3QM3

1.85 angstrom resolution crystal structure of fructose-bisphosphate aldolase (fba) from campylobacter jejuni

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 8
  • Norm. En. per Res.: -4.1384
• 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	-37.816	-2.6154	-733.257	-773.6884	207	14	10	27159	0	54	60
A-C	0.0	-36.6871	-62.5653	-99.2524	39	1	0	2662	3	18	11
A-D	-6.8058	-16.3887	-9.9128	-33.1073	8	0	0	300	1	7	3
A-G	-51.645	-48.1097	-70.8698	-170.6245	59	9	0	3481	6	31	31
A-H	0.0	0.0	-1.0	-1.0	9	0	0	151	0	1	4
B-C	-4.2186	-31.2076	-40.295	-75.7212	38	0	2	2185	3	18	15
B-G	-14.1853	0.2285	-72.5008	-86.4576	47	2	0	3202	0	20	21
C-D	-33.0818	8.0869	-730.898	-755.893	207	14	10	27042	0	55	59
C-E	-33.3227	-36.4017	-74.2527	-143.9771	61	7	0	3707	6	31	33
C-F	0.0	0.0	-1.4687	-1.4687	6	0	0	172	0	1	4
D-E	-31.9912	1.1737	-81.014	-111.8315	59	4	0	3749	1	21	21
E-F	-42.0557	-4.8226	-720.546	-767.4243	207	18	10	26755	0	53	61
E-G	0.0	-4.8572	-0.27	-5.1272	6	0	0	66	0	1	2
F-G	-13.8998	0.0884	-16.8516	-30.663	33	1	0	998	0	17	14
G-H	-48.9208	-2.756	-730.726	-782.4028	207	16	10	26922	0	55	60

Interface residues

• A-B: ALA120A, ALA120B, ALA290A, ALA290B, ALA44A, ALA44B, ALA48B, ALA65A, ALA65B, ALA69A, ALA69B, ALA81A, ALA81B, ALA85A, ALA85B, ALA92A, ALA92B, ALA94A, ALA94B, ARG296A, ARG296B, ARG303A, ARG303B, ARG327A, ARG327B, ARG331A, ARG331B, ARG340A, ARG340B, ASN302A, ASN302B, ASN320A, ASN320B, ASN35A, ASN35B, ASN43A, ASN43B, ASN62A, ASN62B, ASN72A, ASN72B, ASN75A, ASN75B, ASP284A, ASP284B, ASP286A, ASP286B, ASP293A, ASP293B, ASP325A, ASP325B, ASP40A, ASP40B, CYS73A, CYS73B, GLN288A, GLN288B, GLN307A, GLN307B, GLN309A, GLN309B, GLU297A, GLU299A, GLU299B, GLU334A, GLU334B, GLU335A, GLU335B, GLU47A, GLU47B, GLY222A, GLY222B, GLY264A, GLY264B, GLY294A, GLY294B, GLY308A, GLY308B, GLY333A, GLY333B, GLY38A, GLY38B, GLY63A, GLY63B, GLY64A, GLY64B, GLY70A, GLY70B, GLY76A, GLY76B, GLY80A, GLY80B, GLY84A, GLY84B, GLY96A, GLY96B, HIS128A, HIS128B, HIS87A, HIS87B, HIS89A, HIS89B, ILE310A, ILE310B, ILE338A, ILE338B, ILE42A, ILE42B, ILE82A, ILE82B, LEU132A, LEU132B, LEU300A, LEU300B, LEU306A, LEU306B, LEU330A, LEU330B, LEU46A, LEU46B, LEU79A, LEU79B, LEU90A, LEU90B, LEU91A, LEU91B, LYS321A, LYS321B, LYS322A, LYS322B, LYS50A, LYS50B, LYS51A, LYS51B, LYS66A, LYS66B, LYS71A, LYS71B, LYS86A, LYS86B, LYS93A, LYS93B, MET337A, MET337B, PHE291A, PHE291B, PHE60A, PHE60B, PHE67A, PHE67B, PRO319A, PRO319B, PRO326A, PRO326B, PRO74A, PRO74B, SER263A, SER263B, SER332A, SER332B, SER41A, SER41B, SER61A, SER61B, SER83A, SER83B, THR127A, THR127B, THR285A, THR285B, THR287A, THR287B, THR39A, THR39B, TRP289A, TRP289B, TRP292A, TRP292B, TRP329A, TRP329B, TYR124A, TYR124B, TYR224A, TYR298A, TYR298B, TYR305A, TYR305B, TYR323A, TYR323B, TYR324A, TYR324B, TYR68A, TYR68B, TYR95A, TYR95B, VAL295A, VAL295B, VAL328A, VAL328B, VAL36A, VAL36B, VAL37A, VAL37B, VAL78A, VAL78B, VAL88A, VAL88B
• A-C: ALA122C, ALA131C, ALA161C, ALA304A, ARG303A, ASN302A, ASN312A, ASN320A, ASP15C, ASP160C, ASP316A, ASP317A, GLN130C, GLN307A, GLN309A, GLU299A, GLU314A, GLY129C, GLY163C, GLY308A, GLY311A, GLY315A, HIS128C, ILE310A, LEU162C, LEU300A, LEU306A, LEU90C, LYS125C, LYS126C, LYS210C, LYS318A, LYS8C, PRO313A, SER13C, THR127C, TYR124C, TYR305A, VAL164C
• A-D: ASP316A, ASP317A, GLN123D, ILE310A, LYS126D, LYS318A, LYS86D, THR127D
• A-G: ARG108A, ARG203A, ARG331G, ASN148A, ASN302G, ASN312G, ASN352G, ASN53G, ASN72A, ASN75A, ASP115A, CYS152A, GLU143A, GLU146A, GLU147A, GLU153A, GLU297G, GLU314G, GLU335G, GLU342G, GLU346G, GLU77A, GLY116A, GLY315G, GLY76A, ILE114A, ILE118A, ILE343G, ILE351G, LEU110A, LEU111A, LEU138A, LEU140A, LEU149A, LYS109A, LYS158A, LYS301G, LYS318G, LYS322G, LYS339G, LYS51G, LYS66A, LYS71A, PRO112A, PRO313G, PRO319G, PRO74A, SER144A, SER150A, SER332G, THR151A, TRP113A, TYR155A, TYR298G, TYR305G, TYR323G, VAL154A, VAL328G, VAL52G
• A-H: ASN72H, GLU142H, GLY175A, LYS109A, LYS109H, LYS189A, LYS71H, PRO226A, VAL223A
• B-C: ALA122C, ALA161C, ALA304B, ARG203C, ARG296B, ARG303B, ASN302B, ASN312B, ASP15C, ASP160C, ASP293B, ASP316B, ASP317B, GLN157C, GLN307B, GLU153C, GLU202C, GLU297B, GLU299B, GLU314B, GLY163C, GLY205C, GLY315B, ILE207C, LEU159C, LEU162C, LEU300B, LYS125C, LYS126C, LYS158C, LYS206C, LYS210C, LYS301B, PRO313B, SER208C, TRP289B, TYR305B, VAL164C
• B-G: ALA0B, ALA273G, ALA48B, ALA49B, ARG331B, ASN272G, ASN349G, ASN352B, ASN352G, ASN354B, ASN53B, ASP269G, ASP347G, ASP5B, CYS350G, GLU266G, GLU335B, GLU342B, GLU342G, GLU346G, GLU47B, GLY2B, GLY96B, ILE270G, ILE343G, ILE351B, ILE351G, LEU267G, LEU46B, LEU4B, LYS268G, LYS271G, LYS339B, LYS353B, LYS353G, LYS50B, LYS51B, MET1B, PHE345G, PRO233G, SER275G, SER54B, TYR23B, TYR95B, VAL274G, VAL3B, VAL52B
