2C4T

x-ray crystal structure of 5'-fluorodeoxyadenosine synthase from streptomyces cattleya complexed with an inhibitor, an analogue of s-adenosyl methionine

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 145
  • Norm. En. per Res.: -3.915
• Hub Node: A(2)

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	-76.2061	-43.4082	-426.856	-546.4704	147	16	8	16477	4	31	33
A-C	-66.8884	-44.2867	-434.429	-545.6041	148	18	8	16760	4	31	32
B-C	-69.1212	-59.8335	-438.719	-567.6737	145	18	8	16745	5	30	31

Interface residues

• A-B: ALA104B, ALA108B, ALA12B, ALA167A, ALA208B, ALA255B, ALA25A, ALA264B, 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, 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, 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, THR84A, 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, ALA264A, ALA276A, ALA279A, ALA280A, ALA79C, ALA99A, ARG100A, ARG112A, ARG159C, ARG270A, ARG277A, ARG57A, ARG64A, ARG8A, ARG8A5, ASN215A, ASN268A, ASN278A, ASP16C, ASP210A, ASP21C, ASP22C, ASP256A, ASP37C, ASP42A, ASP42C, ASP61A, CB8.12860-5.38328, 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, THR48A, THR48C, THR70A, THR75C, THR76C, THR80C, THR82C, THR83C, THR84C, TRP103A, TRP217A, TRP50C, TYR117A, TYR157C, TYR232A, TYR266A, TYR284A, TYR32C, TYR58A, TYR77C, VAL147C, VAL24C, VAL38C, VAL40A, VAL40C, VAL41A, VAL43A, VAL60A
• B-C: ALA104C, ALA108C, ALA12C, ALA167B, ALA208C, ALA255C, ALA25B, ALA264C, ALA276C, ALA279C, ALA280C, ALA283C, ALA79B, ALA99C, ARG100C, ARG112C, ARG159B, ARG270C, ARG277C, ARG57C, ARG64C, ARG8C, ASN215C, ASN268C, ASN278C, ASP16B, ASP210C, ASP21B, ASP22B, ASP256C, ASP37B, ASP42B, ASP42C, ASP61C, CYS27B, CYS35B, CYS44C, GLN102C, GLN151B, GLN26B, GLU150B, GLU153B, GLU160B, GLU54C, GLU68C, GLY101C, GLY105C, GLY107C, GLY109C, GLY18B, GLY214C, GLY271C, GLY29B, 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