2C4U

crystal structure of the apo form of the 5'-fluoro-5'- deoxyadenosine synthase enzyme from streptomyces cattleya

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 145
  • Norm. En. per Res.: -3.1589
• Hub Node: A(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	-60.6172	15.1764	-416.31	-461.7508	147	13	8	16317	2	29	32
A-C	-36.2135	0.2249	-373.527	-409.5156	145	14	9	15325	4	31	30
A-D	0.0	0.0	-0.1176	-0.1176	2	0	0	8	0	2	1
A-E	0.0	-13.756	-1.749	-15.5051	15	0	0	193	0	2	3
B-C	-58.5818	-2.2611	-397.2	-458.0429	145	11	8	15872	3	31	32
B-D	0.0	0.0	-1.4977	-1.4977	8	0	0	82	1	2	3
C-D	0.0	0.0	-0.1483	-0.1483	2	0	0	39	0	1	2
C-F	0.0	0.0	-1.0204	-1.0204	11	0	0	170	0	2	1
D-E	-51.3985	10.7943	-400.58	-441.1842	150	10	8	15852	2	31	31
D-F	-34.5295	3.9779	-380.497	-411.0486	146	13	8	15548	4	30	33
E-F	-47.6309	-16.7687	-398.195	-462.5946	147	7	8	15934	2	31	32

Interface residues

• A-B: ALA104B, ALA108B, ALA12B, ALA167A, ALA208B, ALA255B, ALA25A, ALA276B, ALA279B, ALA280B, ALA283B, ALA79A, ALA99B, ARG100B, ARG112B, ARG159A, ARG270B, ARG277B, ARG57B, ARG64B, ARG8B, ASN215B, ASN268B, ASN278B, ASP16A, ASP210B, ASP21A, ASP22A, ASP256B, ASP37A, ASP42A, ASP42B, ASP51A, ASP61B, CYS27A, CYS35A, CYS44B, GLN102B, GLN151A, GLN26A, GLU150A, GLU153A, GLU160A, GLU54B, GLU68B, GLY101B, GLY105B, GLY107B, GLY109B, GLY18A, GLY214B, GLY271B, GLY29A, GLY55B, GLY81A, GLY97B, GLY98B, HIS168A, HIS211B, HIS45A, HIS45B, ILE10B, ILE148A, ILE164A, ILE209B, ILE260B, ILE34A, ILE59B, LEU17A, LEU267B, LEU282B, LEU30A, LEU62B, LYS146A, LYS28A, LYS28B, MET14B, MET31A, MET47A, MET47B, PHE110B, PHE13B, PHE156A, PHE213B, PHE254B, PHE65B, PHE66B, PHE72B, PRO145A, PRO149A, PRO152A, PRO154A, PRO165A, PRO212B, PRO252B, PRO285B, PRO36A, PRO49A, PRO63B, PRO67B, PRO78A, SER106B, SER144A, SER158A, SER15A, SER23A, SER269B, SER274B, SER281B, SER33A, SER46A, SER46B, THR155A, THR19A, THR19B, THR20A, THR251B, THR253B, THR39A, THR39B, THR48A, THR48B, THR70B, THR75A, THR76A, THR80A, THR82A, THR83A, TRP103B, TRP217B, TRP50A, TYR117B, TYR157A, TYR232B, TYR266B, TYR284B, TYR32A, TYR58B, TYR77A, VAL147A, VAL24A, VAL38A, VAL40A, VAL40B, VAL41B, VAL43B, VAL60B
• A-C: ALA104A, ALA108A, ALA12A, ALA167C, ALA208A, ALA255A, ALA25C, ALA276A, ALA279A, ALA280A, ALA79C, ALA99A, ARG100A, ARG112A, ARG159C, ARG222A, ARG270A, ARG277A, ARG57A, ARG64A, ARG8A, ASN215A, ASN268A, ASN278A, ASP16C, ASP210A, ASP21C, ASP22C, ASP256A, ASP37C, ASP42A, ASP42C, ASP51C, ASP61A, CYS27C, CYS35C, CYS44A, GLN102A, GLN151C, GLN26C, GLU150C, GLU153C, GLU160C, GLU54A, GLU68A, GLY101A, GLY105A, GLY107A, GLY109A, GLY18C, GLY214A, GLY271A, GLY29C, GLY55A, GLY81C, GLY97A, GLY98A, HIS168C, HIS211A, HIS45A, HIS45C, ILE10A, ILE148C, ILE164C, ILE209A, ILE260A, ILE34C, ILE59A, LEU17C, LEU267A, LEU282A, LEU30C, LEU62A, LYS146C, LYS28A, LYS28C, MET14A, MET31C, MET47A, MET47C, PHE110A, PHE13A, PHE156C, PHE213A, PHE254A, PHE65A, PHE66A, PHE72A, PRO145C, PRO149C, PRO152C, PRO154C, PRO165C, PRO212A, PRO252A, PRO36C, PRO49C, PRO63A, PRO67A, PRO78C, SER106A, SER144C, SER158C, SER15C, SER23C, SER269A, SER274A, SER281A, SER33C, SER46A, SER46C, THR155C, THR19A, THR19C, THR20C, THR251A, THR253A, THR39A, THR39C, THR48C, THR70A, THR75C, THR76C, THR80C, THR82C, THR83C, TRP103A, TRP217A, TRP50C, TYR117A, TYR157C, TYR232A, TYR266A, TYR284A, TYR32C, TYR58A, TYR77C, VAL147C, VAL24C, VAL38C, VAL40A, VAL40C, VAL41A, VAL43A, VAL60A
• A-D: ASP37A, ASP37D
• A-E: ALA171A, ALA171E, ARG8A, ARG8A5, ARG8E, ASP37A, ASP37E, CB8.82506-55.02413, CYS35E, GLY172A, GLY172E, PRO36A, PRO36E, PRO9A, PRO9E
• B-C: ALA104C, ALA108C, ALA12C, ALA167B, ALA208C, ALA255C, ALA25B, ALA276C, ALA279C, ALA280C, ALA79B, ALA99C, ARG100C, ARG112C, ARG159B, ARG270C, ARG277C, ARG57C, ARG64C, ARG8C, ASN215C, ASN268C, ASN278C, ASP16B, ASP210C, ASP21B, ASP22B, ASP256C, ASP37B, ASP42B, ASP42C, ASP51B, ASP61C, CYS27B, CYS35B, CYS44C, GLN102C, GLN151B, GLN26B, GLU150B, GLU153B, GLU160B, GLU54C, GLU68C, GLY101C, GLY105C, GLY107C, GLY109C, GLY18B, GLY214C, GLY271C, GLY29B, GLY55C, GLY81B, GLY97C, GLY98C, HIS168B, HIS211C, HIS45B, HIS45C, ILE10C, ILE148B, ILE164B, ILE209C, ILE260C, ILE34B, ILE59C, LEU17B, LEU267C, LEU282C, LEU30B, LEU62C, LYS146B, LYS28B, LYS28C, MET14C, MET31B, MET47B, MET47C, PHE110C, PHE13C, PHE156B, PHE213C, PHE254C, PHE65C, PHE66C, PHE72C, PRO145B, PRO149B, PRO152B, PRO154B, PRO165B, PRO212C, PRO252C, PRO36B, PRO49B, PRO63C, PRO67C, PRO78B, SER106C, SER144B, SER158B, SER15B, SER23B, SER269C, SER274C, SER281C, SER33B, SER46B, SER46C, THR155B, THR19B, THR19C, THR20B, THR251C, THR253C, THR39B, THR39C, THR48B, THR48C, THR70C, THR75B, THR76B, THR80B, THR82B, THR83B, TRP103C, TRP217C, TRP50B, TYR117C, TYR157B, TYR232C, TYR266C, TYR284C, TYR32B, TYR58C, TYR77B, VAL147B, VAL24B, VAL38B, VAL40B, VAL40C, VAL41C, VAL43C, VAL60C
• B-D: ALA171D, ARG8B, ARG8D, ASP37B, ASP37D, GLY172D, PRO36B, PRO36D
• C-D: ARG8C, ARG8D
• C-F: ALA171C, ALA171F, ARG8C, ARG8F, ASP37C, ASP37F, CYS35C, CYS35F, ILE34C, PRO36C, PRO36F
• D-E: ALA104E, ALA108E, ALA12E, ALA167D, ALA208E, ALA255E, ALA257E, ALA25D, ALA276E, ALA279E, ALA280E, ALA283E, ALA79D, ALA99E, ARG100E, ARG112E, ARG159D, ARG270E, ARG277E, ARG57E, ARG64E, ARG8E, ASN215E, ASN268E, ASN278E, ASP16D, ASP210E, ASP21D, ASP22D, ASP256E, ASP37D, ASP42D, ASP42E, ASP51D, ASP61E, CYS27D, CYS35D, CYS44E, GLN102E, GLN151D, GLN26D, GLU150D, GLU153D, GLU160D, GLU54E, GLU68E, GLY101E, GLY105E, GLY107E, GLY109E, GLY18D, GLY214E, GLY271E, GLY29D, GLY55E, GLY81D, GLY97E, GLY98E, HIS168D, HIS211E, HIS45D, HIS45E, ILE10E, ILE148D, ILE164D, ILE209E, ILE260E, ILE34D, ILE59E, LEU17D, LEU267E, LEU282E, LEU30D, LEU62E, LYS146D, LYS28D, LYS28E, MET14E, MET31D, MET47D, MET47E, PHE110E, PHE13E, PHE156D, PHE213E, PHE254E, PHE65E, PHE66E, PHE72E, PRO145D, PRO149D, PRO152D, PRO154D, PRO165D, PRO212E, PRO252E, PRO285E, PRO36D, PRO49D, PRO63E, PRO67E, PRO78D, SER106E, SER144D, SER158D, SER15D, SER23D, SER269E, SER274E, SER281E, SER33D, SER46D, SER46E, THR155D, THR19D, THR19E, THR20D, THR251E, THR253E, THR39D, THR39E, THR48D, THR48E, THR70E, THR75D, THR76D, THR80D, THR82D, THR83D, THR84D, TRP103E, TRP217E, TRP50D, TYR117E, TYR157D, TYR232E, TYR266E, TYR284E, TYR32D, TYR32E, TYR58E, TYR77D, VAL147D, VAL24D, VAL38D, VAL40D, VAL40E, VAL41E, VAL43E, VAL60E
