3UIE

crystal structure of adenosine 5'-phosphosulfate kinase from arabidopsis thaliana in complex with amppnp and aps

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 35
  • Norm. En. per Res.: -1.5374
• Hub Node: A(1)

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	-2.5438	-1.5046	-49.7605	-53.8089	35	2	0	1429	0	13	12
B-C	-47.8835	-58.9397	299.322	192.4988	147	23	13	19934	7	40	73

Interface residues

• A-B: ASN244B, ASN270A, ASN270B, ASP269A, ASP269B, GLN275A, GLN275B, GLU197B, GLU246A, GLU246B, GLU252B, GLU259A, GLU262A, GLY266A, GLY266B, GLY272A, GLY272B, ILE247B, LEU268A, LEU268B, LEU274A, LYS100B, LYS128A, LYS263A, LYS263B, LYS271A, LYS271B, SER248B, TYR267A, TYR267B, TYR273B, VAL201B, VAL264A, VAL264B, VAL265A
• B-C: ALA118B, ALA118C, ALA120B, ALA120C, ALA166B, ALA166C, ALA170B, ALA170C, ALA172B, ALA172C, ALA190B, ALA190C, ARG141C, ARG146B, ARG146C, ARG160B, ARG160C, ARG161B, ARG161C, ARG93B, ARG93C, ARG95B, ARG95C, ASN122B, ASN122C, ASN139B, ASN139C, ASN145B, ASN145C, ASN158B, ASN158C, ASN80B, ASP136B, ASP136C, ASP138C, ASP147B, ASP147C, ASP171B, ASP171C, ASP92B, ASP92C, CYS119B, CYS119C, CYS132B, CYS132C, CYS176B, CYS86B, CYS86C, GLN123B, GLN123C, GLN127B, GLN127C, GLN94B, GLN94C, GLN99B, GLN99C, GLU157B, GLU157C, GLU164B, GLU164C, GLU85B, GLU89B, GLU89C, GLY113C, GLY129B, GLY129C, GLY137C, GLY143B, GLY143C, GLY163B, GLY163C, GLY173B, GLY173C, HIS142B, HIS142C, HIS84B, ILE134B, ILE134C, ILE174B, ILE174C, ILE229C, ILE81B, LEU117B, LEU117C, LEU121B, LEU121C, LEU125B, LEU125C, LEU131B, LEU131C, LEU135B, LEU135C, LEU144B, LEU144C, LEU148B, LEU148C, LEU168B, LEU168C, LEU194B, LEU194C, LEU220C, LEU223C, LEU96B, LEU96C, LEU97B, LEU97C, LYS114C, LYS128B, LYS128C, LYS130B, LYS130C, LYS167B, LYS167C, LYS218C, LYS82B, LYS90B, LYS90C, MET124B, MET124C, PHE150C, PHE169B, PHE169C, PHE232C, PRO217C, SER115B, SER115C, SER149C, SER179C, SER87B, SER87C, THR116B, THR116C, TRP83B, TYR126B, TYR126C, TYR133B, TYR133C, VAL140B, VAL140C, VAL162B, VAL162C, VAL165B, VAL165C, VAL88B, VAL88C, VAL91B, VAL91C