3GAG

crystal structure of a nitroreductase-like protein (smu.346) from streptococcus mutans at 1.70 a resolution

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 265
  • Norm. En. per Res.: -4.93
• 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	-217.4426	-192.4765	-917.299	-1327.2181	270	26	34	36438	15	90	93
A-C	-10.4174	0.0	-46.9517	-57.3691	32	1	3	1907	0	11	9
B-C	0.0	0.0	-7.6382	-7.6382	16	0	0	374	0	1	6
B-D	0.0	0.0	-0.1701	-0.1701	9	0	0	51	0	5	9
C-D	-215.9088	-197.1896	-893.36	-1306.4584	265	21	34	36135	15	91	92

Interface residues

• A-B: ALA139A, ALA139B, ALA163B, ALA198A, ALA198B, ALA201A, ALA201B, ALA36A, ALA36B, ALA39A, ALA39B, ALA67A, ALA67B, ALA77A, ALA77B, ALA87A, ALA87B, ARG114B, ARG12A, ARG12B, ARG132A, ARG132B, ARG147A, ARG147B, ARG157A, ARG157B, ARG16A, ARG16B, ARG194A, ARG194B, ARG49A, ARG49B, ASN141A, ASN141B, ASN190A, ASN190B, ASN26A, ASN26B, ASN3A, ASN3B, ASN43A, ASN43B, ASN44A, ASN44B, ASN55A, ASN55B, ASN57A, ASN57B, ASN7A, ASN7B, ASP10A, ASP10B, ASP125A, ASP125B, ASP134A, ASP134B, ASP160A, ASP160B, ASP162A, ASP162B, ASP169A, ASP169B, ASP27A, ASP27B, ASP31A, ASP31B, ASP4A, ASP4B, ASP84A, ASP84B, GLN129A, GLN129B, GLN144A, GLN144B, GLN46A, GLN46B, GLN59A, GLN59B, GLN99A, GLN99B, GLU124A, GLU124B, GLU127A, GLU127B, GLU175A, GLU175B, GLU199A, GLU199B, GLU202A, GLU202B, GLU205A, GLU205B, GLU34A, GLU34B, GLY0A, GLY101A, GLY101B, GLY11A, GLY11B, GLY130A, GLY130B, GLY136A, GLY136B, GLY150A, GLY150B, GLY158A, GLY158B, GLY42A, GLY42B, HIS122A, HIS122B, HIS192A, HIS192B, HIS35A, HIS35B, HIS97A, HIS97B, ILE102A, ILE102B, ILE103A, ILE177A, ILE177B, ILE203A, ILE203B, ILE204A, ILE204B, ILE29A, ILE29B, LEU121A, LEU131A, LEU131B, LEU133A, LEU133B, LEU137A, LEU137B, LEU142A, LEU142B, LEU168A, LEU168B, LEU178A, LEU178B, LEU180A, LEU180B, LEU24A, LEU24B, LEU28A, LEU28B, LEU33A, LEU33B, LEU62A, LEU62B, LEU6A, LEU6B, LEU80A, LEU80B, LEU81A, LEU81B, LEU9A, LEU9B, LYS100A, LYS100B, LYS126A, LYS126B, LYS195A, LYS195B, LYS30A, LYS30B, LYS54A, LYS54B, LYS56A, LYS56B, LYS58A, LYS58B, PHE119A, PHE119B, PHE138A, PHE138B, PHE161A, PHE161B, PHE200A, PHE200B, PHE45A, PHE45B, PHE79A, PHE79B, PHE82A, PHE82B, PHE8A, PHE8B, PHE96A, PHE96B, PRO123A, PRO123B, PRO155A, PRO155B, PRO171A, PRO171B, PRO176A, PRO176B, PRO191A, PRO191B, PRO25A, PRO25B, PRO40A, PRO40B, PRO47A, PRO47B, SER14A, SER14B, SER153A, SER153B, SER196A, SER196B, SER37A, SER37B, SER41A, SER41B, SER76A, SER76B, THR128A, THR128B, TRP174A, TRP174B, TRP48A, TRP48B, TRP92A, TRP92B, TRP93B, TYR118A, TYR118B, TYR149A, TYR149B, TYR167A, TYR167B, TYR38A, TYR38B, TYR5A, TYR5B, TYR88A, TYR88B, VAL135A, VAL135B, VAL13A, VAL13B, VAL145A, VAL145B, VAL146A, VAL146B, VAL148A, VAL148B, VAL154A, VAL154B, VAL159A, VAL159B, VAL193A, VAL193B, VAL197A, VAL197B, VAL23A, VAL23B, VAL50A, VAL50B, VAL51A, VAL51B, VAL52A, VAL52B, VAL53A, VAL53B, VAL78A, VAL78B
