2B67

crystal structure of the nitroreductase family protein from streptococcus pneumoniae tigr4

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 265
  • Norm. En. per Res.: -5.0108
• Hub Node: A(3)

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	-297.9354	-148.7048	-897.008	-1343.6483	269	41	35	36975	13	79	81
A-C	0.0	-1.618	-99.7777	-101.3957	37	0	8	3827	0	13	15
A-D	0.0	0.0	-0.0043	-0.0043	2	0	0	2	0	1	0
B-C	0.0	17.8494	-16.1016	1.7478	21	0	0	806	0	9	12
C-D	-301.1993	-105.3989	-921.26	-1327.8582	265	33	35	37016	11	84	84

Interface residues

• A-B: ALA129A, ALA129B, ALA12A, ALA12B, ALA132A, ALA132B, ALA136A, ALA136B, ALA142A, ALA142B, ALA29A, ALA29B, ALA33A, ALA33B, ALA36A, ALA36B, ALA39A, ALA39B, ALA77A, ALA77B, ALA88A, ALA88B, ALA92A, ALA92B, ARG10A, ARG10B, ARG118B, ARG172A, ARG172B, ARG191A, ARG191B, ARG201A, ARG201B, ARG27A, ARG27B, ARG51A, ARG51B, ARG87A, ARG87B, ARG89A, ARG89B, ARG93A, ARG93B, ASN131A, ASN131B, ASN138A, ASN138B, ASN151A, ASN151B, ASN162A, ASN162B, ASN41A, ASN41B, ASN54A, ASN54B, ASN65A, ASN65B, ASN7A, ASN7B, ASN98A, ASN98B, ASN99A, ASN99B, ASP126A, ASP126B, ASP145A, ASP145B, ASP157B, ASP195A, ASP195B, ASP81A, ASP81B, CB6.464463.24843, CB6.89710-4.37260, CB9.77574-5.30670, GLN104A, GLN104B, GLN122A, GLN122B, GLN123A, GLN123B, GLN146A, GLN146B, GLN43A, GLN43B, GLU115B, GLU121A, GLU121B, GLU163A, GLU163B, GLU166A, GLU166B, GLU168A, GLU168B, GLU174A, GLU174B, GLU196A, GLU196B, GLU199A, GLU199B, GLU31A, GLU31B, GLU52A, GLU52B, GLU5A, GLU5B, GLY133A, GLY133B, GLY155A, GLY155B, GLY95A, GLY95B, GLY96A, GLY96B, HIS11A, HIS11B, HIS40A, HIS40B, ILE152A, ILE152B, ILE153A, ILE153B, ILE167A, ILE167B, ILE177A, ILE177B, ILE197A, ILE197B, ILE198A, ILE198B, ILE30A, ILE30B, ILE32A, ILE32B, ILE76A, ILE76B, ILE91A, ILE91B, LEU128A, LEU128B, LEU130A, LEU130B, LEU134A, LEU134B, LEU139A, LEU139B, LEU141A, LEU141B, LEU143A, LEU143B, LEU154A, LEU154B, LEU165A, LEU165B, LEU175A, LEU175B, LEU192A, LEU192B, LEU35A, LEU35B, LEU4A, LEU4B, LEU57A, LEU57B, LEU6A, LEU6B, LEU78A, LEU78B, LYS14A, LYS14B, LYS158A, LYS158B, LYS200A, LYS200B, LYS24A, LYS2A, LYS2A5, LYS2B, LYS46A, LYS46B, LYS53A, LYS53B, LYS8A, LYS8B, LYS90A, LYS90B, LYS9A, LYS9B, PHE100A, PHE100B, PHE108A, PHE108B, PHE116A, PHE116B, PHE156A, PHE156B, PHE171A, PHE171B, PHE3A, PHE3B, PHE47A, PHE47B, PHE79A, PHE79B, PRO188A, PRO188B, PRO193A, PRO193B, PRO23A, PRO23B, PRO37A, PRO37B, PRO44A, PRO44B, SER125A, SER125B, SER150A, SER150B, SER189A, SER189B, SER38A, SER38B, SER42A, SER42B, THR144A, THR144B, THR28A, THR28B, THR34A, THR34B, THR75A, THR75B, THR80A, THR80B, THR82B, TRP45A, TRP45B, TYR119A, TYR119B, TYR127A, TYR127B, TYR190A, TYR190B, TYR62A, TYR62B, VAL124A, VAL124B, VAL135A, VAL135B, VAL140A, VAL140B, VAL161A, VAL161B, VAL164A, VAL164B, VAL194A, VAL194B, VAL26A, VAL26B, VAL48A, VAL48B, VAL49A, VAL49B, VAL50A, VAL50B, VAL74A, VAL74B, VAL94A, VAL94B
