1Y7H

structural and biochemical studies identify tobacco sabp2 as a methylsalicylate esterase and further implicate it in plant innate immunity, northeast structural genomics target ar2241

• Total interactions analyzed: 28
• Total true interactions: 14
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 90
  • Norm. En. per Res.: -2.3923
• Hub Node: C(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	0.0	-5.9454	-209.359	-215.3044	90	15	5	9645	0	18	19
A-E	0.0	0.0	-0.0892	-0.0892	4	0	0	31	0	0	1
A-F	-4.5113	-35.8195	-55.147	-95.4779	57	8	0	3416	1	26	33
B-E	-7.8319	-19.9011	-50.2924	-78.0254	52	1	0	3043	1	25	32
B-F	0.0	0.0	-0.1439	-0.1439	6	0	0	70	0	3	3
C-D	0.0	-3.8591	-208.073	-211.9321	93	5	5	9721	0	18	20
C-E	-13.9209	-10.8374	-102.357	-127.1153	70	2	0	4808	2	40	47
C-F	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	0
C-G	0.0	0.0	-0.0894	-0.0894	4	0	0	28	0	0	1
C-H	0.0	-19.7665	-47.0029	-66.7694	50	0	2	3022	1	24	31
D-G	0.0	-19.2446	-48.1422	-67.3868	56	1	2	2987	1	26	34
D-H	0.0	0.0	-0.7817	-0.7817	8	0	1	171	0	9	4
E-F	-4.1607	-6.0883	-203.953	-214.2019	93	5	4	9491	0	18	21
G-H	0.0	-7.5462	-208.433	-215.9792	92	2	5	9780	0	18	20

Interface residues

• A-B: ALA170A, ALA170B, ALA172A, ALA172B, ALA29A, ALA29B, ALA36A, ALA36B, ALA41A, ALA41B, ARG177A, ARG177B, ARG47A, ARG47B, ASP168A, ASP168B, ASP38A, ASP38B, ASP45A, ASP45B, GLU167A, GLU167B, GLU28A, GLU28B, GLU50A, GLU50B, GLU51A, GLU51B, GLY16A, GLY16B, GLY17A, GLY17B, GLY43A, GLY43B, ILE49A, ILE49B, LEU169A, LEU169B, LEU171A, LEU171B, LEU175A, LEU175B, LEU23A, LEU23B, LEU242A, LEU242B, LEU26A, LEU26B, LEU37A, LEU37B, LEU46A, LEU46B, LYS22A, LYS22B, LYS24A, LYS24B, LYS48A, LYS48B, PHE150A, PHE150B, PRO166A, PRO166B, PRO178A, PRO178B, PRO245A, PRO245B, PRO25A, PRO25B, SER165A, SER165B, SER173A, SER173B, SER174A, SER174B, SER19A, SER19B, SER42A, SER42B, THR44A, THR44B, TRP18A, TRP18B, TRP20A, TRP20B, TYR21A, TYR21B, VAL176A, VAL176B, VAL34A, VAL34B
• A-E: GLU167A, GLU167E, PRO166A, PRO166E
• A-F: ALA157A, ALA236A, ALA250F, ALA256F, ALA29F, ALA30F, ARG219A, ASN130A, ASP133A, ASP168A, ASP237A, CYS164A, CYS243A, CYS249F, GLN162A, GLN246F, GLU129A, GLU209A, GLU215A, GLU216A, GLU232A, GLU232F, GLU244A, GLU244F, GLU254F, GLU3F, GLY235A, GLY235F, GLY31F, GLY4F, HIS158A, HIS257F, HIS32F, ILE231F, ILE233F, LEU132A, LEU163A, LEU169A, LEU248F, LEU253F, LEU26F, LEU27F, LYS154A, LYS159A, LYS211A, LYS234A, LYS234F, LYS247A, LYS247F, LYS258F, PRO166A, PRO245F, PRO25F, SER165A, SER251F, THR208A, TYR161A
