3L2H

crystal structure of putative sugar phosphate isomerase (afe_0303) from acidithiobacillus ferrooxidans atcc 23270 at 1.85 a resolution

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 69
  • Norm. En. per Res.: -5.8645
• Hub Node: A(2)

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-C	-103.744	36.3927	-337.299	-404.6503	69	27	7	11950	3	40	36
A-D	-161.5963	0.5142	-459.021	-620.103	147	21	31	18076	0	44	35
B-C	-155.5034	-1.0741	-449.88	-606.4575	141	21	31	18081	0	45	35
B-D	-91.9497	32.7906	-325.869	-385.0281	71	18	6	11776	2	41	39

Interface residues

• A-C: ALA150A, ALA150C, ARG136A, ARG136C, ARG139A, ARG139C, ARG153A, ARG153C, ARG156A, ARG156C, ASN140A, ASN140C, ASN141A, ASN141C, ASN145A, ASN145C, ASP124A, ASP124C, ASP126A, ASP126C, ASP129A, ASP148A, ASP148C, ASP151A, ASP151C, GLN125A, GLN125C, GLU143A, GLU143C, GLU157A, GLU157C, GLY142A, GLY142C, HIS100A, HIS100C, HIS65A, HIS65C, ILE152A, ILE152C, LEU123A, LEU123C, LEU137A, LEU137C, LEU146A, LEU146C, LEU155A, LEU155C, LEU25A, LEU25C, LYS135A, LYS135C, PHE24A, PHE24C, PRO158C, TRP144A, TRP144C, TYR130A, TYR130C, TYR138A, TYR138C, TYR66A, TYR66C, VAL127A, VAL127C, VAL128C, VAL147A, VAL147C, VAL154A, VAL154C
• A-D: ALA101A, ALA101D, ALA102A, ALA102D, ALA103A, ALA103D, ALA10A, ALA10D, ALA39A, ALA39D, ALA70A, ALA70D, ALA90A, ALA90D, ARG122A, ARG122D, ARG43A, ARG43D, ARG4A, ARG4D, ASN84A, ASN84D, ASP2A, ASP2A9, ASP2D, ASP38A, ASP38D, ASP85A, ASP85D, ASP93A, ASP93D, CB8.4038027.67408, CYS116A, CYS99A, CYS99D, GLN11A, GLN11D, GLN121A, GLN121D, GLN86A, GLN86D, GLU12A, GLU12D, GLU67A, GLU67D, GLU68A, GLU68D, GLU69A, GLU69D, GLU83A, GLU83D, GLY0A, GLY120A, GLY120D, GLY37A, GLY37D, GLY41A, GLY41D, GLY46A, GLY46D, GLY92A, GLY92D, GLY96A, GLY96D, HIS100A, HIS100D, HIS104A, HIS104D, HIS44A, HIS44D, HIS48A, HIS48D, HIS65A, HIS65D, ILE106A, ILE106D, ILE119A, ILE119D, ILE13A, ILE13D, ILE47A, ILE47D, ILE89A, ILE89D, LEU117A, LEU117D, LEU123A, LEU123D, LEU36A, LEU36D, LEU42A, LEU42D, LEU49A, LEU49D, LEU63A, LEU63D, LEU6A, LEU6D, LEU74A, LEU74D, LEU7A, LEU7D, LEU80A, LEU80D, LEU8A, LEU8D, LYS5A, LYS5D, PHE94A, PHE94D, PHE97A, PHE97D, PRO88A, PRO88D, PRO91A, PRO91D, PRO98A, PRO98D, SER14A, SER14D, SER35A, SER35D, THR3A, THR3D, THR81A, THR9A, THR9D, TYR61A, TYR61D, TYR66A, TYR66D, TYR72A, TYR72D, TYR87A, TYR87D, VAL115A, VAL115D, VAL118A, VAL118D, VAL40A, VAL40D, VAL71A, VAL71D, VAL73A, VAL73D, VAL95A, VAL95D
• B-C: ALA101B, ALA101C, ALA102B, ALA102C, ALA103B, ALA103C, ALA10B, ALA10C, ALA39B, ALA39C, ALA70B, ALA70C, ALA90B, ALA90C, ARG122B, ARG122C, ARG43B, ARG43C, ARG4B, ARG4C, ASN84B, ASN84C, ASP2B, ASP2C, ASP38B, ASP38C, ASP85B, ASP85C, ASP93B, ASP93C, CYS99B, CYS99C, GLN11B, GLN11C, GLN121B, GLN121C, GLN86B, GLN86C, GLU12B, GLU12C, GLU67B, GLU67C, GLU68B, GLU68C, GLU69B, GLU69C, GLU83B, GLU83C, GLY0B, GLY120B, GLY120C, GLY37B, GLY37C, GLY41B, GLY41C, GLY46B, GLY46C, GLY92B, GLY92C, GLY96B, GLY96C, HIS100B, HIS100C, HIS104B, HIS104C, HIS44B, HIS44C, HIS48B, HIS48C, ILE106B, ILE106C, ILE119B, ILE119C, ILE13B, ILE13C, ILE47B, ILE47C, ILE89B, ILE89C, LEU117B, LEU117C, LEU123B, LEU123C, LEU36B, LEU36C, LEU42B, LEU42C, LEU49B, LEU49C, LEU63B, LEU6B, LEU6C, LEU74B, LEU74C, LEU7B, LEU7C, LEU80B, LEU80C, LEU8B, LEU8C, LYS5B, LYS5C, PHE94B, PHE94C, PHE97B, PHE97C, PRO88B, PRO88C, PRO91B, PRO91C, PRO98B, PRO98C, SER14B, SER14C, SER35B, SER35C, THR3B, THR3C, THR81B, THR9B, THR9C, TYR61B, TYR61C, TYR66B, TYR66C, TYR72B, TYR72C, TYR87B, TYR87C, VAL115B, VAL115C, VAL118B, VAL118C, VAL40B, VAL40C, VAL71B, VAL71C, VAL73B, VAL73C, VAL95B, VAL95C
• B-D: ALA150B, ALA150D, ARG136B, ARG136D, ARG139B, ARG139D, ARG153B, ARG153D, ARG156B, ARG156D, ASN140B, ASN140D, ASN141B, ASN141D, ASN145B, ASN145D, ASP124B, ASP124D, ASP126B, ASP126D, ASP129B, ASP129D, ASP148B, ASP148D, ASP151B, ASP151D, GLN125B, GLN125D, GLN133B, GLU143B, GLU143D, GLU157B, GLU157D, GLY142B, GLY142D, HIS100B, HIS100D, HIS65B, HIS65D, ILE152B, ILE152D, LEU123B, LEU123D, LEU137B, LEU137D, LEU146B, LEU146D, LEU155B, LEU155D, LEU25B, LEU25D, LYS135B, LYS135D, PHE24B, PHE24D, PRO158B, TRP144B, TRP144D, TYR130B, TYR130D, TYR138B, TYR138D, TYR66B, TYR66D, VAL127B, VAL127D, VAL128D, VAL147B, VAL147D, VAL154B, VAL154D