• A-C: ALA185A, ALA185C, ALA188A, ALA188C, ARG147A, ARG147C, ARG17C, ASN190A, ASN190C, ASN7A, ASP10A, ASP152A, ASP152C, ASP19C, GLN187A, GLN187C, GLY11A, GLY150C, GLY189A, GLY189C, HIS192A, LEU186A, LEU186C, LYS184A, LYS184C, PHE18C, PRO191A, PRO191C, VAL13A, VAL15A, VAL15C, VAL193A
• B-C: ASN190C, ASN3C, ASN7C, ASP10C, GLN99B, GLU107B, GLY101B, HIS192C, HIS97B, ILE102B, ILE103B, LEU6C, LYS100B, PRO191C, THR104B, VAL193C
• B-D: GLN99B, GLU34D, GLY101B, GLY101D, HIS35D, LYS100B, LYS100D, THR104B, TYR38D
• C-D: ALA139C, ALA139D, ALA163D, ALA198C, ALA198D, ALA201C, ALA201D, ALA36C, ALA36D, ALA39C, ALA39D, ALA67C, ALA67D, ALA77C, ALA77D, ALA87C, ALA87D, ARG114D, ARG12C, ARG12D, ARG132C, ARG132D, ARG147C, ARG147D, ARG157C, ARG157D, ARG16C, ARG16D, ARG194C, ARG194D, ARG49C, ARG49D, ASN141C, ASN141D, ASN190C, ASN190D, ASN26C, ASN26D, ASN3C, ASN3D, ASN43C, ASN43D, ASN44C, ASN44D, ASN55C, ASN55D, ASN57C, ASN57D, ASN7C, ASN7D, ASP10C, ASP10D, ASP125C, ASP125D, ASP134C, ASP134D, ASP160C, ASP160D, ASP162C, ASP162D, ASP169C, ASP27C, ASP27D, ASP31C, ASP31D, ASP4C, ASP4D, ASP84C, ASP84D, GLN129C, GLN129D, GLN144C, GLN144D, GLN46C, GLN46D, GLN59C, GLN59D, GLN69D, GLN99C, GLN99D, GLU124C, GLU124D, GLU127C, GLU127D, GLU175C, GLU175D, GLU199C, GLU199D, GLU202C, GLU202D, GLU205C, GLU205D, GLU34C, GLU34D, GLY0C, GLY101C, GLY101D, GLY11C, GLY11D, GLY130C, GLY130D, GLY136C, GLY136D, GLY150C, GLY158C, GLY158D, GLY42C, GLY42D, HIS122C, HIS122D, HIS192C, HIS192D, HIS35C, HIS35D, HIS97C, HIS97D, ILE102C, ILE102D, ILE177C, ILE177D, ILE203C, ILE203D, ILE204C, ILE204D, ILE29C, ILE29D, LEU121C, LEU131C, LEU131D, LEU133C, LEU133D, LEU137C, LEU137D, LEU142C, LEU142D, LEU168C, LEU168D, LEU178C, LEU178D, LEU180C, LEU180D, LEU24C, LEU24D, LEU28C, LEU28D, LEU33C, LEU33D, LEU62C, LEU62D, LEU6C, LEU6D, LEU80C, LEU80D, LEU81C, LEU81D, LEU9C, LEU9D, LYS100C, LYS100D, LYS126C, LYS126D, LYS195C, LYS195D, LYS30C, LYS30D, LYS54C, LYS54D, LYS56C, LYS56D, LYS58C, LYS58D, PHE119C, PHE119D, PHE138C, PHE138D, PHE161C, PHE161D, PHE200C, PHE200D, PHE45C, PHE45D, PHE79C, PHE79D, PHE82C, PHE82D, PHE8C, PHE8D, PHE96C, PHE96D, PRO123C, PRO155C, PRO155D, PRO171C, PRO171D, PRO176C, PRO176D, PRO191C, PRO191D, PRO25C, PRO25D, PRO40C, PRO40D, PRO47C, PRO47D, SER14C, SER14D, SER153C, SER153D, SER196C, SER196D, SER37C, SER37D, SER41C, SER41D, SER76D, THR128C, THR128D, TRP174C, TRP174D, TRP48C, TRP48D, TRP92C, TRP92D, TYR118C, TYR118D, TYR149C, TYR149D, TYR167C, TYR167D, TYR38C, TYR38D, TYR5C, TYR5D, TYR88C, TYR88D, VAL135C, VAL135D, VAL13C, VAL13D, VAL145C, VAL145D, VAL146C, VAL146D, VAL148C, VAL148D, VAL154C, VAL154D, VAL159C, VAL159D, VAL193C, VAL193D, VAL197C, VAL197D, VAL23C, VAL23D, VAL50C, VAL50D, VAL51C, VAL51D, VAL52C, VAL52D, VAL53C, VAL53D, VAL78C, VAL78D