3CGE

pyridine nucleotide complexes with bacillus anthracis coenzyme a- disulfide reductase: a structural analysis of dual nad(p)h specificity

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 247
  • Norm. En. per Res.: -4.4655
• Hub Node: A(1)

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	-107.1697	-225.7767	-770.033	-1102.9794	247	25	23	29222	16	80	64

Interface residues

• A-B: ALA10A, ALA10B, ALA303A, ALA303B, ALA320A, ALA320B, ALA338A, ALA338B, ALA365A, ALA365B, ALA406A, ALA406B, ALA408A, ALA408B, ALA40A, ALA40B, ALA426A, ALA426B, ALA440A, ALA440B, ALA51A, ALA51B, ALA53A, ALA53B, ALA60A, ALA60B, ARG21A, ARG21B, ARG308A, ARG308B, ARG319A, ARG319B, ARG339A, ARG339B, ARG401A, ARG401B, ARG441A, ARG441B, ARG442A, ARG442B, ARG61A, ARG61B, ASN304A, ASN304B, ASN334A, ASN334B, ASN363A, ASN363B, ASN370A, ASN411A, ASN411B, ASN430A, ASN430B, ASP399A, ASP399B, ASP403A, ASP403B, ASP417A, ASP417B, ASP420A, ASP420B, ASP422A, ASP422B, ASP434A, ASP434B, CYS42A, CYS42B, GLN18A, GLN18B, GLN306A, GLN306B, GLN41A, GLN41B, GLN437A, GLN437B, GLN438A, GLN438B, GLU164A, GLU164B, GLU167A, GLU167B, GLU171A, GLU171B, GLU395A, GLU395B, GLU396A, GLU396B, GLU419A, GLU419B, GLU56A, GLU56B, GLY300A, GLY300B, GLY307A, GLY307B, GLY323A, GLY323B, GLY326A, GLY326B, GLY328A, GLY328B, GLY341A, GLY341B, GLY366A, GLY366B, GLY394A, GLY394B, GLY397A, GLY397B, GLY43A, GLY43B, GLY50A, GLY50B, HIS286A, HIS286B, HIS288A, HIS288B, HIS416A, HIS416B, ILE297A, ILE297B, ILE299A, ILE299B, ILE329A, ILE329B, ILE330A, ILE330B, ILE402A, ILE402B, ILE405A, ILE405B, ILE415A, ILE415B, ILE436A, ILE436B, ILE52A, ILE52B, ILE59A, ILE59B, LEU309A, LEU309B, LEU312A, LEU312B, LEU325A, LEU325B, LEU335A, LEU335B, LEU337A, LEU337B, LEU387A, LEU387B, LEU409A, LEU409B, LEU418A, LEU418B, LEU423A, LEU423B, LEU44A, LEU44B, LEU58A, LEU58B, LYS305A, LYS305B, LYS322A, LYS322B, LYS331A, LYS331B, LYS400A, LYS400B, LYS412A, LYS412B, LYS57A, LYS57B, MET17A, MET17B, MET333A, MET333B, MET364A, MET364B, MET407A, MET407B, MET413A, MET413B, PHE321A, PHE321B, PHE332A, PHE332B, PHE410A, PHE410B, PRO369A, PRO369B, PRO427A, PRO427B, PRO428A, PRO428B, PRO45A, PRO45B, SER14A, SER14B, SER414A, SER414B, SER424A, SER424B, SER431A, SER431B, SER49A, SER49B, SER54A, SER54B, THR301A, THR301B, THR302A, THR302B, THR324A, THR324B, THR327A, THR327B, THR336A, THR336B, THR340A, THR340B, TRP433A, TRP433B, TYR367A, TYR367B, TYR368A, TYR368B, TYR39A, TYR39B, TYR425A, TYR425B, TYR429A, TYR429B, TYR46A, TYR46B, VAL289A, VAL289B, VAL398A, VAL398B, VAL404A, VAL404B, VAL421A, VAL421B, VAL432A, VAL432B, VAL47A, VAL47B