, ASP51B, ASP57A, ASP57B, ASP5A, ASP5B, ASP63A, ASP63B, ASP85A, ASP85B, ASP87A, ASP87B, ASP94B, GLN-3A, GLN-3B, GLN163A, GLN163B, GLN17A, GLN17B, GLN4A, GLN4B, GLU-8A, GLU13A, GLU13B, GLU162A, GLU162B, GLU61A, GLU61B, GLU91A, GLU91B, GLY155A, GLY155B, GLY157A, GLY157B, GLY40A, GLY40B, GLY44A, GLY44B, GLY92A, GLY92B, HIS-17A, HIS-18A, HIS-19A, HIS-20A, HIS-21A, HIS-22A, ILE16A, ILE16B, ILE27B, ILE39A, ILE6B, LEU-6A, LEU-6B, LEU158A, LEU158B, LEU167A, LEU167B, LEU173A, LEU173B, LEU37A, LEU37B, LEU42A, LEU42B, LEU52A, LEU52B, LEU53A, LEU53B, LEU60A, LEU60B, LEU83A, LEU83B, LEU86A, LEU86B, LYS121A, LYS121B, LYS161A, LYS161B, LYS32A, LYS32B, LYS43A, LYS43B, LYS54A, LYS54B, LYS84A, LYS84B, MET-23A, MET1A, MET1B, MET2A, MET2B, MET46A, MET46B, MET49A, MET49B, MET62A, MET62B, MET65A, MET65B, PHE-4A, PHE-4B, PHE48A, PHE48B, PHE64A, PHE64B, PRO168A, PRO168B, PRO36A, PRO36B, PRO47A, PRO47B, SER-15A, SER-16A, SER-2A, SER-2B, SER68A, SER68B, SER89B, THR-9A, THR34A, THR34B, THR56A, THR56B, THR58A, THR58B, THR88A, THR88B, TYR-5A, TYR-5B, TYR156A, TYR156B, TYR160A, TYR160B, TYR164A, TYR164B, TYR169A, TYR169B, TYR31A, TYR31B, TYR59A, TYR59B, VAL177A, VAL177B, VAL20A, VAL20B, VAL35A, VAL35B, VAL67A, VAL67B, VAL90B, VAL98B
• A-C: ALA66A, ALA66C, ASN-7A, GLU-8A, GLU79C, GLY-10A, GLY71C, HIS-17A, HIS-18A, HIS-19A, HIS72C, ILE82A, ILE82C, LEU83A, LEU83C, LYS43A, LYS81A, LYS81C, LYS84A, LYS84C, SER-15A, SER-16A, SER68A, SER68C, SER69C, SER73C, SER76C, THR-9A, THR74C, THR77C, TYR70C, VAL-13A, VAL67A, VAL67C, VAL75C
• A-D: ALA120A, ALA120D, ARG118A, ARG118D, ARG93A, ARG93D, ASP113A, ASP113D, ASP63A, ASP63D, ASP85A, ASP85D, ASP87A, ASP87D, GLU79A, GLU79D, GLU91A, GLU91D, GLY71A, GLY71D, GLY78A, GLY78D, GLY92A, GLY92D, HIS72A, HIS72D, ILE82A, ILE82D, LEU106A, LEU106D, LEU108A, LEU108D, LEU111A, LEU111D, LEU114A, LEU114D, LEU83A, LEU83D, LEU86A, LEU86D, LYS116A, LYS116D, LYS119A, LYS119D, LYS81A, LYS81D, LYS84A, LYS84D, MET65A, MET65D, PHE115A, PHE115D, PHE64A, PHE64D, SER109A, SER109D, SER68A, SER68D, SER69A, SER69D, SER73A, SER73D, SER76A, SER76D, SER89A, SER89D, THR107A, THR107D, THR74A, THR74D, THR77A, THR77D, THR88A, THR88D, TYR110A, TYR110D, TYR117A, TYR117D, TYR70A, TYR70D, VAL112A, VAL112D, VAL137D, VAL67A, VAL67D, VAL80A, VAL80D, VAL90A, VAL90D