• B-E: ALA157E, ALA236E, ALA250B, ALA256B, ALA29B, ALA30B, ASN130E, ASP133E, ASP237E, CYS164E, CYS243E, CYS249B, GLN162E, GLN246B, GLU129E, GLU209E, GLU232B, GLU244B, GLU254B, GLU3B, GLY235B, GLY235E, GLY31B, GLY4B, HIS158E, HIS257B, HIS32B, ILE231B, ILE233B, LEU132E, LEU163E, LEU169E, LEU248B, LEU253B, LEU26B, LEU27B, LYS154E, LYS159E, LYS211E, LYS234B, LYS234E, LYS247B, LYS247E, LYS258B, PRO166E, PRO245B, PRO25B, SER165E, SER251B, THR208B, THR208E, TYR161E
• B-F: ALA29B, ALA29F, GLU28B, GLU28F, PRO25B, PRO25F
• C-D: ALA170C, ALA170D, ALA172C, ALA172D, ALA29C, ALA29D, ALA36C, ALA36D, ALA41C, ALA41D, ARG177C, ARG177D, ARG47C, ARG47D, ASP168C, ASP168D, ASP38C, ASP38D, ASP45C, ASP45D, CYS14C, CYS14D, GLN246C, GLN246D, GLU167C, GLU167D, GLU28C, GLU28D, GLU50C, GLU50D, GLU51C, GLU51D, GLY16C, GLY16D, GLY17C, GLY17D, GLY43C, GLY43D, ILE49C, ILE49D, LEU169C, LEU169D, LEU171C, LEU171D, LEU175C, LEU175D, LEU23C, LEU23D, LEU242C, LEU242D, LEU26C, LEU26D, LEU37C, LEU37D, LEU46C, LEU46D, LYS22C, LYS22D, LYS24C, LYS24D, LYS48C, LYS48D, PHE150C, PHE150D, PRO166C, PRO166D, PRO178C, PRO178D, PRO245C, PRO245D, PRO25C, PRO25D, SER165C, SER165D, SER173C, SER173D, SER174C, SER174D, SER19C, SER19D, SER42C, SER42D, THR44C, THR44D, TRP18C, TRP18D, TRP20C, TRP20D, TYR21C, TYR21D, VAL176C, VAL176D, VAL34C
• C-E: ALA189C, ALA189E, ALA71C, ALA71E, ARG196C, ARG196E, ARG47E, ARG53C, ARG53E, ASN114C, ASP185C, ASP185E, ASP194C, ASP57C, ASP57E, ASP72E, GLN96C, GLN96E, GLU143C, GLU144C, GLU195C, GLU195E, GLU51E, GLU64E, GLU67C, GLU67E, GLU92C, GLU92E, GLY88C, LEU146C, LEU186C, LEU186E, LEU52E, LEU55C, LEU55E, LEU60C, LEU60E, LEU65E, LEU69E, LEU89C, LEU89E, LYS188C, LYS188E, LYS190C, LYS190E, LYS74E, LYS93C, LYS93E, LYS97E, PHE192C, PRO61E, PRO95C, PRO95E, SER115C, SER187C, SER68E, SER70E, THR193C, THR193E, THR54C, THR54E, THR59C, THR59E, TYR191C, TYR191E, TYR56C, TYR56E, TYR58E, TYR94C, TYR94E
• C-F: ALA71C, LYS48F
• C-G: GLU167C, GLU167G, PRO166C, PRO166G
• C-H: ALA157C, ALA236C, ALA250H, ALA256H, ALA29H, ALA30H, ASN130C, ASP133C, ASP237C, CYS164C, CYS243C, CYS249H, GLN162C, GLN246H, GLU129C, GLU209C, GLU215C, GLU232H, GLU244H, GLU254H, GLY235C, GLY235H, GLY31H, GLY4H, HIS158C, HIS257H, HIS32H, ILE231H, ILE233H, ILE255H, LEU132C, LEU163C, LEU169C, LEU248H, LEU253H, LEU26H, LYS154C, LYS159C, LYS211C, LYS234C, LYS234H, LYS247H, LYS258H, PRO166C, PRO245H, PRO25H, SER165C, SER251H, THR208C, TYR161C
