3SBX

crystal structure of a putative uncharacterized protein from mycobacterium marinum bound to adenosine 5'-monophosphate amp

• Total interactions analyzed: 28
• Total true interactions: 13
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 57
  • Norm. En. per Res.: -2.9707
• Hub Node: B(4)

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	-29.0809	54.8814	-406.792	-380.9914	150	9	11	16096	2	39	46
A-D	-15.9053	-29.2149	-124.207	-169.3272	57	5	2	5163	2	26	21
A-H	0.0	5.7903	-86.911	-81.1207	44	0	0	2980	0	25	26
B-D	0.0	0.561	-29.4771	-28.9161	37	0	0	1230	0	12	12
B-E	0.0	-17.5132	-11.268	-28.7812	16	0	0	712	1	3	7
B-F	-5.4589	-8.7401	-66.7612	-80.9603	41	1	1	2611	0	21	16
B-H	0.0	-17.8759	-7.7957	-25.6716	11	0	0	390	2	5	2
C-D	-42.3016	49.1217	-440.76	-433.9399	150	13	15	17269	3	34	44
C-G	0.0	-13.1142	-21.9617	-35.0759	30	1	0	1121	0	9	13
C-H	0.0	3.025	-12.0703	-9.0453	13	0	0	539	0	3	3
D-H	0.0	0.0	-0.0004	-0.0004	2	0	0	1	0	0	1
E-F	-19.0295	50.7349	-423.88	-392.1745	156	13	13	16542	3	35	44
G-H	-46.4668	57.5765	-437.666	-426.5564	153	17	14	16920	2	38	46

