3ON7

crystal structure of a putative oxygenase (so_2589) from shewanella oneidensis at 2.20 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 71
  • Norm. En. per Res.: -3.0448
• 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	-34.2491	-43.8613	-133.253	-211.3633	71	10	1	4664	4	41	47
A-C	-23.0781	11.3762	-22.9296	-34.6315	29	2	0	1220	0	8	4
A-D	-51.6531	48.121	-371.985	-375.5171	161	7	6	16073	3	109	85
B-C	-62.4603	39.4572	-399.572	-422.5751	174	7	6	17394	7	115	92
B-D	-24.4393	20.1594	-41.3198	-45.5997	47	2	0	1982	0	16	7
C-D	-35.9198	-45.8491	-134.414	-216.1829	71	11	1	4720	4	42	48

Interface residues

• A-B: ALA265A, ALA265B, ARG102A, ARG102B, ARG274A, ARG274B, ARG62A, ARG62B, ARG96A, ARG96B, ASN145A, ASN145B, ASN61A, ASN61B, ASP266A, ASP266B, ASP66A, ASP66B, GLU271B, GLU57A, GLU57B, GLU63A, GLU63B, GLY67A, GLY67B, GLY95A, GLY95B, HIS147A, HIS147B, HIS252A, HIS252B, HIS254A, HIS254B, HIS65A, HIS65B, ILE97A, ILE97B, LEU269A, LEU269B, LEU273A, LEU273B, LEU279A, LEU279B, LYS148A, LYS148B, PHE58A, PHE58B, PHE60A, PHE60B, PRO255A, PRO255B, PRO93A, PRO93B, SER146A, SER146B, SER256A, SER256B, SER267A, SER267B, THR264A, THR264B, THR64A, THR64B, TRP94A, TRP94B, TYR92A, TYR92B, VAL257A, VAL257B, VAL258A, VAL258B
• A-C: ARG274A, ARG274C, ARG62A, ARG62C, ASN56C, GLU57C, GLU63A, GLU63C, GLY277A, GLY277C, HIS147A, HIS147C, HIS65A, HIS65C, LEU276A, LEU276C, LEU279A, LEU279C, PHE60A, PHE60C, SER72A, SER72C, THR64A, THR64C, THR81A, TRP94A, TRP94C, VAL278A, VAL278C
• A-D: ALA167A, ALA170A, ALA170D, ALA171A, ALA171D, ALA172A, ALA172D, ALA194A, ALA194D, ALA265A, ALA265D, ALA71A, ALA71D, ARG152A, ARG152D, ARG169A, ARG169D, ARG262A, ARG262D, ARG272A, ARG272D, ARG274A, ARG274D, ARG62A, ARG62D, ASN177A, ASN177D, ASN234A, ASN61A, ASN61D, ASP175A, ASP175D, ASP196A, ASP196D, ASP215A, ASP215D, ASP222A, ASP222D, ASP66A, ASP66D, ASP84A, ASP84D, GLN218A, GLN218D, GLU163A, GLU164A, GLU174A, GLU174D, GLU219A, GLU219D, GLU261A, GLU261D, GLU271A, GLU271D, GLU275A, GLU275D, GLU63A, GLU63D, GLU87A, GLU87D, GLY166A, GLY166D, GLY197A, GLY197D, GLY223A, GLY223D, GLY277A, GLY277D, HIS147A, HIS147D, HIS173A, HIS173D, HIS252A, HIS252D, HIS65A, HIS65D, HIS80D, HIS90A, HIS90D, ILE168A, ILE168D, ILE176A, ILE176D, ILE73D, ILE85A, ILE85D, LEU150A, LEU150D, LEU154A, LEU154D, LEU259A, LEU259D, LEU269A, LEU269D, LEU273A, LEU273D, LEU276A, LEU276D, LEU279A, LEU279D, LYS148A, LYS148D, LYS193A, LYS193D, LYS195A, LYS195D, LYS83A, LYS83D, LYS86A, LYS86D, PHE250A, PHE250D, PHE60A, PHE60D, PHE69A, PHE69D, PRO255A, PRO255D, PRO70A, PRO70D, SER136A, SER198A, SER198D, SER229A, SER229D, SER256A, SER256D, SER260A, SER260D, SER267A, SER267D, SER72A, SER72D, THR149A, THR149D, THR264A, THR264D, THR64A, THR64D, THR81A, THR81D, TRP94A, TRP94D, TYR156A, TYR156D, TYR263A, TYR263D, TYR268A, TYR268D, TYR88A, TYR88D, TYR92A, TYR92D, VAL257A, VAL257D, VAL258A, VAL258D, VAL278A, VAL278D, VAL82A, VAL82D
