3V77

crystal structure of a putative fumarylacetoacetate isomerase/hydrolase from oleispira antarctica

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: A-F
  • Int. Res.: 14
  • Norm. En. per Res.: -6.8196
• 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	0.0	-6.5404	-57.1453	-63.6857	41	2	1	2540	0	11	10
A-C	-2.1264	-3.1659	-48.7029	-53.9952	42	1	0	1865	2	19	11
A-D	-56.5557	63.2321	-334.412	-327.7356	127	17	2	12918	0	54	65
A-E	0.0	-4.9192	-90.1092	-95.0284	63	1	1	3429	0	11	13
A-F	-20.2777	-42.1389	-33.0573	-95.4739	14	3	0	1144	3	10	11
B-C	0.0	4.663	-0.005	4.6579	3	0	0	3	0	3	6
B-D	0.0	0.0	-0.0677	-0.0677	4	0	0	20	0	1	1
B-E	-2.6762	-4.8339	-40.8682	-48.3783	39	2	0	1848	3	18	12
C-D	-12.0297	-23.3509	-29.0007	-64.3813	14	3	0	853	4	12	11
C-E	0.0	0.0	-4.9649	-4.9649	13	0	0	336	0	3	4
C-F	-51.3705	62.4706	-351.775	-340.6749	127	11	2	13129	0	54	65
D-F	0.0	-6.2168	-39.879	-46.0958	40	0	0	1759	2	19	15

