1S2Q

crystal structure of maob in complex with n-propargyl-1(r)- aminoindan (rasagiline)

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 200
  • Norm. En. per Res.: -3.5545
• 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	-140.1806	-42.1225	-528.599	-710.9021	200	30	3	22012	4	68	76

Interface residues

• A-B: ALA175A, ALA175B, ALA346A, ALA346B, ALA349A, ALA349B, ALA353A, ALA353B, ALA35A, ALA35B, ARG233A, ARG233B, ARG282A, ARG282B, ARG288A, ARG288B, ARG350A, ARG350B, ARG354A, ARG354B, ARG360A, ARG360B, ARG36A, ARG36B, ARG412A, ARG412B, ASN145A, ASN145B, ASN251A, ASN251B, ASN275A, ASN275B, ASN283A, ASN283B, ASN387A, ASN387B, ASP144A, ASP144B, ASP153A, ASP153B, ASP239A, ASP239B, CYS389A, CYS389B, CYS397A, CYS397B, GLN284A, GLN284B, GLN392A, GLN392B, GLN409A, GLN409B, GLU141A, GLU141B, GLU142A, GLU142B, GLU150A, GLU150B, GLU176A, GLU176B, GLU179A, GLU179B, GLU248A, GLU248B, GLU253A, GLU253B, GLU390A, GLU390B, GLU391A, GLU391B, GLY269A, GLY269B, GLY292A, GLY292B, GLY395A, GLY395B, GLY396A, GLY396B, GLY405A, GLY405B, HIS178A, HIS178B, HIS252A, HIS252B, HIS273A, HIS273B, HIS347A, HIS347B, ILE236A, ILE236B, ILE238A, ILE238B, ILE264A, ILE264B, ILE272A, ILE272B, ILE286A, ILE286B, ILE295A, ILE295B, ILE406A, ILE406B, LEU250A, LEU250B, LEU268A, LEU268B, LEU278A, LEU278B, LEU291A, LEU291B, LEU352A, LEU352B, LEU355A, LEU355B, LYS149A, LYS149B, LYS154A, LYS154B, LYS271A, LYS271B, LYS348A, LYS348B, LYS351A, LYS351B, MET146A, MET146B, MET254A, MET254B, MET270A, MET270B, MET280A, MET280B, MET281A, MET281B, MET285A, MET285B, PHE274A, PHE274B, PRO234A, PRO234B, PRO265A, PRO265B, PRO266A, PRO266B, PRO276A, PRO276B, PRO277A, PRO277B, PRO279A, PRO279B, PRO290A, PRO290B, PRO403A, PRO403B, PRO404A, PRO404B, SER181A, SER181B, SER293A, SER293B, SER394A, SER394B, THR147A, THR147B, THR174A, THR174B, THR177A, THR177B, THR249A, THR249B, THR267A, THR267B, THR287A, THR287B, THR399A, THR399B, THR400A, THR400B, THR408A, THR408B, TRP388A, TRP388B, TYR237A, TYR237B, TYR393A, TYR393B, TYR401A, TYR401B, TYR410A, TYR410B, VAL173A, VAL173B, VAL180A, VAL180B, VAL235A, VAL235B, VAL289A, VAL289B, VAL294A, VAL294B