2BP1

structure of the aflatoxin aldehyde reductase in complex with nadph

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 95
  • Norm. En. per Res.: -2.7946
• 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	-13.1214	-2.5547	-249.809	-265.4851	95	7	2	8867	0	39	39
A-C	-13.8201	4.2512	-49.6887	-59.2576	51	1	0	2157	0	22	28
A-D	0.0	0.0	-0.0346	-0.0346	2	0	0	11	0	1	1
B-C	0.0	0.0	-0.0092	-0.0092	4	0	0	3	0	2	1
C-D	-8.4113	7.5793	-258.189	-259.021	95	6	2	8881	0	38	39

Interface residues

• A-B: ALA175A, ALA175B, ALA180A, ALA180B, ALA352A, ALA352B, ARG217A, ARG217B, ASN189A, ASN189B, ASN345A, ASN345B, ASN357A, ASN357B, CYS183A, CYS183B, CYS186A, CYS186B, CYS215A, CYS215B, CYS355A, CYS355B, GLN207A, GLN207B, GLN346A, GLN346B, GLU151A, GLU151B, GLU178A, GLU178B, GLU181A, GLU181B, GLU209A, GLU209B, GLU211A, GLU211B, GLU354A, GLU354B, HIS146A, HIS146B, HIS218A, HIS218B, HIS269A, HIS269B, HIS349A, HIS349B, HIS353A, HIS353B, ILE182A, ILE182B, LEU185A, LEU185B, LEU212A, LEU212B, LEU216A, LEU216B, LEU350A, LEU350B, LYS187A, LYS187B, PHE213A, PHE213B, PHE219A, PHE219B, PHE359A, PHE359B, PRO149A, PRO149B, PRO214A, PRO214B, PRO356B, SER176A, SER176B, SER188A, SER188B, THR184A, THR184B, THR210A, THR210B, TRP177A, TRP177B, TRP348A, TRP348B, TYR174A, TYR174B, TYR358A, TYR358B, VAL150A, VAL150B, VAL179A, VAL179B, VAL208A, VAL208B, VAL351A, VAL351B
• A-C: ALA309A, ARG100A, ARG121C, ARG159C, ARG217A, ARG222A, ARG38A, ASN189C, ASP118C, ASP137A, ASP312A, GLN158C, GLN162C, GLN307A, GLU125C, GLU151C, GLU152C, GLU163C, GLU168A, GLY164C, GLY190C, GLY220A, GLY308A, GLY311A, GLY68A, GLY97A, HIS155C, HIS161A, HIS161C, HIS218A, HIS310A, ILE192C, LEU160C, LEU193A, LEU216A, LEU221A, LYS102A, LYS165C, LYS187A, PHE219A, PHE223A, PRO117C, PRO194A, SER188C, THR195A, THR70A, TRP191C, TYR197A, TYR224A, VAL167A, VAL196A
• A-D: ARG100A, SER188D
• B-C: GLN132C, GLU152B, GLY147B, PRO134C
• C-D: ALA175C, ALA175D, ALA180C, ALA180D, ALA352C, ALA352D, ARG217C, ARG217D, ASN189C, ASN189D, ASN345C, ASN345D, ASN357C, ASN357D, CYS183C, CYS183D, CYS186C, CYS186D, CYS215C, CYS215D, CYS355C, CYS355D, GLN207C, GLN207D, GLN346C, GLN346D, GLU151C, GLU151D, GLU178C, GLU178D, GLU181C, GLU181D, GLU209C, GLU209D, GLU211C, GLU211D, GLU354C, GLU354D, HIS146C, HIS146D, HIS218C, HIS218D, HIS269C, HIS269D, HIS349C, HIS349D, HIS353C, HIS353D, ILE182C, ILE182D, LEU185C, LEU185D, LEU212C, LEU212D, LEU216C, LEU216D, LEU350C, LEU350D, LYS187C, LYS187D, PHE213C, PHE213D, PHE219C, PHE219D, PHE359C, PHE359D, PRO149C, PRO149D, PRO214C, PRO214D, PRO356D, SER176C, SER176D, SER188C, SER188D, THR184C, THR184D, THR210C, THR210D, TRP177C, TRP177D, TRP348C, TRP348D, TYR174C, TYR174D, TYR358C, TYR358D, VAL150C, VAL150D, VAL179C, VAL179D, VAL208C, VAL208D, VAL351C, VAL351D