3KD9

crystal structure of pyridine nucleotide disulfide oxidoreductase from pyrococcus horikoshii

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 213
  • Norm. En. per Res.: -3.6946
• 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	-116.2978	-42.4925	-628.164	-786.9542	213	35	32	26357	5	45	48
A-C	-22.2675	-17.5282	-144.99	-184.7856	66	7	0	4880	3	51	40

Interface residues

• A-B: ALA13A, ALA13B, ALA14A, ALA14B, ALA18B, ALA298A, ALA298B, ALA300A, ALA300B, ALA308A, ALA308B, ALA326A, ALA326B, ALA402A, ALA402B, ALA403A, ALA403B, ALA404A, ALA404B, ALA408A, ALA408B, ALA415A, ALA415B, ALA421A, ALA421B, ALA423A, ALA423B, ALA427A, ALA427B, ALA437A, ALA437B, ARG21A, ARG21B, ARG24A, ARG24B, ARG362A, ARG362B, ARG398A, ARG398B, ARG438A, ARG438B, ASN302A, ASN302B, ASN311A, ASN311B, ASP332B, ASP394A, ASP394B, ASP400A, ASP400B, ASP414A, ASP414B, ASP419A, ASP419B, ASP431A, ASP431B, GLU162A, GLU162B, GLU165A, GLU165B, GLU266A, GLU316A, GLU316B, GLU334A, GLU334B, GLU442A, GLU442B, GLY301A, GLY301B, GLY305A, GLY305B, GLY321A, GLY321B, GLY324A, GLY324B, GLY336A, GLY336B, GLY339A, GLY339B, GLY392A, GLY392B, GLY409A, GLY409B, GLY443A, GLY443B, HIS286A, HIS286B, HIS318A, HIS318B, ILE335A, ILE335B, ILE395A, ILE395B, ILE399A, ILE399B, ILE434A, ILE434B, LEU25A, LEU25B, LEU297A, LEU297B, LEU317A, LEU317B, LEU323A, LEU323B, LEU396A, LEU396B, LEU406A, LEU406B, LEU420A, LEU420B, LEU433A, LEU433B, LYS303A, LYS303B, LYS315A, LYS315B, LYS329A, LYS329B, LYS337A, LYS337B, LYS413A, LYS413B, LYS441A, LYS441B, MET16B, MET268A, MET268B, MET304A, MET304B, MET331A, MET331B, MET405A, MET405B, MET407A, MET407B, PHE319A, PHE319B, PHE330A, PHE330B, PHE410A, PHE410B, PHE416A, PHE416B, PHE417A, PHE417B, PHE426A, PHE426B, PRO299A, PRO299B, PRO320A, PRO320B, PRO397A, PRO397B, PRO424A, PRO424B, PRO425A, PRO425B, PRO428A, PRO428B, PRO432A, PRO432B, SER17A, SER17B, SER20A, SER20B, SER310A, SER310B, SER393A, SER393B, SER41A, SER41B, THR284B, THR325A, THR325B, THR328A, THR328B, THR338A, THR338B, THR361A, THR361B, THR401A, THR401B, THR418A, THR418B, TRP430A, TRP430B, TYR158A, TYR158B, TYR306A, TYR306B, TYR365A, TYR366A, TYR366B, TYR422A, TYR422B, VAL287A, VAL287B, VAL295A, VAL295B, VAL307A, VAL307B, VAL322A, VAL322B, VAL327A, VAL327B, VAL333A, VAL333B, VAL429A, VAL429B, VAL435A, VAL439A, VAL439B
• A-C: ALA345A, ALA345C, ARG255A, ARG255C, ARG285A, ARG285C, ARG291A, ARG291C, ARG292A, ARG292C, ASN265A, ASN265C, ASN380A, ASN380C, ASP351A, ASP351C, GLN269A, GLN269C, GLU258A, GLU258C, GLU266A, GLU266C, GLU283A, GLU283C, GLU342A, GLU342C, GLU344A, GLU344C, GLU348A, GLU348C, GLU381A, GLU381C, GLY257A, GLY257C, GLY290A, GLY290C, GLY349A, GLY349C, HIS286A, HIS318A, HIS318C, ILE256C, ILE288A, LEU346A, LEU346C, LYS267A, LYS267C, LYS347A, LYS347C, MET343A, MET343C, SER271A, SER271C, THR264A, THR264C, THR270A, THR270C, THR289A, THR289C, TRP263A, TRP263C, TYR350A, TYR350C, VAL293A, VAL352A, VAL352C