• A-C: ALA114C, ALA117C, ALA55A, ALA58A, ALA61A, ALA85C, ARG118C, ARG89C, ASN111C, ASN65A, ASP157A, GLN106C, GLU115C, GLU56A, GLU67A, GLY155A, GLY63A, HIS40C, LEU112C, LEU154A, LEU57A, LEU60A, LYS110C, LYS158A, LYS160A, LYS59A, PHE116C, PHE156A, PHE66A, PRO113C, SER120C, SER159A, SER64A, SER70A, TYR107C, TYR119C, TYR62A
• A-D: LYS59A, TYR62D
• B-C: ALA114B, ALA117B, ALA85C, ALA92C, ARG118B, ARG89C, ARG93C, ASN111B, GLN122B, GLN123B, GLU102C, GLU115B, HIS40B, LEU105C, LYS110B, LYS110C, LYS86C, LYS90C, PRO113C, SER120B, TYR119B
• C-D: ALA129C, ALA129D, ALA12C, ALA12D, ALA132C, ALA132D, ALA136C, ALA136D, ALA142C, ALA142D, ALA29C, ALA29D, ALA33C, ALA33D, ALA36C, ALA36D, ALA39C, ALA39D, ALA77C, ALA77D, ALA88C, ALA88D, ALA92C, ALA92D, ARG10C, ARG10D, ARG118C, ARG170C, ARG172C, ARG172D, ARG191C, ARG191D, ARG201C, ARG201D, ARG27C, ARG27D, ARG51C, ARG51D, ARG87C, ARG87D, ARG89C, ARG89D, ARG93C, ARG93D, ASN131C, ASN131D, ASN138C, ASN138D, ASN151C, ASN151D, ASN162C, ASN162D, ASN41C, ASN41D, ASN54C, ASN54D, ASN65C, ASN65D, ASN7C, ASN7D, ASN98C, ASN98D, ASN99C, ASN99D, ASP126C, ASP126D, ASP145C, ASP145D, ASP195C, ASP195D, ASP81C, ASP81D, GLN104C, GLN104D, GLN122C, GLN122D, GLN123C, GLN123D, GLN146C, GLN146D, GLN43C, GLN43D, GLU115C, GLU115D, GLU121C, GLU121D, GLU163C, GLU163D, GLU166C, GLU166D, GLU168C, GLU168D, GLU174C, GLU174D, GLU187D, GLU196C, GLU196D, GLU199C, GLU199D, GLU31C, GLU31D, GLU52C, GLU52D, GLU5C, GLU5D, GLY133C, GLY133D, GLY155C, GLY155D, GLY95C, GLY95D, GLY96C, GLY96D, HIS11C, HIS11D, HIS40C, HIS40D, ILE152C, ILE152D, ILE153C, ILE153D, ILE167C, ILE167D, ILE177C, ILE177D, ILE197C, ILE197D, ILE198C, ILE198D, ILE30C, ILE30D, ILE32C, ILE32D, ILE76C, ILE76D, ILE91C, ILE91D, LEU128C, LEU128D, LEU130C, LEU130D, LEU134C, LEU134D, LEU139C, LEU139D, LEU141C, LEU141D, LEU143C, LEU143D, LEU154C, LEU154D, LEU165C, LEU165D, LEU175C, LEU175D, LEU192C, LEU192D, LEU35C, LEU35D, LEU4C, LEU4D, LEU57C, LEU57D, LEU6C, LEU6D, LEU78C, LEU78D, LYS14C, LYS158C, LYS158D, LYS200C, LYS200D, LYS24D, LYS2C, LYS2D, LYS46C, LYS46D, LYS53C, LYS53D, LYS8C, LYS8D, LYS90C, LYS90D, LYS9C, LYS9D, PHE100C, PHE100D, PHE108C, PHE108D, PHE116C, PHE116D, PHE156C, PHE156D, PHE171C, PHE171D, PHE3C, PHE3D, PHE47C, PHE47D, PHE79C, PHE79D, PRO188C, PRO188D, PRO193C, PRO193D, PRO23C, PRO23D, PRO37C, PRO37D, PRO44C, PRO44D, SER125C, SER125D, SER150C, SER150D, SER189C, SER189D, SER38C, SER38D, SER42C, SER42D, THR144C, THR144D, THR28C, THR28D, THR34C, THR34D, THR75C, THR75D, THR80C, THR80D, TRP45C, TRP45D, TYR119C, TYR119D, TYR127C, TYR127D, TYR190C, TYR190D, TYR62C, TYR62D, VAL124C, VAL124D, VAL135C, VAL135D, VAL140C, VAL140D, VAL161C, VAL161D, VAL164C, VAL164D, VAL194C, VAL194D, VAL26C, VAL26D, VAL48C, VAL48D, VAL49C, VAL49D, VAL50C, VAL50D, VAL74C, VAL74D, VAL94C, VAL94D