• C-D: ALA120C, ALA120D, ALA290C, ALA290D, ALA44C, ALA44D, ALA48D, ALA65C, ALA65D, ALA69C, ALA69D, ALA81C, ALA81D, ALA85C, ALA85D, ALA92C, ALA92D, ALA94C, ALA94D, ARG296C, ARG296D, ARG303C, ARG303D, ARG327C, ARG327D, ARG331C, ARG331D, ARG340C, ARG340D, ASN302C, ASN302D, ASN320C, ASN320D, ASN35C, ASN35D, ASN43C, ASN43D, ASN62C, ASN62D, ASN72C, ASN72D, ASN75C, ASN75D, ASP284C, ASP284D, ASP286C, ASP286D, ASP293C, ASP293D, ASP325C, ASP325D, ASP40C, ASP40D, CYS73C, CYS73D, GLN288C, GLN288D, GLN307C, GLN307D, GLN309C, GLN309D, GLU297C, GLU299C, GLU299D, GLU334C, GLU334D, GLU335C, GLU335D, GLU47C, GLU47D, GLY222C, GLY222D, GLY264C, GLY264D, GLY294C, GLY294D, GLY308C, GLY308D, GLY333C, GLY333D, GLY38C, GLY38D, GLY63C, GLY63D, GLY64C, GLY64D, GLY70C, GLY70D, GLY76C, GLY76D, GLY80C, GLY80D, GLY84C, GLY84D, GLY96C, GLY96D, HIS128C, HIS128D, HIS221C, HIS87C, HIS87D, HIS89C, HIS89D, ILE310C, ILE310D, ILE338C, ILE338D, ILE42C, ILE42D, ILE82C, ILE82D, LEU132C, LEU132D, LEU300C, LEU300D, LEU306C, LEU306D, LEU330C, LEU330D, LEU46C, LEU46D, LEU79C, LEU79D, LEU90C, LEU90D, LEU91C, LEU91D, LYS321C, LYS321D, LYS322C, LYS322D, LYS50C, LYS50D, LYS51C, LYS51D, LYS66C, LYS66D, LYS71C, LYS71D, LYS86C, LYS86D, LYS93C, LYS93D, MET337C, MET337D, PHE291C, PHE291D, PHE60C, PHE60D, PHE67C, PHE67D, PRO319C, PRO319D, PRO326C, PRO326D, PRO74C, PRO74D, SER263C, SER263D, SER332C, SER332D, SER41C, SER41D, SER61C, SER61D, SER83C, SER83D, THR127C, THR127D, THR285C, THR285D, THR287C, THR287D, THR39C, THR39D, TRP289C, TRP289D, TRP292C, TRP292D, TRP329C, TRP329D, TYR124C, TYR124D, TYR298C, TYR298D, TYR305C, TYR305D, TYR323C, TYR323D, TYR324C, TYR324D, TYR68C, TYR68D, TYR95C, TYR95D, VAL295C, VAL295D, VAL328C, VAL328D, VAL36C, VAL36D, VAL37C, VAL37D, VAL78C, VAL78D, VAL88C, VAL88D
• C-E: ARG108C, ARG203C, ARG331E, ASN148C, ASN302E, ASN312E, ASN352E, ASN53E, ASN72C, ASN75C, ASP115C, CYS152C, CYS73C, GLU143C, GLU146C, GLU147C, GLU153C, GLU297E, GLU314E, GLU335E, GLU342E, GLU346E, GLU77C, GLY116C, GLY315E, GLY76C, ILE114C, ILE118C, ILE343E, ILE351E, LEU110C, LEU111C, LEU138C, LEU140C, LEU145C, LEU149C, LYS109C, LYS158C, LYS301E, LYS318E, LYS322E, LYS339E, LYS51E, LYS66C, LYS71C, PRO112C, PRO313E, PRO319E, PRO74C, SER144C, SER150C, SER332E, THR151C, TRP113C, TYR155C, TYR298E, TYR305E, TYR323E, VAL154C, VAL328E, VAL52E
