3PNX

crystal structure of a putative sulfurtransferase dsre (swol_2425) from syntrophomonas wolfei str. goettingen at 1.92 a resolution

• Total interactions analyzed: 15
• Total true interactions: 15
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 108
  • Norm. En. per Res.: -2.2472
• Hub Node: A(5)

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	-13.2234	0.6215	-230.093	-242.6949	108	5	17	10350	2	26	26
A-C	-15.5694	24.087	-219.446	-210.9283	105	4	17	9936	1	25	24
A-D	0.0	0.0	-0.2768	-0.2768	7	0	0	66	0	0	0
A-E	0.0	0.0	-38.7771	-38.7771	24	2	3	1906	0	0	0
A-F	0.0	0.0	-33.1906	-33.1906	40	2	2	1808	0	9	6
B-C	-11.7531	24.0473	-220.607	-208.3128	103	2	17	10023	1	25	24
B-D	0.0	0.0	-32.976	-32.976	42	1	2	2076	0	8	4
B-E	0.0	0.0	-0.2346	-0.2346	8	0	0	80	0	0	0
B-F	0.0	0.0	-61.2769	-61.2769	28	4	4	2578	0	0	0
C-D	0.0	0.0	-45.5596	-45.5596	26	2	4	1957	0	0	0
C-E	0.0	0.0	-20.9854	-20.9854	38	1	2	1629	0	9	6
C-F	0.0	0.0	-0.0464	-0.0464	6	0	0	23	0	0	0
D-E	-12.0736	26.1458	-227.112	-213.0398	106	3	17	10286	1	24	25
D-F	-9.9082	-5.909	-227.172	-242.9892	111	3	17	10510	1	27	25
E-F	-12.3498	26.7012	-143.801	-129.4496	105	8	17	10273	1	25	25

