2Q5R

structure of apo staphylococcus aureus d-tagatose-6-phosphate kinase

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 116
  • Norm. En. per Res.: -6.3178
• 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	-166.4829	-74.818	-435.473	-676.7739	118	28	8	17109	9	37	39
A-C	-5.7464	0.0	-10.2709	-16.0173	26	1	0	712	0	10	8
A-D	0.0	0.0	-0.1611	-0.1611	5	0	0	34	0	3	3
B-C	0.0	-2.2654	-5.0422	-7.3076	12	1	0	241	0	6	8
B-D	-22.8954	-21.0189	-94.5339	-138.4482	54	3	2	3524	2	23	19
C-D	-202.8039	-84.2667	-445.794	-732.8646	116	29	8	17289	10	38	38

Interface residues

• A-B: ALA19A, ALA19B, ALA68A, ALA68B, ALA92A, ALA92B, ARG27A, ARG27B, ARG88A, ARG88B, ASN26A, ASN26B, ASN89A, ASN89B, ASP23A, ASP23B, ASP24A, ASP24B, CYS90A, CYS90B, GLN105A, GLN105B, GLN29A, GLN29B, GLN65A, GLN65B, GLN98A, GLN98B, GLN99A, GLN99B, GLU101A, GLU101B, GLU104A, GLU104B, GLU30A, GLU30B, GLU62A, GLU62B, GLU86A, GLU86B, GLU96A, GLU96B, GLY106A, GLY106B, GLY60B, GLY61A, GLY61B, GLY64A, GLY64B, GLY85A, GLY85B, GLY97A, GLY97B, HIS73B, HIS95A, HIS95B, ILE102A, ILE102B, ILE13A, ILE13B, ILE67A, ILE67B, ILE91A, ILE91B, ILE93A, ILE93B, LEU103A, LEU103B, LEU17A, LEU17B, LEU20A, LEU20B, LEU22A, LEU22B, LEU63A, LEU63B, LEU94A, LEU94B, LYS139A, LYS139B, LYS21A, LYS21B, LYS33A, LYS33B, LYS69A, LYS69B, LYS70A, LYS70B, LYS84A, LYS84B, PHE66A, PHE66B, PRO107A, PRO107B, PRO16A, PRO16B, SER10A, SER10B, SER136A, SER136B, SER14A, SER14B, SER32A, SER32B, THR100A, THR100B, THR87A, THR87B, TYR15A, TYR15B, VAL11A, VAL11B, VAL25A, VAL25B, VAL28A, VAL28B, VAL31A, VAL31B
• A-C: ALA19C, ALA225C, ALA68A, ASN111A, ASN82A, ASP72A, GLN112A, GLN65A, GLN98C, GLU62A, GLU96C, GLY60A, GLY61A, GLY97C, HIS78A, HIS95C, ILE244C, ILE59A, ILE83A, LEU20C, LEU22C, LYS21C, LYS84A, PHE80A, PRO242C, THR243C
• A-D: ASP23D, GLN65A, GLU62A, LEU22D, LYS84A
• B-C: ALA68B, ASN82B, ASP23C, GLN65B, GLN98C, GLU62B, GLY61B, ILE59B, LEU20C, LEU22C, LYS69B, LYS84B
• B-D: ALA19D, ALA285D, ALA288D, ALA55B, ALA68B, ALA79B, ASN26D, ASN82B, ASP23D, ASP24D, ASP72B, ASP75B, GLN112B, GLN123B, GLN286D, GLN65B, GLN98D, GLN99D, GLU287D, GLU96D, GLY116B, GLY57B, GLY60B, GLY61B, GLY64B, GLY97D, HIS120B, HIS73B, HIS78B, HIS95D, ILE59B, ILE67B, ILE76B, ILE83B, LEU124B, LEU17D, LEU20D, LEU22D, LEU54B, LEU71B, LYS119B, LYS127B, LYS21D, LYS69B, LYS77B, LYS84B, PHE117B, PHE58B, PHE66B, PHE80B, PRO249D, SER56B, THR18D, TYR81B
• C-D: ALA19D, ALA68C, ALA68D, ALA92C, ALA92D, ARG27C, ARG27D, ARG88C, ARG88D, ASN26C, ASN26D, ASN89C, ASN89D, ASN8C, ASP23C, ASP23D, ASP24C, ASP24D, CYS90C, CYS90D, GLN105C, GLN105D, GLN29C, GLN29D, GLN65C, GLN65D, GLN98C, GLN98D, GLN99C, GLN99D, GLU101C, GLU101D, GLU104C, GLU104D, GLU30C, GLU30D, GLU62C, GLU62D, GLU86C, GLU86D, GLU96D, GLY106C, GLY106D, GLY135C, GLY61C, GLY61D, GLY64C, GLY64D, GLY85D, GLY97C, GLY97D, HIS73C, HIS95C, HIS95D, ILE102C, ILE102D, ILE13C, ILE13D, ILE67C, ILE67D, ILE91C, ILE91D, ILE93C, ILE93D, LEU103C, LEU103D, LEU17C, LEU17D, LEU20C, LEU20D, LEU22C, LEU22D, LEU63C, LEU63D, LEU94C, LEU94D, LYS139C, LYS139D, LYS21C, LYS21D, LYS33C, LYS33D, LYS38C, LYS69C, LYS69D, LYS70C, LYS70D, LYS84D, PHE66C, PHE66D, PRO107D, PRO16C, PRO16D, SER10C, SER10D, SER136C, SER14C, SER14D, SER165C, SER32C, SER32D, THR100C, THR100D, THR87C, THR87D, TYR15C, TYR15D, VAL11C, VAL11D, VAL250D, VAL25C, VAL25D, VAL28C, VAL28D, VAL31C, VAL31D