3A15

crystal structure of substrate-free form of aldoxime dehydratase (oxdre)

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 102
  • Norm. En. per Res.: -3.3973
• 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	-18.3542	-26.4333	-301.739	-346.5265	102	13	1	11605	8	42	48
A-C	-4.8849	80.5604	-49.1965	26.479	48	3	0	2331	0	29	49
B-D	0.0	4.7923	-17.3548	-12.5625	13	1	0	580	2	6	3
C-D	-12.8387	-20.3448	-285.693	-318.8765	99	7	1	11333	8	40	48

Interface residues

• A-B: ALA189A, ALA189B, ARG-3B, ARG13A, ARG13B, ARG176A, ARG176B, ARG17A, ARG17B, ARG18A, ARG18B, ARG291A, ARG291B, ARG301A, ARG301B, ARG308A, ARG308B, ASN213A, ASP185A, ASP21A, ASP21B, ASP287A, ASP287B, GLN188A, GLN188B, GLN288A, GLU177A, GLU177B, GLU290A, GLU290B, GLU294A, GLU294B, GLY170A, GLY170B, GLY173A, GLY173B, HIS169A, HIS169B, HIS296A, HIS296B, HIS299A, HIS299B, LEU15A, LEU15B, LEU286A, LEU286B, LEU289A, LEU300A, LEU300B, MET175A, MET175B, MET187A, MET187B, PHE27A, PHE27B, PHE303A, PHE303B, PHE307A, PHE307B, PRO20A, PRO20B, PRO25A, PRO25B, PRO26A, PRO26B, PRO297A, PRO297B, SER-1B, SER174A, SER174B, SER182A, SER190A, SER285A, SER293A, SER293B, SER295A, SER295B, THR14A, THR14B, THR16A, THR16B, THR184A, THR22A, THR22B, THR24A, THR24B, THR298A, THR298B, THR304A, THR304B, THR305A, THR305B, TRP172A, TRP172B, TRP186A, TRP186B, TYR171A, TYR171B, TYR23A, TYR23B, VAL19A, VAL19B
• A-C: ALA34A, ALA34C, ALA37C, ARG317A, ARG317C, ARG33A, ARG33C, ASP151A, ASP151C, ASP160A, ASP160C, ASP225A, ASP225C, ASP35A, ASP35C, ASP36C, GLN149A, GLN149C, GLU150A, GLU150C, GLU165A, GLU165C, GLU227A, GLU227C, GLU2A, GLU2C, GLY161A, GLY161C, GLY164A, GLY164C, ILE162A, ILE162C, LEU152A, LEU152C, LYS315A, LYS315C, MET159A, MET159C, PHE148A, PHE148C, PRO28A, PRO28C, SER163A, SER163C, SER314A, SER314C, TRP30A, TRP30C
• B-D: ALA351B, ALA351D, ARG194B, ARG194D, GLU192B, GLU192D, GLU352B, GLU352D, ILE350B, ILE350D, THR349D, VAL348B, VAL348D
• C-D: ALA189C, ALA189D, ARG13C, ARG13D, ARG176C, ARG176D, ARG17C, ARG17D, ARG18C, ARG18D, ARG291C, ARG291D, ARG301C, ARG301D, ARG308C, ARG308D, ASP21C, ASP21D, ASP287C, ASP287D, GLN183C, GLN188C, GLN188D, GLN288C, GLU177C, GLU177D, GLU290C, GLU290D, GLU294C, GLU294D, GLY170C, GLY170D, GLY173C, GLY173D, HIS169D, HIS296C, HIS296D, HIS299C, HIS299D, LEU15C, LEU15D, LEU286C, LEU286D, LEU289C, LEU300C, LEU300D, MET175C, MET175D, MET187C, MET187D, PHE27C, PHE27D, PHE303C, PHE303D, PHE307C, PHE307D, PRO20C, PRO20D, PRO25C, PRO25D, PRO26C, PRO26D, PRO297C, PRO297D, SER174C, SER174D, SER182C, SER182D, SER190C, SER285C, SER293C, SER293D, SER295C, SER295D, THR14C, THR14D, THR16C, THR16D, THR184C, THR22C, THR22D, THR24C, THR24D, THR298C, THR298D, THR304C, THR304D, THR305C, THR305D, TRP172C, TRP172D, TRP186C, TRP186D, TYR171C, TYR171D, TYR23C, TYR23D, VAL19C, VAL19D