1S3T

borate inhibited bacillus pasteurii urease crystal structure

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 150
  • Norm. En. per Res.: -5.1886
• Hub Node: A(2)

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	-23.4307	5.0198	-56.1435	-74.5544	19	3	0	1828	0	1	3
A-C	-69.4288	-4.9652	-234.835	-309.229	90	9	3	9719	6	19	18
B-C	-181.0891	-56.4409	-540.758	-778.2879	150	36	11	20724	6	44	46

Interface residues

• A-B: ARG66A, ASN5B, GLU11B, GLU71A, GLU75A, GLY10B, GLY72A, ILE77A, ILE7B, MET70A, MET76A, PRO74A, PRO9B, SER100A, TYR32A, TYR6B, VAL69A, VAL73A, VAL8B
• A-C: ALA16A, ALA23C, ALA35A, ALA37A, ALA466C, ALA564C, ALA6A, ALA82A, ALA84A, ARG21C, ARG23A, ARG477C, ARG566C, ASN31A, ASN4A, ASP24C, ASP463C, ASP78A, ASP79A, GLN12A, GLN472C, GLN565C, GLN81A, GLU34A, GLU439C, GLU560C, GLU71A, GLU75A, GLU7A, GLU83A, GLU9A, GLY462C, GLY72A, ILE13A, ILE38A, ILE39A, ILE43A, ILE461C, ILE468C, ILE77A, ILE80A, LEU11A, LEU15A, LEU19A, LEU20A, LEU28A, LEU30A, LEU561C, LEU569C, LEU92A, LYS10A, LYS29A, LYS441C, LYS446C, LYS8A, LYS91A, MET44A, MET475C, MET70A, MET76A, PHE14A, PHE442C, PHE443C, PHE568C, PHE570C, PRO33A, PRO440C, PRO464C, PRO469C, PRO471C, PRO473C, PRO562C, PRO5A, PRO74A, SER17A, SER41A, SER465C, SER467C, THR40A, THR470C, THR90A, THR94A, TYR32A, TYR567C, VAL36A, VAL445C, VAL474C, VAL69A, VAL73A, VAL93A
• B-C: ALA15B, ALA23B, ALA23C, ALA74B, ALA9C, ARG13B, ARG21C, ARG25B, ARG51C, ARG566C, ARG5C, ARG66B, ARG94B, ASN102C, ASN104B, ASN22B, ASN396C, ASN43C, ASN4C, ASN57C, ASN5B, ASN68B, ASN73C, ASN93B, ASP101B, ASP104C, ASP107C, ASP18C, ASP24C, ASP26C, ASP34C, ASP382C, ASP399C, ASP40C, GLN41B, GLN6C, GLN7C, GLU10C, GLU11B, GLU125C, GLU16B, GLU18B, GLU19C, GLU20B, GLU30C, GLU41C, GLU439C, GLU50B, GLU52C, GLU56C, GLU86B, GLU89B, GLU95B, GLY105B, GLY108C, GLY10B, GLY126C, GLY13C, GLY17B, GLY17C, GLY397C, GLY39C, GLY43B, GLY45C, GLY46C, GLY47C, GLY53C, GLY55C, GLY58C, GLY64B, GLY72B, GLY91B, GLY92B, GLY98B, HIS45B, HIS47B, ILE105C, ILE114C, ILE128C, ILE19B, ILE21B, ILE29C, ILE3C, ILE46B, ILE69B, ILE7B, ILE99B, LEU22C, LEU27C, LEU50C, LEU67B, LEU75C, LEU90B, LYS127C, LYS27B, LYS2C, LYS385C, LYS441C, LYS48C, LYS84C, LYS99C, MET106C, MET1C, MET54C, MET563C, PHE442C, PHE443C, PHE44C, PHE97B, PRO103C, PRO14C, PRO390C, PRO440C, PRO562C, PRO70B, PRO9B, SER100B, SER11C, SER398C, SER44B, SER71B, THR103B, THR15C, THR25C, THR36C, THR37C, THR59C, THR73B, THR88B, TRP28C, TYR12B, TYR12C, TYR38C, TYR567C, TYR60C, TYR6B, TYR8C, VAL107B, VAL109C, VAL14B, VAL16C, VAL20C, VAL31C, VAL42B, VAL42C, VAL445C, VAL49C, VAL51B, VAL8B, VAL96B