Interface residues

• A-B: ALA100A, ALA150B, ALA18A, ALA20A, ALA25A, ALA27A, ALA28A, ALA40B, ARG29A, ASN149B, ASN26A, ASN3A, ASN7A, ASN7B, ASN82A, ASP142B, ASP14A, ASP14B, ASP154A, ASP154B, ASP16A, GLN121B, GLN156A, GLN156B, GLN63B, GLU125B, GLU145B, GLU152B, GLU2A, GLU30A, GLU32A, GLU34A, GLU62B, GLU93A, GLU97A, GLU98A, GLY0A, GLY128B, GLY13B, GLY43B, GLY87A, ILE126B, ILE159A, ILE159B, ILE23A, ILE24A, ILE33A, ILE86A, LEU106A, LEU10A, LEU122B, LEU147B, LEU151B, LEU155A, LEU155B, LEU157A, LEU157B, LEU19A, LEU22A, LEU45B, LEU60B, LEU76B, LEU78A, LEU78B, LEU8A, LEU8B, LEU91A, LEU92A, LEU9B, LYS113A, LYS144B, LYS148B, LYS17A, LYS17B, LYS4A, LYS5A, LYS80A, LYS88A, LYS89A, LYS96A, LYS99A, PHE11B, PHE158A, PHE158B, PHE38B, PHE41B, PHE65B, PRO101A, PRO70B, PRO77B, SER123B, SER12A, SER12B, SER153A, SER153B, SER21A, SER59B, SER79A, SER79B, THR69B, TRP42B, TYR146B, TYR15A, TYR15B, TYR61B, VAL124B, VAL143B, VAL35A
• A-C: ALA100C, ALA150A, ALA18C, ALA20C, ALA25C, ALA27C, ALA28C, ALA40A, ARG29C, ASN149A, ASN26C, ASN3C, ASN7A, ASN7C, ASN82C, ASP142A, ASP14A, ASP14C, ASP154A, ASP154C, ASP16C, GLN121A, GLN156A, GLN156C, GLN63A, GLU125A, GLU145A, GLU152A, GLU30C, GLU32C, GLU34C, GLU62A, GLU93C, GLU97C, GLU98C, GLY128A, GLY13A, GLY87C, ILE126A, ILE159A, ILE159C, ILE23C, ILE24C, ILE33C, ILE86C, LEU106C, LEU10C, LEU122A, LEU147A, LEU151A, LEU155A, LEU155C, LEU157A, LEU157C, LEU19C, LEU22C, LEU45A, LEU60A, LEU76A, LEU78C, LEU8A, LEU8C, LEU91C, LEU92C, LEU9A, LEU9C, LYS113C, LYS144A, LYS148A, LYS17A, LYS17C, LYS4C, LYS58A, LYS5C, LYS80C, LYS88C, LYS89C, LYS96C, LYS99C, PHE11A, PHE158A, PHE158C, PHE38A, PHE41A, PHE65A, PRO101C, PRO70A, PRO77A, SER123A, SER12A, SER12C, SER153A, SER153C, SER21C, SER59A, SER79A, SER79C, THR69A, TRP42A, TYR146A, TYR15C, TYR61A, VAL124A, VAL143A, VAL35C
• A-D: ASN82A, GLY84A, GLY87A, LEU83A, LEU83D, LYS80A, LYS80D
• A-E: ALA64A, ALA64E, ARG71A, ARG71E, GLN55A, GLN55E, GLN63A, GLN63E, GLU62A, LEU60A, LEU60E, LEU68A, LEU68E, LYS58E, PHE65A, PHE65E, SER59A, SER59E, SER66A, SER67A, SER67E, THR69A, TYR61A, TYR61E
• A-F: ALA64F, ARG71A, ARG71F, ASN82A, ASN82F, GLU75A, GLU75F, GLU93A, GLU93F, GLY84A, GLY84F, GLY85A, GLY85F, GLY87A, GLY87F, ILE86A, ILE86F, LEU45F, LEU68A, LEU68F, LEU76F, LEU78A, LEU78F, LEU83A, LEU83F, LEU91A, LEU91F, LYS88A, LYS88F, LYS89A, LYS89F, PHE65F, PRO70A, PRO70F, PRO77A, PRO77F, SER67A, SER67F, THR69A, THR69F
• B-C: ALA100B, ALA150C, ALA18B, ALA20B, ALA25B, ALA27B, ALA28B, ALA40C, ARG29B, ASN149C, ASN26B, ASN7B, ASN7C, ASN82B, ASP142C, ASP14B, ASP14C, ASP154B, ASP154C, ASP16B, GLN121C, GLN156B, GLN156C, GLU125C, GLU145C, GLU152C, GLU30B, GLU32B, GLU62C, GLU93B, GLU97B, GLU98B, GLY128C, GLY13C, GLY87B, ILE126C, ILE159B, ILE159C, ILE23B, ILE24B, ILE33B, ILE86B, LEU106B, LEU10B, LEU122C, LEU147C, LEU151C, LEU155B, LEU155C, LEU157B, LEU157C, LEU19B, LEU22B, LEU45C, LEU60C, LEU68C, LEU76C, LEU78B, LEU78C, LEU83B, LEU8B, LEU8C, LEU91B, LEU92B, LEU9C, LYS113B, LYS144C, LYS148C, LYS17B, LYS17C, LYS4B, LYS58C, LYS5B, LYS80B, LYS88B, LYS89B, LYS96B, LYS99B, PHE11C, PHE158B, PHE158C, PHE38C, PHE41C, PHE65C, PRO101B, PRO70C, PRO77C, SER123C, SER12B, SER12C, SER153B, SER153C, SER21B, SER59C, SER79B, SER79C, TRP42C, TYR146C, TYR15B, TYR61C, VAL124C, VAL143C, VAL35B
• B-D: ALA64B, ARG48B, ARG71B, ARG71D, ASN82B, ASN82D, GLU75B, GLU75D, GLU93B, GLU93D, GLY84B, GLY84D, GLY85B, GLY85D, GLY87B, GLY87D, ILE86B, ILE86D, LEU45B, LEU68B, LEU68D, LEU76B, LEU78B, LEU78D, LEU83B, LEU83D, LEU91B, LEU91D, LYS88B, LYS88D, LYS89B, LYS89D, PHE65B, PRO70B, PRO70D, PRO77B, PRO77D, SER66B, SER67B, SER67D, THR69B, THR69D
