3GXG

crystal structure of putative phosphatase (duf442) (yp_001181608.1) from shewanella putrefaciens cn-32 at 1.60 a resolution

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 89
  • Norm. En. per Res.: -3.7637
• 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	-71.4464	11.7798	-272.193	-331.8596	89	9	15	11223	0	4	4
A-C	0.0	10.4089	-7.2347	3.1742	25	0	0	467	1	10	9
A-D	0.0	0.0	-1.5004	-1.5004	9	0	0	174	0	2	2
B-C	-19.3011	-8.0984	-96.4934	-123.893	53	5	1	4149	2	19	18
C-D	-71.6246	0.0	-263.348	-334.9726	89	9	16	11060	0	4	4

Interface residues

• A-B: ALA40A, ALA40B, ALA60A, ALA60B, ARG34A, ARG34B, ASN23A, ASN23B, ASN29A, ASN29B, ASN50A, ASN50B, ASP120A, ASP120B, ASP63A, ASP63B, GLN31A, GLN31B, GLN37A, GLN37B, GLN38A, GLN38B, GLN39A, GLN39B, GLN42A, GLN42B, GLN52A, GLN52B, GLN53A, GLN53B, GLN59A, GLN59B, GLU25A, GLU25B, GLU28A, GLU28B, GLU51B, GLY0A, GLY0B, GLY118A, GLY118B, GLY32A, GLY32B, GLY61A, GLY61B, ILE24A, ILE24B, ILE27A, ILE27B, ILE33A, ILE33B, LEU122A, LEU122B, LEU30A, LEU30B, LEU36A, LEU36B, LEU43A, LEU43B, LEU44A, LEU44B, LEU56A, LEU56B, LEU57A, LEU57B, LYS119A, LYS119B, LYS58A, LYS58B, PHE54A, PHE54B, PRO41A, PRO41B, PRO49A, PRO49B, SER26A, SER26B, SER45A, SER45B, SER46A, SER46B, SER55A, SER55B, VAL121A, VAL121B, VAL62A, VAL62B, VAL64A, VAL64B
• A-C: ASN29A, ASN50A, ASP120C, ASP63C, ASP90C, GLN42C, GLN52A, GLN59C, GLN86A, GLN86C, GLU25A, GLU51A, GLY0A, GLY118C, GLY61C, GLY88C, HIS77A, LEU83A, LYS119C, LYS58C, LYS82A, LYS82C, PRO78A, SER55A, THR85C
• A-D: ASN23D, ASP79A, GLN86A, GLU25D, GLU51A, GLY0D, LEU83A, LYS82A, PRO78A
• B-C: ALA108C, ALA111C, ALA112C, ALA60B, ALA87B, ALA87C, ASN67C, ASP105C, ASP63B, ASP71C, ASP79C, ASP90C, GLN115C, GLN52B, GLN53B, GLN59B, GLN86B, GLN86C, GLU104C, GLU107C, GLU51B, GLU80C, GLY61B, GLY81C, GLY88B, GLY88C, HIS116C, ILE66C, ILE94C, LEU56B, LEU57B, LEU83B, LEU83C, LYS58B, LYS58C, LYS82B, LYS82C, PHE109C, PHE54B, PRO78B, PRO78C, PRO95C, SER55B, THR85B, THR85C, TYR91C, TYR93C, VAL62B, VAL64C, VAL65C, VAL84B, VAL84C, VAL92C
• C-D: ALA40C, ALA40D, ALA60C, ALA60D, ARG34C, ARG34D, ASN23C, ASN23D, ASN29C, ASN29D, ASN50C, ASN50D, ASP120C, ASP120D, ASP63C, ASP63D, GLN31C, GLN31D, GLN37C, GLN37D, GLN38C, GLN38D, GLN39C, GLN39D, GLN42C, GLN42D, GLN52C, GLN52D, GLN53C, GLN53D, GLN59C, GLN59D, GLU25C, GLU25D, GLU28C, GLU28D, GLU51C, GLY0C, GLY0D, GLY118C, GLY118D, GLY32C, GLY32D, GLY61C, GLY61D, ILE24C, ILE24D, ILE27C, ILE27D, ILE33C, ILE33D, LEU122C, LEU122D, LEU30C, LEU30D, LEU36C, LEU36D, LEU43C, LEU43D, LEU44C, LEU44D, LEU56C, LEU56D, LEU57C, LEU57D, LYS119C, LYS119D, LYS58C, LYS58D, PHE54C, PHE54D, PRO41C, PRO41D, PRO49C, PRO49D, SER26C, SER26D, SER45C, SER45D, SER46C, SER46D, SER55C, SER55D, VAL121C, VAL121D, VAL62C, VAL62D, VAL64C, VAL64D