3RH7

crystal structure of a hypothetical oxidoreductase (sma0793) from sinorhizobium meliloti 1021 at 3.00 a resolution

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 259
  • Norm. En. per Res.: -4.0494
• 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	-119.546	18.4721	-936.481	-1037.5549	263	25	44	35429	0	33	37
A-C	0.0	0.0	-0.2134	-0.2134	5	0	0	42	0	2	0
A-D	-10.4505	-53.8101	-36.5608	-100.8214	32	3	0	1592	4	14	11
A-E	0.0	0.0	-3.9922	-3.9922	24	0	0	482	0	15	18
A-F	0.0	0.0	-0.0238	-0.0238	3	0	0	9	0	1	1
B-D	0.0	0.0	-9.5695	-9.5695	12	1	0	284	0	1	3
C-D	-135.5006	14.0791	-927.364	-1048.7856	259	27	44	35164	0	32	36
C-E	0.0	0.0	-0.3253	-0.3253	6	0	0	77	0	2	4
E-F	-116.0667	13.4076	-934.138	-1036.7971	262	26	44	35360	0	35	39

Interface residues

• A-B: ALA10A, ALA10B, ALA115A, ALA115B, ALA116A, ALA116B, ALA128A, ALA128B, ALA140A, ALA140B, ALA14A, ALA14B, ALA152A, ALA152B, ALA162A, ALA162B, ALA165A, ALA165B, ALA168A, ALA168B, ALA169A, ALA169B, ALA17A, ALA17B, ALA19A, ALA19B, ALA207A, ALA207B, ALA245A, ALA245B, ALA247A, ALA247B, ALA39A, ALA39B, ALA3A, ALA57A, ALA57B, ARG12A, ARG12B, ARG137A, ARG137B, ARG153A, ARG153B, ARG160A, ARG160B, ARG208A, ARG208B, ARG9A, ARG9B, ASN143A, ASN143B, ASN147A, ASN147B, ASN221A, ASN288A, ASN288B, ASN40A, ASN40B, ASN75A, ASN75B, ASP124A, ASP124B, ASP130A, ASP130B, ASP13A, ASP13B, ASP205A, ASP205B, ASP48A, ASP48B, ASP7A, ASP7B, CYS120A, CYS120B, CYS55A, CYS55B, GLN123A, GLN123B, GLN183A, GLN183B, GLU0A, GLU119A, GLU119B, GLU127A, GLU127B, GLU142A, GLU142B, GLU171A, GLU171B, GLU173A, GLU173B, GLU202A, GLU202B, GLU4A, GLU79A, GLU79B, GLY129A, GLY129B, GLY136A, GLY136B, GLY145A, GLY145B, GLY148A, GLY148B, GLY150A, GLY150B, GLY163A, GLY163B, GLY16A, GLY16B, GLY172A, GLY172B, GLY203A, GLY203B, GLY204A, GLY204B, GLY21A, GLY21B, GLY225A, GLY225B, GLY290A, GLY290B, HIS131A, HIS131B, HIS244A, HIS244B, ILE126A, ILE126B, ILE133A, ILE133B, ILE134A, ILE134B, ILE135A, ILE135B, ILE174A, ILE174B, ILE224A, ILE224B, ILE241A, ILE241B, ILE74A, ILE74B, LEU11A, LEU11B, LEU146A, LEU146B, LEU149A, LEU149B, LEU161A, LEU161B, LEU176A, LEU176B, LEU227A, LEU227B, LEU246A, LEU246B, LEU47A, LEU47B, LEU51A, LEU51B, LEU52A, LEU52B, LEU53A, LEU53B, LEU56A, LEU56B, LEU77A, LEU77B, LYS164A, LYS164B, LYS58A, LYS58B, PHE118A, PHE118B, PHE141A, PHE141B, PHE157A, PHE157B, PHE15A, PHE15B, PHE18A, PHE18B, PHE226A, PHE226B, PHE289A, PHE289B, PHE42A, PHE42B, PHE6A, PHE6B, PRO159A, PRO159B, PRO206A, PRO206B, PRO49A, PRO49B, PRO50A, PRO50B, PRO8A, PRO8B, SER144A, SER144B, SER167A, SER167B, SER248A, SER248B, SER41A, SER41B, SER44A, SER44B, SER46A, SER46B, SER78A, SER78B, THR139A, THR139B, THR158A, THR158B, THR209A, THR209B, THR20A, THR20B, THR223A, THR223B, THR23A, THR23B, THR2A, THR43A, THR43B, TRP117A, TRP117B, TYR151A, TYR151B, TYR243A, TYR243B, VAL114A, VAL114B, VAL132A, VAL132B, VAL138A, VAL138B, VAL166A, VAL166B, VAL170A, VAL170B, VAL201A, VAL201B, VAL222A, VAL222B, VAL22A, VAL22B, VAL230A, VAL230B, VAL24A, VAL24B, VAL45A, VAL45B, VAL54A, VAL54B, VAL5A, VAL5B, VAL76A, VAL76B
