3JR2

x-ray crystal structure of the mg-bound 3-keto-l-gulonate-6-phosphate decarboxylase from vibrio cholerae o1 biovar el tor str. n16961

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 127
  • Norm. En. per Res.: -2.8977
• 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-B	-30.1489	-50.3402	-287.525	-368.0141	127	9	18	11443	3	27	27
A-C	0.0	0.0	-1.7367	-1.7367	11	0	0	193	0	4	2
B-C	0.0	-8.174	-37.515	-45.6891	39	2	0	2132	0	9	11
C-D	-28.5696	-34.8966	-278.183	-341.6492	127	10	16	11226	4	26	29

Interface residues

• A-B: ALA141A, ALA141B, ALA39A, ALA39B, ALA41A, ALA41B, ALA46A, ALA46B, ALA70A, ALA70B, ALA76A, ALA76B, ALA79A, ALA79B, ALA88A, ALA88B, ALA89A, ALA89B, ALA90A, ALA90B, ALA93A, ALA93B, ALA96A, ALA96B, ALA97A, ALA97B, ARG139A, ARG139B, ARG192A, ARG192B, ARG74A, ARG74B, ASN116A, ASN116B, ASP11A, ASP11B, ASP121A, ASP121B, ASP140A, ASP140B, ASP62A, ASP62B, ASP67A, ASP67B, CYS61A, CYS61B, CYS98A, GLN120A, GLN120B, GLN12A, GLN12B, GLU112A, GLU112B, GLU142A, GLU142B, GLU42A, GLU42B, GLU78B, GLY115A, GLY115B, GLY35A, GLY35B, GLY43A, GLY43B, GLY68A, GLY68B, GLY69A, GLY69B, HIS136A, HIS136B, HIS91A, HIS91B, ILE113A, ILE113B, ILE37A, ILE37B, ILE71A, ILE71B, ILE92A, ILE92B, ILE95A, ILE95B, LEU143A, LEU143B, LEU38A, LEU38B, LEU72A, LEU72B, LYS45A, LYS45B, LYS64A, LYS64B, PHE40A, PHE40B, SER138A, SER138B, SER73A, SER73B, SER87A, SER87B, THR118A, THR118B, THR13A, THR13B, THR169A, THR169B, THR36A, THR36B, THR65A, THR65B, THR66A, THR66B, THR85A, THR85B, THR94A, THR94B, TRP117A, TRP117B, TRP125A, TRP125B, TYR114A, TYR114B, VAL34A, VAL34B, VAL47A, VAL47B, VAL86B
• A-C: ALA161C, ARG157C, ASN14A, ASP154C, GLN120C, GLN158C, GLU42A, LYS123C, LYS155C, LYS45A, THR16A
• B-C: ALA161C, ALA18B, ALA20B, ALA22B, ALA46B, ARG157C, ARG212C, ASN14B, ASN24B, ASN53B, ASP17B, GLN158C, GLU165C, GLU181C, GLU42B, GLY163C, GLY182C, HIS52B, HIS54B, ILE183C, LEU15B, LEU162C, LEU50B, LYS184C, LYS186C, LYS45B, PHE180C, PHE213C, PRO215C, SER160C, SER23B, SER48B, THR131C, THR16B, THR2C, THR49B, TRP214C, VAL19B, VAL21B
• C-D: ALA141C, ALA141D, ALA39C, ALA39D, ALA41C, ALA41D, ALA46C, ALA46D, ALA70C, ALA70D, ALA76C, ALA76D, ALA79C, ALA79D, ALA88C, ALA88D, ALA89C, ALA89D, ALA90C, ALA90D, ALA93C, ALA93D, ALA96C, ALA96D, ALA97C, ALA97D, ARG137C, ARG139C, ARG139D, ARG192C, ARG192D, ARG74C, ARG74D, ASN116C, ASN116D, ASP11C, ASP11D, ASP121C, ASP121D, ASP140C, ASP140D, ASP62C, ASP62D, ASP67C, ASP67D, CYS61C, CYS61D, GLN120C, GLN120D, GLN12C, GLN12D, GLU112C, GLU112D, GLU142C, GLU142D, GLU42C, GLU42D, GLU78D, GLY115C, GLY115D, GLY35C, GLY35D, GLY43C, GLY43D, GLY68C, GLY68D, GLY69C, GLY69D, HIS136C, HIS136D, HIS91C, HIS91D, ILE113C, ILE113D, ILE37C, ILE37D, ILE71C, ILE71D, ILE92C, ILE92D, ILE95C, ILE95D, LEU143C, LEU143D, LEU38C, LEU38D, LEU72C, LEU72D, LYS45C, LYS45D, LYS64C, LYS64D, PHE40C, PHE40D, SER138C, SER138D, SER73C, SER73D, SER87C, SER87D, THR118C, THR118D, THR13C, THR13D, THR169D, THR36C, THR36D, THR65C, THR65D, THR66C, THR66D, THR85C, THR85D, THR94C, THR94D, TRP117C, TRP117D, TRP125C, TRP125D, TYR114C, TYR114D, VAL34C, VAL34D, VAL47C, VAL47D, VAL86C, VAL86D