• B-C: ALA133C, ALA167B, ALA170B, ALA170C, ALA171B, ALA171C, ALA172B, ALA172C, ALA194B, ALA194C, ALA265B, ALA265C, ALA71B, ALA71C, ALA77B, ARG152B, ARG152C, ARG169B, ARG169C, ARG262B, ARG262C, ARG272B, ARG272C, ARG274B, ARG274C, ARG62B, ARG62C, ASN177B, ASN177C, ASN234B, ASN234C, ASN61B, ASN61C, ASP175B, ASP175C, ASP196B, ASP196C, ASP215B, ASP215C, ASP222B, ASP222C, ASP66B, ASP66C, ASP84B, ASP84C, GLN218B, GLN218C, GLU163B, GLU163C, GLU164B, GLU164C, GLU174B, GLU174C, GLU219B, GLU219C, GLU261B, GLU261C, GLU271B, GLU271C, GLU275B, GLU275C, GLU63B, GLU63C, GLU75B, GLU87B, GLU87C, GLY166B, GLY166C, GLY197B, GLY197C, GLY223B, GLY223C, GLY277B, GLY277C, HIS147B, HIS147C, HIS173B, HIS173C, HIS252B, HIS252C, HIS65B, HIS65C, HIS80B, HIS90B, HIS90C, ILE137C, ILE168B, ILE168C, ILE176B, ILE176C, ILE73B, ILE85B, ILE85C, LEU150B, LEU150C, LEU154B, LEU154C, LEU259B, LEU259C, LEU269B, LEU269C, LEU273B, LEU273C, LEU276B, LEU276C, LEU279B, LEU279C, LYS134C, LYS148B, LYS148C, LYS193B, LYS193C, LYS195B, LYS195C, LYS78B, LYS83B, LYS83C, LYS86B, LYS86C, PHE135C, PHE250B, PHE250C, PHE60B, PHE60C, PHE69B, PHE69C, PRO138C, PRO255B, PRO255C, PRO70C, SER136B, SER136C, SER198B, SER198C, SER227B, SER227C, SER229B, SER229C, SER256B, SER256C, SER260B, SER260C, SER267B, SER267C, SER72B, SER74B, THR149B, THR149C, THR264B, THR264C, THR64B, THR64C, THR76B, THR81B, TRP94B, TRP94C, TYR156B, TYR156C, TYR263B, TYR263C, TYR268B, TYR268C, TYR88B, TYR88C, TYR92B, TYR92C, VAL257B, VAL257C, VAL258B, VAL258C, VAL278B, VAL278C, VAL82B, VAL82C
• B-D: ALA54D, ALA77B, ARG274B, ARG274D, ARG62B, ARG62D, ARG96B, ARG96D, ASN56B, ASN56D, GLU53D, GLU57B, GLU57D, GLU63B, GLU63D, GLU75B, GLY277B, GLY277D, GLY79B, HIS147B, HIS147D, HIS65B, HIS65D, HIS80B, HIS80D, ILE73B, ILE73D, LEU276B, LEU276D, LEU279B, LEU279D, LYS78B, PHE58B, PHE58D, PHE60B, PHE60D, PHE69B, SER72B, SER74B, THR64B, THR64D, THR76B, THR81D, TRP94B, TRP94D, VAL278B, VAL278D
• C-D: ALA265C, ALA265D, ARG102C, ARG102D, ARG274C, ARG274D, ARG62C, ARG62D, ARG96C, ARG96D, ASN145C, ASN145D, ASN61C, ASN61D, ASP266C, ASP266D, ASP66C, ASP66D, GLU271D, GLU57C, GLU57D, GLU63C, GLU63D, GLY67C, GLY67D, GLY95C, GLY95D, HIS147C, HIS147D, HIS252C, HIS252D, HIS254C, HIS254D, HIS65C, HIS65D, ILE97C, ILE97D, LEU269C, LEU269D, LEU273C, LEU273D, LEU279C, LEU279D, LYS148C, LYS148D, PHE58C, PHE58D, PHE60C, PHE60D, PRO255C, PRO255D, PRO93C, PRO93D, SER146C, SER146D, SER256C, SER256D, SER267C, SER267D, THR264C, THR264D, THR64C, THR64D, TRP94C, TRP94D, TYR92C, TYR92D, VAL257C, VAL257D, VAL258C, VAL258D