Interface residues

• A-B: ALA152A, ALA152B, ALA167A, ALA167B, ALA18A, ALA18B, ALA19A, ALA19B, ALA20A, ALA20B, ALA53A, ALA53B, ARG151A, ARG151B, ARG170B, ARG79A, ARG79B, ARG98A, ARG98B, ASP104A, ASP120A, ASP120B, ASP124A, ASP124B, ASP142A, ASP142B, ASP148A, ASP148B, ASP159A, CYS17A, CYS17B, GLN100A, GLN100B, GLU103A, GLU103B, GLU121A, GLU121B, GLU128A, GLU128B, GLU156A, GLU156B, GLU25A, GLU25B, GLU80A, GLU80B, GLU93B, GLU97A, GLU97B, GLY114A, GLY114B, GLY115A, GLY115B, GLY117A, GLY117B, GLY129A, GLY129B, GLY132A, GLY132B, GLY145A, GLY145B, GLY149A, GLY149B, GLY161A, GLY161B, HIS134A, HIS146A, HIS146B, HIS23A, HIS23B, LEU112A, LEU112B, LEU119A, LEU119B, LEU122A, LEU122B, LEU123A, LEU123B, LEU131A, LEU131B, LEU150A, LEU150B, LEU154A, LEU154B, LEU157A, LEU157B, LEU171A, LEU171B, LEU26A, LEU26B, LEU27B, LEU29B, LEU76A, LEU76B, LYS136A, LYS99A, LYS99B, MET102A, MET133A, MET133B, MET168A, MET168B, MET75A, MET75B, MET95A, MET95B, PHE109A, PHE147A, PHE147B, PRO113A, PRO113B, PRO21A, PRO21B, PRO24A, PRO73A, PRO73B, SER164A, SER164B, SER52B, THR118A, THR118B, THR127A, THR127B, THR160A, THR160B, THR166B, THR22A, THR22B, THR94A, THR94B, TRP126A, TRP126B, TRP144A, TRP144B, TRP153A, TRP153B, TRP96A, TRP96B, TYR130A, TYR130B, TYR162A, TYR162B, VAL101A, VAL101B, VAL116A, VAL116B, VAL125A, VAL125B, VAL140A, VAL163A, VAL163B
• A-D: ALA152D, ALA158D, ALA183D, ALA19A, ALA20A, ALA53A, ALA82A, ARG151D, ARG165D, ARG79A, ASN176D, ASP142D, ASP148D, ASP159D, ASP175D, ASP179D, GLU156D, GLU169D, GLU80A, GLY145D, GLY149D, GLY161D, HIS146D, HIS23A, HIS50A, HIS78A, HIS84A, ILE172D, LEU150D, LEU154D, LEU157D, LEU171D, LEU27A, LEU76A, LEU81A, LYS74A, MET168D, MET75A, MET95A, PHE147D, PRO143D, PRO21A, PRO24A, SER155D, SER164D, SER52A, THR160D, THR166D, THR22A, TRP144D, TRP153D, TYR162D, VAL163D, VAL173D, VAL174D, VAL51A, VAL77A
• A-H: ALA82H, ALA86H, ARG151A, ARG62H, ASN176A, ASP142A, ASP148A, ASP175A, ASP178A, ASP83H, ASP85H, GLU25A, GLU28A, GLU80H, GLY145A, GLY149A, GLY48H, GLY49H, HIS146A, HIS23A, HIS50H, HIS78H, HIS84H, ILE72H, LEU141A, LEU150A, LEU177A, LEU26A, LEU29A, LEU81H, LEU89H, PHE147A, PRO113A, PRO143A, PRO24A, SER52H, SER59H, THR22H, TRP144A, TRP46H, VAL174A, VAL51H, VAL77H, VAL91H
• B-D: ALA158B, ALA167B, ALA180D, ALA183D, ALA185D, ARG165B, ARG165D, ARG170D, ASN176D, ASP135B, ASP159B, ASP178D, ASP179D, CYS184D, GLN182D, GLU128B, GLU169D, GLY132B, GLY161B, HIS134B, ILE172D, LEU131B, LEU157B, LEU181D, MET133B, MET168B, PRO186D, SER137D, SER164B, THR160B, THR166B, THR166D, TYR130B, TYR162B, VAL163B, VAL173D, VAL174D
• B-E: ALA185B, ALA36B, ALA38B, ALA39B, ARG40B, GLN182B, GLU93E, GLU97E, GLY41B, LEU181B, LYS74E, MET95E, PRO186B, THR94E, TRP42B, TRP96E
• B-F: ALA106F, ALA32B, ALA35B, ALA36B, ALA38B, ALA39B, ALA60B, ALA61B, ALA63B, ARG105F, ARG40B, ARG62B, ARG98F, ASP104F, ASP87B, GLN100F, GLU103F, GLU88F, GLU93F, GLU97F, GLY41B, GLY65B, GLY66B, HIS64B, ILE37B, LEU177B, LEU89F, LYS136F, MET102F, MET133F, SER59B, THR92F, THR94F, TRP42B, TRP67B, TRP96F, VAL101F, VAL69F, VAL71F, VAL90F, VAL91F
• B-H: ARG79H, ASP159B, GLU156B, GLU80H, HIS78H, LEU157B, LEU81H, THR160B, TRP153B, TYR162B, VAL77H
• C-D: ALA152C, ALA152D, ALA158C, ALA158D, ALA167C, ALA167D, ALA18C, ALA18D, ALA19C, ALA19D, ALA20C, ALA20D, ALA53C, ALA53D, ARG151C, ARG151D, ARG79C, ARG79D, ARG98C, ARG98D, ASP104D, ASP120C, ASP120D, ASP124C, ASP124D, ASP142C, ASP142D, ASP148C, ASP148D, ASP159C, ASP159D, CYS17C, CYS17D, GLN100C, GLN100D, GLU103C, GLU103D, GLU121C, GLU121D, GLU128C, GLU128D, GLU156C, GLU156D, GLU25C, GLU25D, GLU80C, GLU80D, GLU97C, GLU97D, GLY114C, GLY114D, GLY115C, GLY115D, GLY117C, GLY117D, GLY129C, GLY129D, GLY132C, GLY132D, GLY145C, GLY145D, GLY149C, GLY149D, GLY161C, GLY161D, HIS134C, HIS134D, HIS146C, HIS146D, HIS23C, HIS23D, LEU112C, LEU