• B-C: ALA120B, ALA120C, ARG118B, ARG118C, ARG93B, ARG93C, ASP113B, ASP113C, ASP63B, ASP63C, ASP85B, ASP85C, ASP87B, ASP87C, GLU79B, GLU79C, GLU91B, GLU91C, GLY71B, GLY71C, GLY78B, GLY78C, GLY92B, GLY92C, HIS72B, HIS72C, ILE82B, ILE82C, ILE95C, LEU106C, LEU108B, LEU108C, LEU111B, LEU111C, LEU114B, LEU114C, LEU37C, LEU83B, LEU83C, LEU86B, LEU86C, LYS116B, LYS116C, LYS119B, LYS119C, LYS81B, LYS81C, LYS84B, LYS84C, MET65B, MET65C, PHE115B, PHE115C, PHE64B, PHE64C, SER109B, SER109C, SER68B, SER68C, SER69B, SER69C, SER73B, SER73C, SER76B, SER76C, SER89B, SER89C, THR107B, THR107C, THR74B, THR74C, THR77B, THR77C, THR88B, THR88C, TYR110B, TYR110C, TYR117B, TYR117C, TYR70B, TYR70C, VAL112B, VAL112C, VAL67B, VAL67C, VAL80B, VAL80C, VAL90B, VAL90C
• B-D: ALA66B, ALA66D, ASN-7B, GLU-8B, HIS72D, ILE82B, ILE82D, LEU83B, LEU83D, LYS81B, LYS81D, LYS84B, LYS84D, SER68B, SER68D, SER73D, SER76D, VAL67B, VAL67D
• C-D: ALA0C, ALA0D, ALA28C, ALA28D, ALA38C, ALA38D, ALA45C, ALA45D, ALA50C, ALA50D, ALA66C, ALA66D, ARG165C, ARG165D, ARG55C, ARG55D, ARG93C, ARG93D, ASN166C, ASN166D, ASN33C, ASN33D, ASN3C, ASN3D, ASP159C, ASP159D, ASP51C, ASP51D, ASP57C, ASP57D, ASP5C, ASP5D, ASP63C, ASP63D, ASP85C, ASP85D, ASP87C, ASP87D, GLN163C, GLN163D, GLN17C, GLN17D, GLN4C, GLN4D, GLU13C, GLU13D, GLU162C, GLU162D, GLU29D, GLU61C, GLU61D, GLY155C, GLY155D, GLY157C, GLY157D, GLY40C, GLY40D, GLY44C, GLY44D, ILE16C, ILE16D, ILE27C, ILE6C, ILE6D, ILE82C, LEU158C, LEU158D, LEU167C, LEU167D, LEU173C, LEU173D, LEU21D, LEU37C, LEU37D, LEU42C, LEU42D, LEU52C, LEU52D, LEU53C, LEU53D, LEU60C, LEU60D, LEU83C, LEU83D, LEU86C, LEU86D, LYS161C, LYS161D, LYS32C, LYS32D, LYS43C, LYS43D, LYS54C, LYS54D, LYS84C, LYS84D, MET1C, MET1D, MET2C, MET2D, MET46C, MET46D, MET49C, MET49D, MET62C, MET62D, MET65C, MET65D, PHE48C, PHE48D, PHE64C, PHE64D, PRO168C, PRO168D, PRO36C, PRO36D, PRO47C, PRO47D, SER68C, SER68D, THR34C, THR56C, THR56D, THR58C, THR58D, THR88C, THR88D, TYR156C, TYR156D, TYR160C, TYR160D, TYR164C, TYR164D, TYR169C, TYR169D, TYR59C, TYR59D, VAL177C, VAL177D, VAL20C, VAL20D, VAL35C, VAL35D, VAL67C, VAL67D, VAL98C