3DB2

crystal structure of a putative nadph-dependent oxidoreductase (dhaf_2064) from desulfitobacterium hafniense dcb-2 at 1.70 a resolution

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 181
  • Norm. En. per Res.: -4.0157
• 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	-90.7526	-16.0087	-620.075	-726.8363	181	29	7	22007	2	42	37
B-C	0.0	-7.034	-13.082	-20.116	18	0	0	644	0	15	10

Interface residues

• A-B: ALA151A, ALA151B, ALA197B, ALA228A, ALA228B, ALA235A, ALA235B, ALA249A, ALA249B, ALA278A, ARG157A, ARG157B, ARG198A, ARG198B, ARG275A, ARG275B, ARG287A, ARG290A, ARG290B, ARG344A, ARG344B, ASN155A, ASN155B, ASN201A, ASN201B, ASN216A, ASN216B, ASN233A, ASN233B, ASN243A, ASN243B, ASN250A, ASN250B, ASN286A, ASP224A, ASP224B, ASP256A, ASP256B, ASP291A, ASP291B, CYS236A, CYS236B, GLN217A, GLN217B, GLN227A, GLN227B, GLN254A, GLN254B, GLU145A, GLU145B, GLU150A, GLU150B, GLU156A, GLU156B, GLU160B, GLU221A, GLU221B, GLU276A, GLU276B, GLU342A, GLU342B, GLU347A, GLU347B, GLY144A, GLY144B, GLY203A, GLY203B, GLY225A, GLY225B, GLY231A, GLY231B, GLY238A, GLY238B, GLY246A, GLY246B, ILE143A, ILE143B, ILE149A, ILE149B, ILE213A, ILE213B, ILE273B, ILE288A, ILE288B, LEU159A, LEU159B, LEU193B, LEU219A, LEU219B, LEU220A, LEU220B, LEU230A, LEU230B, LEU251A, LEU251B, LEU255A, LEU255B, LEU289A, LEU289B, LYS141A, LYS141B, LYS204A, LYS204B, LYS226A, LYS226B, LYS248A, LYS248B, LYS274A, LYS274B, LYS343A, LYS343B, PHE153A, PHE153B, PHE200A, PHE200B, PHE202A, PHE202B, PHE222A, PHE222B, PHE240A, PHE240B, PHE252A, PHE252B, PHE257A, PHE257B, PHE277A, PHE277B, PRO205A, PRO205B, PRO237A, PRO237B, PRO345A, PRO345B, SER147A, SER147B, SER148A, SER148B, SER154A, SER154B, SER241A, SER241B, SER258A, SER258B, SER339A, SER339B, THR208A, THR208B, THR214A, THR214B, THR218A, THR218B, THR232A, THR232B, THR247A, THR247B, TRP234A, TRP234B, TYR207A, TYR207B, TYR229A, TYR229B, TYR245A, TYR245B, VAL146A, VAL146B, VAL152A, VAL152B, VAL196A, VAL196B, VAL199A, VAL199B, VAL215A, VAL215B, VAL239A, VAL239B, VAL244A, VAL244B, VAL340A, VAL340B, VAL346A, VAL346B
• B-C: ARG314C, ASN212B, ASN315C, ASP311C, GLU209B, GLU211B, GLY316C, GLY317C, HIS91C, ILE313C, LYS118C, LYS162B, LYS163B, PRO205B, THR208B, TYR207B, VAL210B, VAL312C