• D-G: ALA157G, ALA236G, ALA250D, ALA256D, ALA29D, ALA30D, ASN130G, ASN260D, ASP133G, ASP237G, CYS164G, CYS243G, CYS249D, GLN162G, GLN246D, GLU129G, GLU167G, GLU209G, GLU215G, GLU232D, GLU244D, GLU254D, GLU3D, GLY235D, GLY235G, GLY4D, HIS158G, HIS257D, HIS32D, ILE231D, ILE233D, ILE255D, LEU132G, LEU163G, LEU169G, LEU248D, LEU252D, LEU253D, LEU26D, LYS154G, LYS159G, LYS211G, LYS234D, LYS234G, LYS247D, LYS258D, LYS2D, LYS5D, PRO153G, PRO166G, PRO245D, PRO25D, SER165G, SER251D, THR208G, TYR161G
• D-H: ALA29D, ALA29H, GLU28D, GLU28H, GLY31D, GLY31H, PRO25D, PRO25H
• E-F: ALA170E, ALA170F, ALA172E, ALA172F, ALA29E, ALA29F, ALA36E, ALA36F, ALA41E, ALA41F, ARG177E, ARG177F, ARG47E, ARG47F, ASP168E, ASP168F, ASP38E, ASP38F, ASP45E, ASP45F, CYS14E, CYS14F, GLU167E, GLU167F, GLU28E, GLU28F, GLU50E, GLU50F, GLU51E, GLU51F, GLY16E, GLY16F, GLY17E, GLY17F, GLY43E, GLY43F, HIS15E, ILE49E, ILE49F, LEU169E, LEU169F, LEU171E, LEU171F, LEU175E, LEU175F, LEU23E, LEU23F, LEU242E, LEU242F, LEU26E, LEU26F, LEU37E, LEU37F, LEU46E, LEU46F, LYS22E, LYS22F, LYS24E, LYS24F, LYS48E, LYS48F, PHE150E, PHE150F, PRO166E, PRO166F, PRO178E, PRO178F, PRO245E, PRO245F, PRO25E, PRO25F, SER165E, SER165F, SER173E, SER173F, SER174E, SER174F, SER19E, SER19F, SER42E, SER42F, THR44E, THR44F, TRP18E, TRP18F, TRP20E, TRP20F, TYR21E, TYR21F, VAL176E, VAL176F, VAL34E, VAL34F
• G-H: ALA170G, ALA170H, ALA172G, ALA172H, ALA29G, ALA29H, ALA36G, ALA36H, ALA41G, ALA41H, ARG177G, ARG177H, ARG47G, ARG47H, ASP168G, ASP168H, ASP38G, ASP38H, ASP45G, ASP45H, CYS14G, CYS14H, GLU167G, GLU167H, GLU28G, GLU28H, GLU50G, GLU50H, GLU51G, GLU51H, GLY16G, GLY16H, GLY17G, GLY17H, GLY43G, GLY43H, ILE49G, ILE49H, LEU169G, LEU169H, LEU171G, LEU171H, LEU175G, LEU175H, LEU23G, LEU23H, LEU242G, LEU242H, LEU26G, LEU26H, LEU37G, LEU37H, LEU46G, LEU46H, LYS22G, LYS22H, LYS24G, LYS24H, LYS48G, LYS48H, PHE150G, PHE150H, PRO166G, PRO166H, PRO178G, PRO178H, PRO245G, PRO245H, PRO25G, PRO25H, SER165G, SER165H, SER173G, SER173H, SER174G, SER174H, SER19G, SER19H, SER42G, SER42H, THR44G, THR44H, TRP18G, TRP18H, TRP20G, TRP20H, TYR21G, TYR21H, VAL176G, VAL176H, VAL34G, VAL34H