Interface residues

• A-B: ALA174A, ALA27B, ASN153B, ASN24A, ASP141A, ASP203B, GLN144A, GLN155B, GLN157B, GLN159B, GLU140A, GLU151B, GLU178A, GLU200B, GLU86A, GLY154B, GLY195B, GLY202B, HIS175A, HIS179A, ILE173A, ILE36A, LEU166A, LEU170A, LEU172A, LEU199B, LYS152B, LYS30B, PHE156B, PHE167A, PRO168A, PRO171A, PRO198B, PRO37A, PRO40A, SER204B, SER38A, SER39A, SER84A, THR85A, VAL201B
• A-C: ALA29A, ALA29C, ARG104A, ARG104C, ARG23C, ASN33A, ASN33C, ASN34A, ASN34C, ASP105A, ASP108A, ASP108C, GLN107A, GLN109A, GLN109C, GLU112A, GLU112C, GLU31A, GLU31C, GLY197A, HIS28C, HIS67A, HIS67C, ILE36C, ILE41C, LEU110A, LEU32A, LEU32C, LYS111A, LYS111C, LYS113A, LYS30A, LYS30C, PRO198A, PRO35A, PRO35C, PRO37C, SER38C, SER65A, TRP117C, VAL106A, VAL196C
• A-D: ALA120A, ALA120D, ALA126A, ALA126D, ALA2A, ALA2D, ALA47A, ALA47D, ARG119A, ARG119D, ARG23A, ARG23D, ARG82A, ARG82D, ASN34A, ASN34D, ASP108D, ASP124A, ASP124D, ASP14A, ASP14D, ASP186A, ASP186D, CYS20A, CYS20D, GLN107A, GLN107D, GLN109D, GLN183A, GLN183D, GLN63A, GLN63D, GLU112A, GLU112D, GLU118A, GLU118D, GLU178A, GLU178D, GLY114A, GLY114D, GLY125A, GLY125D, GLY16A, GLY16D, GLY22A, GLY22D, HIS115A, HIS115D, HIS175A, HIS175D, HIS179A, HIS179D, ILE18A, ILE18D, ILE36D, ILE41A, ILE41D, ILE44A, ILE44D, LEU103A, LEU103D, LEU110A, LEU110D, LEU15A, LEU15D, LEU172A, LEU172D, LEU182A, LEU182D, LEU42A, LEU42D, LEU80A, LEU80D, LYS111A, LYS111D, LYS113A, LYS113D, LYS121A, LYS121D, LYS17A, LYS17D, LYS45A, LYS45D, PHE123A, PHE123D, PHE167A, PHE167D, PHE180A, PHE180D, PHE43A, PHE43D, PRO116A, PRO116D, PRO35A, PRO35D, PRO37A, PRO37D, PRO40A, PRO40D, PRO46A, PRO46D, PRO60A, PRO60D, SER122A, SER122D, SER177A, SER177D, SER181A, SER181D, SER38A, SER38D, SER39A, SER39D, SER48A, SER48D, SER49A, SER49D, SER81A, SER81D, TRP117A, TRP117D, VAL106A, VAL106D, VAL19A, VAL19D, VAL21A, VAL21D
• A-E: ALA194A, ALA194E, ALA26A, ALA26E, ALA27A, ALA27E, ASN153A, ASN153E, ASN214A, ASN214E, ASP213A, ASP213E, GLN155A, GLN155E, GLN157A, GLN157E, GLN158A, GLN158E, GLN159A, GLN159E, GLU151A, GLU151E, GLU164A, GLU164E, GLU212A, GLU212E, GLU31E, GLY147A, GLY147E, GLY154A, GLY154E, GLY160A, GLY160E, GLY195A, GLY195E, LEU148A, LEU148E, LEU150A, LEU150E, LEU209A, LEU209E, LEU211A, LEU211E, LEU216A, LEU216E, LEU217A, LEU217E, LYS152A, LYS152E, LYS208A, LYS208E, LYS30A, LYS30E, PHE156A, PHE156E, SER161E, SER206A, SER210A, SER210E, THR149A, THR149E, VAL215A, VAL215E
• A-F: GLN109A, GLN109F, GLU112A, GLU112F, GLY114A, GLY114F, HIS115A, HIS115F, LEU110A, LEU110F, LYS111A, LYS111F, LYS113A, LYS113F
• B-C: ASP62B, ASP62C, GLY64C
• B-D: ARG119D, ASN153B, GLN155B, GLY154B
• B-E: ALA29B, ALA29E, ARG104B, ARG104E, ARG23B, ARG23E, ASN33B, ASN33E, ASN34B, ASN34E, ASP105B, ASP108B, ASP108E, GLN107B, GLN109B, GLU112B, GLU112E, GLU31B, GLU31E, HIS28B, HIS67B, HIS67E, ILE36E, ILE41E, LEU110B, LEU32B, LEU32E, LYS111B, LYS111E, LYS113B, LYS30B, LYS30E, PRO35B, PRO35E, PRO37E, SER38E, SER65B, TRP117E, VAL106B
• C-D: ASP108C, ASP108D, GLN109C, GLN109D, GLU112C, GLU112D, GLY114C, GLY114D, HIS115C, LEU110D, LYS111C, LYS111D, LYS113C, LYS113D
• C-E: ALA174E, ASP141E, GLN155C, GLN159C, GLU140E, GLU86E, GLY154C, LEU170E, PHE156C, PRO168E, PRO171E, SER84E, THR85E
• C-F: ALA120C, ALA120F, ALA126C, ALA126F, ALA2C, ALA47C, ALA47F, ARG119C, ARG119F, ARG23C, ARG23F, ARG82C, ARG82F, ASN34C, ASN34F, ASP108C, ASP124C, ASP124F, ASP14C, ASP14F, ASP186C, ASP186F, CYS20C, CYS20F, GLN107C, GLN107F, GLN183C, GLN183F, GLN63C, GLN63F, GLU112C, GLU112F, GLU118C, GLU118F, GLU178C, GLU178F, GLY114C, GLY114F, GLY125C, GLY125F, GLY16C, GLY16F, GLY22C, GLY22F, HIS115C, HIS115F, HIS175C, HIS175F, HIS179C, HIS179F, ILE18C, ILE18F, ILE36C, ILE36F, ILE41C, ILE41F, ILE44C, ILE44F, LEU103C, LEU103F, LEU110C, LEU110F, LEU15C, LEU15F, LEU172C, LEU172F, LEU182C, LEU182F, LEU42C, LEU42F, LEU80C, LEU80F, LYS111C, LYS111F, LYS113C, LYS113F, LYS121C, LYS121F, LYS17C, LYS17F, LYS45C, LYS45F, LYS61F, PHE123C, PHE123F, PHE167C, PHE167F, PHE180C, PHE180F, PHE43C, PHE43F, PRO116C, PRO116F, PRO35C, PRO35F, PRO37C, PRO37F, PRO40C, PRO40F, PRO46C, PRO46F, PRO60C, PRO60F, SER122C, SER122F, SER177C, SER177F, SER181C, SER181F, SER38C, SER38F, SER39C, SER39F, SER48C, SER48F, SER49C, SER49F, SER81C, SER81F, TRP117C, TRP117F, VAL106C, VAL106F, VAL19C, VAL19F, VAL21C, VAL21F
• D-F: ALA29D, ALA29F, ARG104D, ARG104F, ARG23D, ARG23F, ASN33D, ASN33F, ASN34D, ASN34F, ASP105F, ASP108D, ASP108F, GLN107F, GLN109F, GLU112D, GLU112F, GLU31D, GLU31F, GLY114F, HIS67D, HIS67F, ILE36D, ILE41D, LEU110F, LEU32D, LEU32F, LYS111D, LYS111F, LYS113F, LYS30D, LYS30F, PRO198F, PRO35D, PRO35F, PRO37D, SER65F, TRP117D, VAL106F, VAL196D