112D, LEU119C, LEU119D, LEU122C, LEU122D, LEU123C, LEU123D, LEU131C, LEU131D, LEU150C, LEU150D, LEU154C, LEU154D, LEU157C, LEU157D, LEU171C, LEU171D, LEU26C, LEU26D, LEU27C, LEU27D, LEU76C, LEU76D, LYS74D, LYS99C, LYS99D, MET133C, MET133D, MET168C, MET168D, MET75C, MET75D, MET95C, MET95D, PHE147C, PHE147D, PRO113C, PRO113D, PRO21C, PRO21D, PRO24C, PRO73C, PRO73D, SER164C, SER164D, SER52C, SER52D, THR118C, THR118D, THR127C, THR127D, THR160C, THR160D, THR166C, THR166D, THR22C, THR22D, THR94C, THR94D, TRP126C, TRP126D, TRP144C, TRP144D, TRP153C, TRP153D, TRP96C, TRP96D, TYR130C, TYR130D, TYR162C, TYR162D, VAL101D, VAL116C, VAL116D, VAL125C, VAL125D, VAL163C, VAL163D
• C-G: ALA158G, ALA20C, ALA56C, ARG165G, ARG79C, ASP159G, GLU156G, GLU169G, GLU80C, GLY161G, GLY55C, HIS23C, HIS50C, HIS78C, LEU157G, LEU27C, LEU81C, MET168G, PRO21C, PRO24C, SER155G, SER164G, SER52C, SER59C, THR160G, THR166G, THR22C, TYR162G, VAL163G, VAL51C
• C-H: ALA20H, GLU25C, GLU25H, HIS23C, HIS23H, LEU26H, LEU27C, PRO21C, PRO21H, PRO24C, PRO24H, THR22C, THR22H
• D-H: THR160D, THR22H
• E-F: ALA152E, ALA152F, ALA158E, ALA158F, ALA167E, ALA167F, ALA18E, ALA18F, ALA19E, ALA19F, ALA20E, ALA20F, ALA53E, ALA53F, ARG151E, ARG151F, ARG79E, ARG79F, ARG98E, ARG98F, ASP104E, ASP104F, ASP120E, ASP120F, ASP124E, ASP124F, ASP142E, ASP142F, ASP148E, ASP148F, ASP159E, ASP159F, CYS17E, CYS17F, GLN100E, GLN100F, GLU103E, GLU103F, GLU121E, GLU121F, GLU128E, GLU128F, GLU156E, GLU156F, GLU25E, GLU25F, GLU80E, GLU80F, GLU93E, GLU97E, GLU97F, GLY114E, GLY114F, GLY115E, GLY115F, GLY117E, GLY117F, GLY129E, GLY129F, GLY132E, GLY132F, GLY145E, GLY145F, GLY149E, GLY149F, GLY161E, GLY161F, HIS134E, HIS134F, HIS146E, HIS146F, HIS23E, HIS23F, LEU112E, LEU112F, LEU119E, LEU119F, LEU122E, LEU122F, LEU123E, LEU123F, LEU131E, LEU131F, LEU150E, LEU150F, LEU154E, LEU154F, LEU157E, LEU157F, LEU171E, LEU171F, LEU26E, LEU26F, LEU27E, LEU27F, LEU29E, LEU76E, LEU76F, LYS74E, LYS99E, LYS99F, MET102F, MET133E, MET133F, MET168E, MET168F, MET75E, MET75F, MET95E, MET95F, PHE109F, PHE147E, PHE147F, PRO113E, PRO113F, PRO21E, PRO21F, PRO24E, PRO24F, PRO73E, PRO73F, SER164E, SER164F, SER52E, SER52F, THR118E, THR118F, THR127E, THR127F, THR160E, THR160F, THR166E, THR22E, THR22F, THR94E, THR94F, TRP126E, TRP126F, TRP144E, TRP144F, TRP153E, TRP153F, TRP96E, TRP96F, TYR130E, TYR130F, TYR162E, TYR162F, VAL101E, VAL101F, VAL116E, VAL116F, VAL125E, VAL125F, VAL163E, VAL163F
• G-H: ALA152G, ALA152H, ALA158G, ALA167G, ALA167H, ALA18G, ALA18H, ALA19G, ALA19H, ALA20G, ALA20H, ALA53G, ALA53H, ARG151G, ARG151H, ARG79G, ARG79H, ARG98G, ARG98H, ASP104G, ASP104H, ASP120G, ASP120H, ASP124G, ASP124H, ASP142G, ASP142H, ASP148G, ASP148H, ASP159G, ASP159H, CYS17G, CYS17H, GLN100G, GLN100H, GLU103G, GLU103H, GLU121G, GLU121H, GLU128G, GLU128H, GLU156G, GLU156H, GLU25G, GLU25H, GLU80G, GLU80H, GLU93G, GLU93H, GLU97G, GLU97H, GLY114G, GLY114H, GLY115G, GLY115H, GLY117G, GLY117H, GLY129G, GLY129H, GLY132G, GLY132H, GLY145G, GLY145H, GLY149G, GLY149H, GLY161G, GLY161H, HIS134G, HIS134H, HIS146G, HIS146H, HIS23G, HIS23H, LEU112G, LEU112H, LEU119G, LEU119H, LEU122G, LEU122H, LEU123G, LEU123H, LEU131G, LEU131H, LEU150G, LEU150H, LEU154G, LEU154H, LEU157G, LEU157H, LEU171G, LEU171H, LEU26G, LEU26H, LEU27H, LEU29H, LEU76G, LEU76H, LYS136G, LYS99G, LYS99H, MET102G, MET133G, MET133H, MET168G, MET168H, MET75G, MET75H, MET95G, MET95H, PHE109G, PHE147G, PHE147H, PRO113G, PRO113H, PRO21G, PRO21H, PRO73G, PRO73H, SER164G, SER164H, SER52H, THR111H, THR118G, THR118H, THR127G, THR127H, THR160G, THR160H, THR22G, THR22H, THR94G, THR94H, TRP126G, TRP126H, TRP144G, TRP144H, TRP153G, TRP153H, TRP96G, TRP96H, TYR130G, TYR130H, TYR162G, TYR162H, TYR16G, VAL101G, VAL101H, VAL116G, VAL116H, VAL125G, VAL125H, VAL163G, VAL163H