• B-E: ASN82B, ASN82E, GLY87E, ILE86E, LEU83B, LEU83E, LYS80B, LYS80E
• B-F: ALA64B, ALA64F, ARG71B, ARG71F, GLN55B, GLN55F, GLN63B, GLN63F, GLU62B, GLU62F, LEU60B, LEU60F, LEU68B, LEU68F, LYS58B, LYS58F, PHE65B, PHE65F, SER59B, SER59F, SER66B, SER66F, SER67B, SER67F, THR69B, THR69F, TYR61B, TYR61F
• C-D: ALA64C, ALA64D, ARG71C, ARG71D, GLN55C, GLN55D, GLN63C, GLN63D, GLU62C, LEU60C, LEU60D, LEU68C, LEU68D, LYS58C, PHE65C, PHE65D, SER59C, SER59D, SER66C, SER66D, SER67C, SER67D, THR69C, THR69D, TYR61C, TYR61D
• C-E: ARG71C, ARG71E, ASN82C, ASN82E, GLU75C, GLU75E, GLU93C, GLU93E, GLY84C, GLY84E, GLY85C, GLY85E, GLY87C, GLY87E, ILE86C, ILE86E, LEU68C, LEU68E, LEU76C, LEU76E, LEU78C, LEU78E, LEU83C, LEU83E, LEU91C, LEU91E, LYS88C, LYS88E, LYS89C, LYS89E, PRO70C, PRO70E, PRO77C, PRO77E, SER67C, SER67E, THR69C, THR69E
• C-F: ASN82F, GLY87F, ILE86F, LEU83C, LEU83F, LYS80F
• D-E: ALA100E, ALA150D, ALA18E, ALA20E, ALA25E, ALA27E, ALA28E, ALA40D, ARG29E, ASN149D, ASN26E, ASN3E, ASN7D, ASN7E, ASN82E, ASP142D, ASP14D, ASP14E, ASP154D, ASP154E, ASP16E, GLN121D, GLN156D, GLN156E, GLN63D, GLU125D, GLU145D, GLU152D, GLU30E, GLU32E, GLU34E, GLU62D, GLU93E, GLU97E, GLU98E, GLY128D, GLY13D, GLY43D, GLY87E, ILE126D, ILE159D, ILE159E, ILE23E, ILE24E, ILE33E, ILE86E, LEU106E, LEU10E, LEU122D, LEU147D, LEU151D, LEU155D, LEU155E, LEU157D, LEU157E, LEU19E, LEU22E, LEU45D, LEU60D, LEU76D, LEU78D, LEU78E, LEU8D, LEU8E, LEU91E, LEU92E, LEU9D, LYS113E, LYS144D, LYS148D, LYS17D, LYS17E, LYS4E, LYS5E, LYS80E, LYS88E, LYS89E, LYS96E, LYS99E, PHE11D, PHE158D, PHE158E, PHE38D, PHE41D, PHE65D, PRO101E, PRO70D, PRO77D, SER123D, SER12D, SER12E, SER153D, SER153E, SER21E, SER59D, SER79D, SER79E, THR69D, TRP42D, TYR146D, TYR15D, TYR15E, TYR61D, VAL124D, VAL143D, VAL35E
• D-F: ALA100D, ALA150F, ALA18D, ALA20D, ALA25D, ALA27D, ALA28D, ALA40F, ARG29D, ASN149F, ASN26D, ASN7D, ASN7F, ASN82D, ASP142F, ASP14D, ASP14F, ASP154D, ASP154F, ASP16D, GLN121F, GLN156D, GLN156F, GLN63F, GLU125F, GLU145F, GLU152F, GLU2D, GLU30D, GLU32D, GLU34D, GLU62F, GLU75F, GLU93D, GLU97D, GLU98D, GLY0D, GLY128F, GLY13F, GLY43F, GLY87D, ILE126F, ILE159D, ILE159F, ILE23D, ILE24D, ILE33D, ILE86D, LEU106D, LEU10D, LEU122F, LEU147F, LEU151F, LEU155D, LEU155F, LEU157D, LEU157F, LEU19D, LEU22D, LEU45F, LEU60F, LEU68F, LEU76F, LEU78D, LEU78F, LEU83D, LEU8D, LEU8F, LEU91D, LEU92D, LEU9F, LYS113D, LYS144F, LYS148F, LYS17D, LYS17F, LYS4D, LYS58F, LYS5D, LYS80D, LYS88D, LYS89D, LYS96D, LYS99D, PHE11F, PHE158D, PHE158F, PHE38F, PHE41F, PHE65F, PRO101D, PRO70F, PRO77F, SER123F, SER12D, SER12F, SER153D, SER153F, SER21D, SER59F, SER79D, SER79F, THR69F, TRP42F, TYR146F, TYR15D, TYR15F, TYR61F, VAL124F, VAL143F, VAL35D
• E-F: ALA100F, ALA150E, ALA18F, ALA20F, ALA25F, ALA27F, ALA28F, ALA40E, ARG29F, ASN149E, ASN26F, ASN3F, ASN7E, ASN7F, ASN82F, ASP142E, ASP14E, ASP14F, ASP154E, ASP154F, ASP16F, GLN121E, GLN156E, GLN156F, GLN63E, GLU125E, GLU145E, GLU152E, GLU30F, GLU32F, GLU62E, GLU93F, GLU97F, GLU98F, GLY128E, GLY13E, GLY87F, ILE126E, ILE159E, ILE159F, ILE23F, ILE24F, ILE33F, ILE86F, LEU106F, LEU10F, LEU122E, LEU147E, LEU151E, LEU155E, LEU155F, LEU157E, LEU157F, LEU19F, LEU22F, LEU45E, LEU60E, LEU76E, LEU78E, LEU78F, LEU8E, LEU8F, LEU91F, LEU92F, LEU9E, LEU9F, LYS113F, LYS144E, LYS148E, LYS17E, LYS17F, LYS4F, LYS58E, LYS5F, LYS80F, LYS88F, LYS89F, LYS96F, LYS99F, PHE11E, PHE129E, PHE158E, PHE158F, PHE1F, PHE38E, PHE41E, PHE65E, PRO101F, PRO77E, SER123E, SER12E, SER12F, SER153E, SER153F, SER21F, SER59E, SER79E, SER79F, TRP42E, TYR146E, TYR15F, TYR61E, VAL124E, VAL143E, VAL35F