2JGV

structure of staphylococcus aureus d-tagatose-6-phosphate kinase in complex with adp

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 119
  • Norm. En. per Res.: -5.9806
• 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	0.0	0.0	-0.0411	-0.0411	5	0	0	17	0	2	3
A-C	-29.0202	-19.8229	-97.3915	-146.2346	61	3	2	3884	2	23	18
A-D	-198.6869	-66.4315	-429.396	-694.5144	118	31	7	16981	6	38	37
B-C	-205.2903	-84.4942	-421.901	-711.6855	119	37	7	17222	8	37	40
B-D	0.0	0.0	-12.8688	-12.8688	25	1	0	501	0	10	9
C-D	0.0	-0.9833	-3.8324	-4.8158	12	0	0	198	0	6	8

Interface residues

• A-B: ASP23A, GLN65B, GLU62B, LEU22A, LYS84B
• A-C: ALA115C, ALA19A, ALA285A, ALA288A, ALA55C, ALA68C, ALA79C, ASN248A, ASN26A, ASN82C, ASP23A, ASP24A, ASP72C, ASP75C, GLN112C, GLN123C, GLN286A, GLN29A, GLN65C, GLN98A, GLN99A, GLU122C, GLU30A, GLU96A, GLY116C, GLY57C, GLY60C, GLY61C, GLY64C, GLY97A, HIS120C, HIS73C, HIS78C, HIS95A, ILE244A, ILE59C, ILE67C, ILE76C, ILE83C, LEU124C, LEU17A, LEU20A, LEU22A, LEU247A, LEU54C, LEU71C, LYS119C, LYS127C, LYS21A, LYS69C, LYS77C, PHE117C, PHE58C, PHE80C, PRO249A, SER245A, SER56C, THR100A, THR18A, TYR81C, VAL246A
• A-D: ALA19A, ALA68A, ALA68D, ALA92A, ALA92D, ARG27A, ARG27D, ARG88A, ARG88D, ASN26A, ASN26D, ASN89A, ASN89D, ASP23A, ASP23D, ASP24A, ASP24D, CYS90A, CYS90D, GLN105A, GLN105D, GLN29A, GLN29D, GLN65A, GLN65D, GLN98A, GLN98D, GLN99A, GLN99D, GLU101A, GLU101D, GLU104A, GLU104D, GLU108A, GLU30A, GLU30D, GLU62A, GLU62D, GLU86A, GLU86D, GLU96A, GLU96D, GLY106A, GLY106D, GLY166D, GLY61A, GLY61D, GLY64A, GLY64D, GLY97A, GLY97D, HIS73A, HIS73D, HIS95A, HIS95D, ILE102A, ILE102D, ILE13A, ILE13D, ILE67A, ILE67D, ILE91A, ILE91D, ILE93A, ILE93D, LEU103A, LEU103D, LEU17A, LEU17D, LEU20A, LEU20D, LEU22A, LEU22D, LEU63A, LEU63D, LEU94A, LEU94D, LYS139A, LYS139D, LYS21A, LYS21D, LYS33A, LYS33D, LYS38A, LYS38D, LYS69A, LYS69D, LYS70A, LYS70D, LYS84A, PHE66A, PHE66D, PRO107A, PRO16A, PRO16D, SER10A, SER10D, SER136A, SER136D, SER14A, SER14D, SER165A, SER165D, SER32A, THR100A, THR100D, THR87A, THR87D, TYR15A, TYR15D, VAL11A, VAL11D, VAL25A, VAL25D, VAL28A, VAL28D, VAL31A, VAL31D
• B-C: ALA19C, ALA68B, ALA68C, ALA92B, ALA92C, ARG27B, ARG27C, ARG88B, ARG88C, ASN26B, ASN26C, ASN89B, ASN89C, ASN8B, ASP23B, ASP23C, ASP24B, ASP24C, CYS90B, CYS90C, GLN105B, GLN105C, GLN29B, GLN29C, GLN65B, GLN65C, GLN98B, GLN98C, GLN99B, GLN99C, GLU101B, GLU101C, GLU104B, GLU104C, GLU108B, GLU30B, GLU30C, GLU62B, GLU62C, GLU86B, GLU86C, GLU96B, GLU96C, GLY106B, GLY106C, GLY60B, GLY60C, GLY61B, GLY61C, GLY64B, GLY64C, GLY85B, GLY85C, GLY97B, GLY97C, HIS73B, HIS73C, HIS95B, HIS95C, ILE102B, ILE102C, ILE13B, ILE13C, ILE67B, ILE67C, ILE91B, ILE91C, ILE93B, ILE93C, LEU103B, LEU103C, LEU17B, LEU17C, LEU20B, LEU20C, LEU22B, LEU22C, LEU63B, LEU63C, LEU94B, LEU94C, LYS139B, LYS139C, LYS21B, LYS21C, LYS33B, LYS33C, LYS69B, LYS69C, LYS70B, LYS70C, LYS84B, LYS84C, PHE66B, PHE66C, PRO107B, PRO107C, PRO16B, PRO16C, SER10B, SER10C, SER136B, SER136C, SER14B, SER14C, THR100B, THR100C, THR87B, THR87C, TYR15B, TYR15C, VAL11B, VAL11C, VAL25B, VAL25C, VAL28B, VAL28C, VAL31B, VAL31C
• B-D: ALA19D, ALA225D, ALA68B, ASN82B, ASP72B, GLN112B, GLN65B, GLN98D, GLU62B, GLU96D, GLY61B, GLY97D, HIS78B, HIS95D, ILE244D, ILE59B, ILE83B, LEU20D, LYS21D, LYS84B, PHE80B, SER245D, THR18D, THR243D, VAL246D
• C-D: ALA68C, ASN82C, ASP23D, GLN65C, GLN98D, GLU62C, GLY61C, HIS73C, ILE59C, LEU22D, LYS69C, LYS84C