3IEB

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

• Total interactions analyzed: 10
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 62
  • Norm. En. per Res.: -3.1206
• 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	-23.1847	-46.5845	-273.94	-343.7092	126	9	17	11042	2	26	26
A-C	0.0	5.4183	-65.8871	-60.4688	42	1	1	2288	0	11	17
A-D	0.0	0.0	-0.0764	-0.0764	6	0	0	38	0	1	2
B-D	0.0	12.7564	-19.4283	-6.6719	37	1	0	1070	0	11	9
C-D	-20.2575	-47.9578	-125.26	-193.4753	62	5	5	5133	4	8	10
C-E	-24.2238	-42.7702	-276.552	-343.5459	125	5	17	10968	2	26	27

Interface residues

• A-B: ALA122A, 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, GLN120A, GLN120B, GLN12A, GLN12B, GLU112A, GLU112B, GLU142A, GLU142B, GLU42A, GLU42B, 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, THR169B, THR36A, THR36B, THR65A, THR65B, THR66A, THR66B, THR85A, THR85B, THR94A, THR94B, TRP117A, TRP117B, TRP125A, TRP125B, TYR114A, TYR114B, VAL34A, VAL34B, VAL47A, VAL47B, VAL86A, VAL86B
• A-C: ALA102A, ALA197C, ALA203C, ALA204C, ALA205C, ALA26C, ALA76A, ALA79A, ARG207C, ARG212C, ARG74A, ASN106A, ASN24C, ASN56A, ASP103A, ASP211C, GLN200C, GLN201C, GLN209C, GLU104A, GLU198C, GLU208C, GLU78A, GLY107A, GLY196C, GLY199C, GLY80A, ILE210C, LEU105A, LEU206C, LYS100A, LYS3C, PHE77A, PRO215C, PRO55A, SER27C, SER48A, SER73A, THR202C, TYR28C, VAL101A, VAL25C
• A-D: ALA70A, ARG74A, HIS52D, ILE71A, LYS100A, PRO55D
• B-D: ALA18B, ALA193B, ALA195B, ALA197B, ALA20B, ALA26D, ARG192B, ARG207D, ASN14B, ASN24B, ASN53D, ASN56D, ASP11B, ASP17B, ASP30D, GLN12B, GLN200D, GLN201B, GLU198B, GLY191B, GLY196B, HIS54D, HIS57D, ILE58D, ILE6D, LEU194B, LYS186D, LYS3D, PRO4D, PRO55D, SER27D, THR16B, TRP83D, TYR28D, VAL21B, VAL29D, VAL31D
• C-D: ALA18C, ALA18D, ALA193C, ALA193D, ALA195C, ALA195D, ALA197C, ALA197D, ALA20C, ALA20D, ALA22C, ALA22D, ARG192C, ARG192D, ASN14C, ASN14D, ASN24C, ASN24D, ASN53C, ASN53D, ASP11C, ASP11D, ASP17C, ASP17D, GLN12C, GLN12D, GLU198C, GLU198D, GLU42C, GLY191C, GLY191D, GLY196C, GLY196D, GLY199C, GLY199D, HIS52C, HIS52D, ILE8C, ILE8D, LEU10C, LEU10D, LEU15C, LEU15D, LEU194C, LEU194D, LYS45C, LYS45D, SER23C, SER23D, THR13C, THR13D, THR16C, THR16D, THR49C, THR49D, TYR28C, VAL19C, VAL19D, VAL21C, VAL21D, VAL25C, VAL25D
• C-E: ALA141C, ALA141E, ALA39C, ALA39E, ALA41C, ALA41E, ALA46C, ALA46E, ALA70C, ALA70E, ALA76C, ALA76E, ALA79C, ALA79E, ALA88C, ALA88E, ALA89C, ALA89E, ALA90C, ALA90E, ALA93C, ALA93E, ALA96C, ALA96E, ALA97C, ALA97E, ARG139C, ARG139E, ARG192C, ARG192E, ARG74C, ARG74E, ASN116C, ASN116E, ASP11C, ASP11E, ASP121C, ASP121E, ASP140C, ASP140E, ASP62C, ASP62E, ASP67C, ASP67E, CYS61C, CYS61E, GLN120E, GLN12C, GLN12E, GLU112C, GLU112E, GLU142C, GLU142E, GLU42C, GLU42E, GLY115C, GLY115E, GLY35C, GLY35E, GLY43C, GLY43E, GLY68C, GLY68E, GLY69C, GLY69E, HIS136C, HIS136E, HIS91C, HIS91E, ILE113C, ILE113E, ILE37C, ILE37E, ILE71C, ILE71E, ILE92C, ILE92E, ILE95C, ILE95E, LEU143C, LEU143E, LEU38C, LEU38E, LEU72C, LEU72E, LYS45C, LYS45E, LYS64C, LYS64E, PHE40C, PHE40E, SER138C, SER138E, SER73C, SER73E, SER87C, SER87E, THR118C, THR118E, THR13C, THR13E, THR169C, THR169E, THR36C, THR36E, THR65C, THR65E, THR66C, THR66E, THR85C, THR85E, THR94C, THR94E, TRP117C, TRP117E, TRP125C, TRP125E, TYR114C, TYR114E, VAL34C, VAL34E, VAL47C, VAL47E, VAL86C, VAL86E