2D5K

crystal structure of dps from staphylococcus aureus

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 110
  • Norm. En. per Res.: -4.0516
• 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	-76.0668	-67.7606	-301.848	-445.6754	110	18	5	11442	8	32	16
A-C	0.0	27.5724	-94.5261	-66.9537	45	5	1	3931	3	12	30
A-D	-14.4817	2.3513	-121.661	-133.7914	45	3	2	4597	0	6	8
C-D	-70.2536	-65.1904	-296.966	-432.4101	108	12	5	11254	8	32	16

Interface residues

• A-B: ALA17A, ALA17B, ALA22A, ALA22B, ALA52A, ALA52B, ALA60A, ALA60B, ALA86A, ALA86B, ALA87A, ALA87B, ASN13A, ASN13B, ASN18A, ASN28A, ASN28B, ASN50A, ASN50B, ASN69A, ASN69B, ASP57A, ASP57B, CYS77A, CYS77B, GLN54A, GLN54B, GLU46A, GLU46B, GLU58A, GLU58B, GLU61A, GLU61B, GLU76A, GLU76B, GLU85A, GLU85B, GLY67A, GLY68A, GLY68B, GLY72A, GLY72B, HIS27A, HIS27B, HIS30A, HIS30B, HIS42A, HIS42B, ILE63A, ILE63B, LEU26B, LEU59A, LEU59B, LEU64A, LEU64B, LEU74A, LEU74B, LEU78A, LEU78B, LYS25A, LYS25B, LYS34A, LYS34B, LYS84A, LYS84B, LYS88A, LYS88B, PHE29A, PHE29B, PHE38A, PHE38B, PRO70A, PRO70B, SER53A, SER53B, SER81A, SER81B, THR20A, THR20B, THR24A, THR24B, THR73A, THR73B, THR75A, THR75B, TRP19A, TRP19B, TRP31A, TRP31B, TYR23A, TYR23B, TYR32A, TYR32B, TYR49A, TYR49B, TYR55A, TYR55B, TYR90A, VAL16A, VAL16B, VAL21A, VAL21B, VAL33A, VAL33B, VAL56A, VAL56B, VAL71A, VAL71B, VAL83A, VAL83B
• A-C: ALA120C, ALA60C, ALA65C, ARG62C, ASN140A, ASP122C, ASP123C, ASP127A, ASP127C, ASP137A, ASP57C, GLN133A, GLU111A, GLU115A, GLU126A, GLU126C, GLU58C, GLU61C, GLY121C, GLY131A, GLY67C, GLY68C, HIS139A, ILE114A, ILE130A, ILE130C, ILE63C, LEU110A, LEU64C, LYS138A, LYS144A, MET128C, MET132A, MET142A, PHE129A, PRO70C, SER107A, SER125C, SER135A, SER145A, THR134A, TRP141A, VAL124C, VAL136A, VAL66C
• A-D: ALA92A, ALA92D, ASN37A, ASN37D, GLN94D, GLU150A, GLU47A, GLU93A, GLU93D, GLY35D, HIS139A, HIS30D, HIS42D, LEU147A, LEU149A, LEU41A, LEU41D, LEU48A, LEU99A, LYS138A, LYS144A, LYS34D, LYS44A, MET142A, PHE143A, PHE29D, PHE38D, PHE39A, PHE39D, PHE45A, PRO36A, PRO36D, SER145A, SER148A, SER40A, SER40D, SER91D, TRP141A, TRP31D, TYR146A, TYR32D, VAL33D, VAL43A, VAL43D, VAL96A
• C-D: ALA17C, ALA17D, ALA22C, ALA22D, ALA52C, ALA52D, ALA60C, ALA60D, ALA86C, ALA86D, ALA87C, ALA87D, ASN13C, ASN13D, ASN28C, ASN28D, ASN50C, ASN50D, ASN69C, ASN69D, ASP57C, ASP57D, CYS77C, CYS77D, GLN54C, GLN54D, GLU46C, GLU46D, GLU58C, GLU58D, GLU61C, GLU61D, GLU76C, GLU76D, GLU85C, GLU85D, GLY67D, GLY68C, GLY68D, GLY72C, GLY72D, HIS27C, HIS27D, HIS30C, HIS30D, HIS42C, HIS42D, ILE63C, ILE63D, LEU26D, LEU59C, LEU59D, LEU64C, LEU64D, LEU74C, LEU74D, LEU78C, LEU78D, LYS25C, LYS25D, LYS34C, LYS34D, LYS84D, LYS88C, LYS88D, PHE29C, PHE29D, PHE38C, PHE38D, PRO70C, PRO70D, SER53C, SER53D, SER81C, SER81D, THR20C, THR20D, THR24C, THR24D, THR73C, THR73D, THR75C, THR75D, TRP19C, TRP19D, TRP31C, TRP31D, TYR23C, TYR23D, TYR32C, TYR32D, TYR49C, TYR49D, TYR55C, TYR55D, TYR90D, VAL16C, VAL16D, VAL21C, VAL21D, VAL33C, VAL33D, VAL56C, VAL56D, VAL71C, VAL71D, VAL83C, VAL83D