• A-C: ALA97A, ALA98A, GLU127C, LEU103A, VAL5C
• A-D: ALA97A, ARG102A, ARG105A, ARG137D, ARG71D, ASP100A, ASP106D, ASP113A, ASP124D, ASP94A, CYS120D, GLN123D, GLN81A, GLU142A, GLY104A, GLY136D, GLY70D, ILE110A, ILE125D, ILE135D, LEU103A, PHE111A, PHE96A, PRO49D, SER112A, SER121D, SER68D, THR139D, TRP101A, VAL114A, VAL138D, VAL99A
• A-E: ARG61A, ARG61E, ARG95A, ASN62A, ASP130E, GLU127E, GLU64A, GLU64E, GLU93A, GLY129E, LYS33A, LYS58A, LYS58E, PRO91A, SER59A, SER59E, SER60A, SER60E, SER65A, SER65E, SER68E, TYR63A, TYR63E, VAL92A
• A-F: ASP48F, GLU64A, TYR63A
• B-D: ALA30D, ALA31D, ASN221B, ASP249B, ASP29D, GLU215B, GLY219B, GLY32D, LEU220B, LYS33D, SER248B, VAL222B
• C-D: ALA10C, ALA10D, ALA115C, ALA115D, ALA116C, ALA116D, ALA128C, ALA128D, ALA140C, ALA140D, ALA14C, ALA14D, ALA152C, ALA152D, ALA162C, ALA162D, ALA165C, ALA165D, ALA168C, ALA168D, ALA169C, ALA169D, ALA17C, ALA17D, ALA19C, ALA19D, ALA207C, ALA207D, ALA245C, ALA245D, ALA247C, ALA247D, ALA39C, ALA39D, ALA57C, ALA57D, ARG12C, ARG12D, ARG137C, ARG137D, ARG153C, ARG153D, ARG160C, ARG160D, ARG208C, ARG208D, ARG9C, ARG9D, ASN143C, ASN143D, ASN147C, ASN147D, ASN221D, ASN288C, ASN288D, ASN40C, ASN40D, ASN75C, ASN75D, ASP124C, ASP124D, ASP130C, ASP130D, ASP13C, ASP13D, ASP205C, ASP205D, ASP48C, ASP48D, ASP7C, ASP7D, CYS120C, CYS120D, CYS55C, CYS55D, GLN123C, GLN123D, GLN183C, GLN183D, GLU119C, GLU119D, GLU127C, GLU127D, GLU142C, GLU142D, GLU171C, GLU171D, GLU173C, GLU173D, GLU202C, GLU202D, GLU79C, GLU79D, GLY129C, GLY129D, GLY136C, GLY136D, GLY145C, GLY145D, GLY148C, GLY148D, GLY150C, GLY150D, GLY163C, GLY163D, GLY16C, GLY16D, GLY172C, GLY172D, GLY203C, GLY203D, GLY204C, GLY204D, GLY21C, GLY21D, GLY225C, GLY225D, GLY290C, GLY290D, HIS131C, HIS131D, HIS244C, HIS244D, ILE126C, ILE126D, ILE133C, ILE133D, ILE134C, ILE134D, ILE135C, ILE135D, ILE174C, ILE174D, ILE224C, ILE224D, ILE241C, ILE241D, ILE74C, ILE74D, LEU11C, LEU11D, LEU146C, LEU146D, LEU149C, LEU149D, LEU161C, LEU161D, LEU176C, LEU176D, LEU227C, LEU227D, LEU246C, LEU246D, LEU47C, LEU47D, LEU51C, LEU51D, LEU52C, LEU52D, LEU53C, LEU53D, LEU56C, LEU56D, LEU77C, LEU77D, LYS164C, LYS164D, LYS58C, LYS58D, PHE118C, PHE118D, PHE141C, PHE141D, PHE157C, PHE157D, PHE15C, PHE15D, PHE18C, PHE18D, PHE226C, PHE226D, PHE289C, PHE289D, PHE42C, PHE42D, PHE6C, PHE6D, PRO159C, PRO159D, PRO206C, PRO206D, PRO49C, PRO49D, PRO50C, PRO50D, PRO8C, PRO8D, SER144C, SER144D, SER167C, SER167D, SER248C, SER248D, SER41C, SER41D, SER44C, SER44D, SER46C, SER46D, SER78C, SER78D, THR139C, THR139D, THR158C, THR158D, THR209C, THR209D, THR20C, THR20D, THR223C, THR223D, THR23C, THR23D, THR43C, THR43D, TRP117C, TRP117D, TYR151C, TYR151D, TYR243C, TYR243D, VAL114C, VAL114D, VAL132C, VAL132D, VAL138C, VAL138D, VAL166C, VAL166D, VAL170C, VAL170D, VAL201C, VAL201D, VAL222C, VAL222D, VAL22C, VAL22D, VAL230C, VAL230D, VAL24C, VAL24D, VAL45C, VAL45D, VAL54C, VAL54D, VAL5C, VAL5D, VAL76C, VAL76D
• C-E: ALA264E, ALA265E, ALA30C, GLU64C, SER65C, SER68C
• E-F: ALA10E, ALA10F, ALA115E, ALA115F, ALA116E, ALA116F, ALA128E, ALA128F, ALA140E, ALA140F, ALA14E, ALA14F, ALA152E, ALA152F, ALA162E, ALA162F, ALA165E, ALA165F, ALA168E, ALA168F, ALA169E, ALA169F, ALA17E, ALA17F, ALA19E, ALA19F, ALA207E, ALA207F, ALA245E, ALA245F, ALA247E, ALA247F, ALA39E, ALA39F, ALA3E, ALA57E, ALA57F, ARG12E, ARG12F, ARG137E, ARG137F, ARG153E, ARG153F, ARG160E, ARG160F, ARG208E, ARG208F, ARG9E, ARG9F, ASN143E, ASN143F, ASN147E, ASN147F, ASN221E, ASN221F, ASN288E, ASN288F, ASN40E, ASN40F, ASN75E, ASN75F, ASP124E, ASP124F, ASP130E, ASP130F, ASP13E, ASP13F, ASP205E, ASP205F, ASP48E, ASP48F, ASP7E, ASP7F, CYS120E, CYS120F, CYS55E, CYS55F, GLN123E, GLN123F, GLN183E, GLN183F, GLU119E, GLU119F, GLU127E, GLU127F, GLU142E, GLU142F, GLU171E, GLU171F, GLU173E, GLU173F, GLU202E, GLU202F, GLU4E, GLU79E, GLU79F, GLY129E, GLY129F, GLY136E, GLY136F, GLY145E, GLY145F, GLY148E, GLY148F, GLY150E, GLY150F, GLY163E, GLY163F, GLY16E, GLY16F, GLY172E, GLY172F, GLY203E, GLY203F, GLY204E, GLY204F, GLY21E, GLY21F, GLY225E, GLY225F, GLY290E, GLY290F, HIS131E, HIS131F, HIS244E, HIS244F, ILE126E, ILE126F, ILE133E, ILE133F, ILE134E, ILE134F, ILE135E, ILE135F, ILE174E, ILE174F, ILE224E, ILE224F, ILE241E, ILE241F, ILE74E, ILE74F, LEU11E, LEU11F, LEU146E, LEU146F, LEU149E, LEU149F, LEU161E, LEU161F, LEU176E, LEU176F, LEU227E, LEU227F, LEU246E, LEU246F, LEU47E, LEU47F, LEU51E, LEU51F, LEU52E, LEU52F, LEU53E, LEU53F, LEU56E, LEU56F, LEU77E, LEU77F, LYS164E, LYS164F, LYS58E, LYS58F, PHE118E, PHE118F, PHE141E, PHE141F, PHE157E, PHE157F, PHE15E, PHE15F, PHE18E, PHE18F, PHE226E, PHE226F, PHE289E, PHE289F, PHE42E, PHE42F, PHE6E, PHE6F, PRO159E, PRO159F, PRO206E, PRO206F, PRO49E, PRO49F, PRO50E, PRO50F, PRO8E, PRO8F, SER144E, SER144F, SER167E, SER167F, SER248E, SER248F, SER41E, SER41F, SER44E, SER44F, SER46E, SER46F, SER78E, SER78F, THR139E, THR139F, THR158E, THR158F, THR209E, THR209F, THR20E, THR20F, THR223E, THR223F, THR23E, THR23F, THR43E, THR43F, TRP117E, TRP117F, TYR151E, TYR151F, TYR243E, TYR243F, VAL114E, VAL114F, VAL132E, VAL132F, VAL138E, VAL138F, VAL166E, VAL166F, VAL170E, VAL170F, VAL201E, VAL201F, VAL222E, VAL222F, VAL22E, VAL22F, VAL230E, VAL230F, VAL24E, VAL24F, VAL45E, VAL45F, VAL54E, VAL54F, VAL5E, VAL5F, VAL76E, VAL76F