• C-F: ASN72F, GLY175C, LYS109C, LYS109F, LYS189C, LYS71F
• D-E: ALA0D, ALA0E, ALA273E, ALA49D, ARG331D, ASN-1D, ASN272E, ASN349E, ASN352D, ASN352E, ASN354D, ASN53D, ASP269E, ASP347E, ASP5D, CYS350E, GLN232E, GLU234E, GLU266E, GLU27E, GLU335D, GLU342D, GLU342E, GLU346E, GLU47D, GLY2D, GLY96D, ILE185E, ILE235E, ILE270E, ILE343E, ILE351D, ILE351E, LEU231E, LEU267E, LEU348E, LEU4D, LYS268E, LYS271E, LYS301D, LYS339D, LYS353D, LYS353E, LYS50D, LYS51D, MET1D, PHE29E, PHE345E, PRO233E, SER-2D, SER230E, SER275E, SER54D, TYR23D, TYR276E, TYR95D, VAL274E, VAL3D, VAL52D
• E-F: ALA120E, ALA120F, ALA290E, ALA290F, ALA44E, ALA44F, ALA65E, ALA65F, ALA69E, ALA69F, ALA81E, ALA81F, ALA85E, ALA85F, ALA92E, ALA92F, ALA94E, ALA94F, ARG296E, ARG296F, ARG303E, ARG303F, ARG327E, ARG327F, ARG331E, ARG331F, ARG340E, ARG340F, ASN302E, ASN302F, ASN320E, ASN320F, ASN35E, ASN35F, ASN43E, ASN43F, ASN62E, ASN62F, ASN72E, ASN72F, ASN75E, ASN75F, ASP284E, ASP284F, ASP286E, ASP286F, ASP293E, ASP293F, ASP325E, ASP325F, ASP40E, ASP40F, CYS73E, CYS73F, GLN288E, GLN288F, GLN307E, GLN307F, GLN309E, GLN309F, GLU297E, GLU299E, GLU299F, GLU334E, GLU334F, GLU335E, GLU335F, GLU47E, GLU47F, GLY222E, GLY222F, GLY264E, GLY264F, GLY294E, GLY294F, GLY308E, GLY308F, GLY333E, GLY333F, GLY38E, GLY38F, GLY63E, GLY63F, GLY64E, GLY64F, GLY70E, GLY70F, GLY76E, GLY76F, GLY80E, GLY80F, GLY84E, GLY84F, GLY96E, GLY96F, HIS128E, HIS128F, HIS221E, HIS87E, HIS87F, HIS89E, HIS89F, ILE310E, ILE310F, ILE338E, ILE338F, ILE42E, ILE42F, ILE82E, ILE82F, LEU132E, LEU132F, LEU300E, LEU300F, LEU306E, LEU306F, LEU330E, LEU330F, LEU46E, LEU46F, LEU79E, LEU79F, LEU90E, LEU90F, LEU91E, LEU91F, LYS321E, LYS321F, LYS322E, LYS322F, LYS50E, LYS50F, LYS51E, LYS51F, LYS66E, LYS66F, LYS71E, LYS71F, LYS86E, LYS86F, LYS93E, LYS93F, MET337E, MET337F, PHE291E, PHE291F, PHE60E, PHE60F, PHE67E, PHE67F, PRO319E, PRO319F, PRO326E, PRO326F, PRO74E, PRO74F, SER263E, SER263F, SER332E, SER332F, SER41E, SER41F, SER61E, SER61F, SER83E, SER83F, THR127E, THR127F, THR285E, THR285F, THR287E, THR287F, THR39E, THR39F, TRP289E, TRP289F, TRP292E, TRP292F, TRP329E, TRP329F, TYR124E, TYR124F, TYR224E, TYR298E, TYR298F, TYR305E, TYR305F, TYR323E, TYR323F, TYR324E, TYR324F, TYR68E, TYR68F, TYR95E, TYR95F, VAL295E, VAL295F, VAL328E, VAL328F, VAL36E, VAL36F, VAL37E, VAL37F, VAL78E, VAL78F, VAL88E, VAL88F