• D-F: ALA104D, ALA108D, ALA12D, ALA167F, ALA208D, ALA255D, ALA25F, ALA276D, ALA279D, ALA280D, ALA79F, ALA99D, ARG100D, ARG112D, ARG159F, ARG270D, ARG277D, ARG57D, ARG64D, ARG8D, ASN215D, ASN268D, ASN278D, ASP16F, ASP210D, ASP21F, ASP22F, ASP256D, ASP37D, ASP37F, ASP42D, ASP42F, ASP61D, CYS27F, CYS35F, CYS44D, GLN102D, GLN151F, GLN26F, GLU150F, GLU153F, GLU160F, GLU54D, GLU68D, GLY101D, GLY105D, GLY107D, GLY109D, GLY18F, GLY214D, GLY271D, GLY29F, GLY55D, GLY81F, GLY97D, GLY98D, HIS168F, HIS211D, HIS45D, HIS45F, ILE10D, ILE148F, ILE164F, ILE209D, ILE260D, ILE34F, ILE59D, LEU17F, LEU267D, LEU282D, LEU30F, LEU62D, LYS146F, LYS28D, LYS28F, MET14D, MET31F, MET47D, MET47F, PHE110D, PHE13D, PHE156F, PHE213D, PHE254D, PHE65D, PHE66D, PHE72D, PRO145F, PRO149F, PRO152F, PRO154F, PRO165F, PRO212D, PRO252D, PRO36F, PRO49F, PRO63D, PRO67D, PRO78F, SER106D, SER144F, SER158F, SER15F, SER23F, SER269D, SER274D, SER281D, SER33F, SER46D, SER46F, THR155F, THR19D, THR19F, THR20F, THR251D, THR253D, THR39D, THR39F, THR48D, THR48F, THR70D, THR76F, THR80F, THR82F, THR83F, THR84F, TRP103D, TRP217D, TRP50F, TYR117D, TYR157F, TYR232D, TYR266D, TYR272D, TYR284D, TYR32F, TYR58D, TYR77F, VAL147F, VAL24F, VAL38F, VAL40D, VAL40F, VAL41D, VAL43D, VAL60D
• E-F: ALA104F, ALA108F, ALA12F, ALA167E, ALA208F, ALA255F, ALA25E, ALA276F, ALA279F, ALA280F, ALA283F, ALA79E, ALA99F, ARG100F, ARG112F, ARG159E, ARG270F, ARG277F, ARG57F, ARG64F, ARG8F, ASN215F, ASN268F, ASN278F, ASP16E, ASP210F, ASP21E, ASP22E, ASP256F, ASP37E, ASP42E, ASP42F, ASP51E, ASP61F, CYS27E, CYS35E, CYS44F, GLN102F, GLN151E, GLN26E, GLU150E, GLU153E, GLU160E, GLU54F, GLU68F, GLY101F, GLY105F, GLY107F, GLY109F, GLY18E, GLY214F, GLY271F, GLY29E, GLY55F, GLY81E, GLY97F, GLY98F, HIS168E, HIS211F, HIS45E, HIS45F, ILE10F, ILE148E, ILE164E, ILE209F, ILE260F, ILE34E, ILE59F, LEU17E, LEU267F, LEU282F, LEU30E, LEU62F, LYS146E, LYS28E, LYS28F, MET14F, MET31E, MET47E, MET47F, PHE110F, PHE13F, PHE156E, PHE213F, PHE254F, PHE65F, PHE66F, PHE72F, PRO145E, PRO149E, PRO152E, PRO154E, PRO165E, PRO212F, PRO252F, PRO36E, PRO49E, PRO63F, PRO67F, PRO78E, SER106F, SER144E, SER158E, SER15E, SER23E, SER269F, SER274F, SER281F, SER33E, SER46E, SER46F, THR155E, THR19E, THR19F, THR20E, THR251F, THR253F, THR39E, THR39F, THR48E, THR48F, THR70F, THR75E, THR76E, THR80E, THR82E, THR83E, THR84E, TRP103F, TRP217F, TRP50E, TYR117F, TYR157E, TYR232F, TYR266F, TYR284F, TYR32E, TYR58F, TYR77E, VAL147E, VAL24E, VAL38E, VAL40E, VAL40F, VAL41F, VAL43F, VAL60F