2NTL

crystal structure of puro/aicar from methanothermobacter thermoautotrophicus

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 71
  • Norm. En. per Res.: -5.7872
• 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	-126.4213	-95.1553	-176.339	-397.9156	70	11	6	6981	8	12	15
A-C	-27.8001	-32.0681	-58.5532	-118.4213	33	6	0	2725	4	6	6
A-D	-58.5622	-77.1218	-156.802	-292.4859	106	4	6	7566	7	37	44
B-C	-57.3228	-82.2579	-153.535	-293.1156	104	6	4	7150	6	36	42
B-D	-32.5512	-33.298	-64.2086	-130.0578	33	9	1	2832	4	6	6
C-D	-135.0385	-94.7652	-181.085	-410.8887	71	11	6	7040	8	12	15

Interface residues

• A-B: ALA100A, ALA100B, ALA122A, ALA122B, ALA129A, ALA129B, ALA93A, ALA93B, ARG112A, ARG112B, ARG136A, ARG136B, ARG91A, ARG91B, ASN109A, ASN89A, ASN89B, ASP102A, ASP102B, ASP130A, ASP130B, ASP92A, ASP92B, GLU121A, GLU121B, GLY125A, GLY125B, GLY131A, GLY131B, GLY95A, GLY95B, ILE124A, ILE124B, ILE126A, ILE126B, ILE94A, ILE94B, LEU132A, LEU132B, LEU96A, LEU96B, LEU98A, LEU98B, LEU99A, LEU99B, LYS105A, LYS105B, MET101A, MET101B, MET133A, MET133B, MET88A, MET88B, PHE123A, PHE123B, PRO111A, SER135A, SER135B, SER97A, SER97B, THR128A, THR128B, TYR103A, TYR103B, VAL127A, VAL127B, VAL134A, VAL134B, VAL137A, VAL137B
• A-C: ALA100A, ALA100C, ALA85A, ALA85C, ALA93A, ALA93C, ARG136C, ARG91A, ARG91C, ASN89A, ASN89C, ASP82A, ASP82C, ASP92A, ASP92C, GLU121A, GLU121C, GLY87A, GLY87C, LEU86A, LEU86C, LEU90A, LEU90C, LEU96A, LEU96C, LEU99A, LEU99C, LYS83A, LYS83C, MET88A, MET88C, VAL84A, VAL84C
• A-D: ALA100A, ALA100D, ALA129A, ALA129D, ALA40A, ALA40D, ALA58A, ALA58D, ALA81A, ALA81D, ALA85A, ALA85D, ALA93A, ALA93D, ARG112A, ARG112D, ARG30A, ARG30D, ARG38A, ARG38D, ARG49A, ARG49D, ARG53A, ARG53D, ARG63A, ARG63D, ASN54A, ASN54D, ASN60A, ASN60D, ASP102A, ASP102D, ASP50A, ASP50D, ASP78A, ASP78D, ASP82A, ASP82D, GLN35A, GLN35D, GLU104A, GLU104D, GLU45A, GLU45D, GLU48A, GLU48D, GLY46A, GLY46D, GLY95A, GLY95D, HIS47A, HIS47D, HIS76A, HIS76D, ILE57A, ILE57D, ILE80A, ILE80D, LEU132A, LEU132D, LEU86A, LEU86D, LEU96A, LEU96D, LEU98A, LEU98D, LEU99A, LEU99D, LYS105A, LYS105D, LYS83A, LYS83D, MET101A, MET101D, MET88A, MET88D, PHE52A, PHE52D, PRO43A, PRO43D, PRO55A, PRO55D, SER75A, SER75D, SER97A, SER97D, THR128A, THR128D, THR79A, THR79D, TYR103A, TYR103D, TYR56A, TYR56D, TYR59A, TYR59D, VAL127A, VAL127D, VAL41A, VAL41D, VAL42A, VAL42D, VAL44A, VAL44D, VAL51A, VAL51D
• B-C: ALA100B, ALA100C, ALA129B, ALA129C, ALA40B, ALA40C, ALA58B, ALA58C, ALA81B, ALA81C, ALA85B, ALA85C, ALA93B, ALA93C, ARG112B, ARG112C, ARG38B, ARG38C, ARG49B, ARG49C, ARG53B, ARG53C, ARG63B, ARG63C, ASN54B, ASN54C, ASN60B, ASN60C, ASP102B, ASP102C, ASP50B, ASP50C, ASP78B, ASP78C, ASP82B, ASP82C, GLN35B, GLN35C, GLU104B, GLU104C, GLU45B, GLU45C, GLU48B, GLU48C, GLY46B, GLY46C, GLY95B, GLY95C, HIS47B, HIS47C, HIS76B, HIS76C, ILE57B, ILE57C, ILE80B, ILE80C, LEU132B, LEU132C, LEU86B, LEU86C, LEU96B, LEU96C, LEU98B, LEU98C, LEU99B, LEU99C, LYS105B, LYS105C, LYS83B, LYS83C, MET101B, MET101C, MET88B, MET88C, PHE52B, PHE52C, PRO43B, PRO43C, PRO55B, PRO55C, SER75B, SER75C, SER97B, SER97C, THR128B, THR128C, THR79B, THR79C, TYR103B, TYR103C, TYR56B, TYR56C, TYR59B, TYR59C, VAL127B, VAL127C, VAL41B, VAL41C, VAL42B, VAL42C, VAL44B, VAL44C, VAL51B, VAL51C
• B-D: ALA100B, ALA100D, ALA85B, ALA85D, ALA93B, ALA93D, ARG136B, ARG91B, ARG91D, ASN89B, ASN89D, ASP82B, ASP82D, ASP92B, ASP92D, GLU121B, GLU121D, GLY87B, GLY87D, LEU86B, LEU86D, LEU90B, LEU90D, LEU96B, LEU96D, LEU99B, LEU99D, LYS83B, LYS83D, MET88B, MET88D, VAL84B, VAL84D
• C-D: ALA100C, ALA100D, ALA122C, ALA122D, ALA129C, ALA129D, ALA93C, ALA93D, ARG112C, ARG112D, ARG136C, ARG136D, ARG91C, ARG91D, ASN109C, ASN109D, ASN89C, ASN89D, ASP102C, ASP102D, ASP130C, ASP130D, ASP92C, ASP92D, GLU121C, GLU121D, GLY125C, GLY125D, GLY131C, GLY131D, GLY95C, GLY95D, ILE124C, ILE124D, ILE126C, ILE126D, ILE94C, ILE94D, LEU132C, LEU132D, LEU96C, LEU96D, LEU98C, LEU98D, LEU99C, LEU99D, LYS105C, LYS105D, MET101C, MET101D, MET133C, MET133D, MET88C, MET88D, PHE123C, PHE123D, PRO111C, SER135C, SER135D, SER97C, SER97D, THR128C, THR128D, TYR103C, TYR103D, VAL127C, VAL127D, VAL134C, VAL134D, VAL137C, VAL137D