• E-G: ARG303E, ASP5G, GLN307E, ILE6G, LYS8G, MET1G
• F-G: ALA248G, ALA304F, ARG296F, ARG303F, ASN18G, ASN250G, ASN312F, ASP15G, ASP209G, ASP22G, ASP316F, ASP317F, ASP5G, GLU16G, GLU314F, GLY311F, GLY315F, ILE6G, LEU249G, LEU300F, LYS19G, LYS210G, LYS244G, LYS301F, LYS318F, LYS8G, MET1G, PHE247G, PRO313F, SER251G, TYR201G, TYR305F, VAL7G
• G-H: ALA120G, ALA120H, ALA290G, ALA290H, ALA44G, ALA44H, ALA65G, ALA65H, ALA69G, ALA69H, ALA81G, ALA81H, ALA85G, ALA85H, ALA92G, ALA92H, ALA94G, ALA94H, ARG296G, ARG296H, ARG303G, ARG303H, ARG327G, ARG327H, ARG331G, ARG331H, ARG340G, ARG340H, ASN302G, ASN302H, ASN320G, ASN320H, ASN35G, ASN35H, ASN43G, ASN43H, ASN62G, ASN62H, ASN72G, ASN72H, ASN75G, ASN75H, ASP284G, ASP284H, ASP286G, ASP286H, ASP293G, ASP293H, ASP325G, ASP325H, ASP40G, ASP40H, CYS73G, CYS73H, GLN288G, GLN288H, GLN307G, GLN307H, GLN309G, GLN309H, GLU297G, GLU297H, GLU299G, GLU299H, GLU334G, GLU334H, GLU335G, GLU335H, GLU47G, GLU47H, GLY222G, GLY222H, GLY264G, GLY264H, GLY294G, GLY294H, GLY308G, GLY308H, GLY333G, GLY333H, GLY38G, GLY38H, GLY63G, GLY63H, GLY64G, GLY64H, GLY70G, GLY70H, GLY76G, GLY76H, GLY80G, GLY80H, GLY84G, GLY84H, GLY96G, GLY96H, HIS128G, HIS128H, HIS87G, HIS87H, HIS89G, HIS89H, ILE310G, ILE310H, ILE338G, ILE338H, ILE42G, ILE42H, ILE82G, ILE82H, LEU132G, LEU132H, LEU300G, LEU300H, LEU306G, LEU306H, LEU330G, LEU330H, LEU46G, LEU46H, LEU79G, LEU79H, LEU90G, LEU90H, LEU91G, LEU91H, LYS321G, LYS321H, LYS322G, LYS322H, LYS50G, LYS50H, LYS51G, LYS51H, LYS66G, LYS66H, LYS71G, LYS71H, LYS86G, LYS86H, LYS93G, LYS93H, MET337G, MET337H, PHE291G, PHE291H, PHE60G, PHE60H, PHE67G, PHE67H, PRO319G, PRO319H, PRO326G, PRO326H, PRO74G, PRO74H, SER263G, SER263H, SER332G, SER332H, SER41G, SER41H, SER61G, SER61H, SER83G, SER83H, THR127G, THR127H, THR285G, THR285H, THR287G, THR287H, THR39G, THR39H, TRP289G, TRP289H, TRP292G, TRP292H, TRP329G, TRP329H, TYR124G, TYR124H, TYR224G, TYR298G, TYR298H, TYR305G, TYR305H, TYR323G, TYR323H, TYR324G, TYR324H, TYR68G, TYR68H, TYR95G, TYR95H, VAL295G, VAL295H, VAL328G, VAL328H, VAL36G, VAL36H, VAL37G, VAL37H, VAL78G, VAL78H, VAL88G, VAL88H