3C2R

crystal structure of the quinolinate phosphoribosyl transferase (bna6) from sachharomyces cerevisiae complexed with the inhibitor phthalate

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 228
  • Norm. En. per Res.: -4.3036
• 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	-101.2144	-139.6854	-740.322	-981.2218	228	56	25	28661	8	80	68

Interface residues

• A-B: ALA105A, ALA105B, ALA109A, ALA109B, ALA182A, ALA182B, ALA189A, ALA189B, ALA193A, ALA193B, ALA195A, ALA195B, ALA200B, ALA294A, ALA294B, ALA43A, ALA43B, ALA99A, ALA99B, ARG107A, ARG107B, ARG115A, ARG115B, ARG143A, ARG143B, ARG150A, ARG150B, ARG151A, ARG151B, ARG166A, ARG166B, ARG194A, ARG194B, ASN111A, ASN111B, ASN178A, ASN178B, ASN188A, ASN188B, ASN192A, ASN192B, ASN20A, ASN20B, ASP168A, ASP168B, ASP177A, ASP177B, ASP17A, ASP17B, ASP227A, ASP227B, ASP25A, ASP25B, ASP288A, ASP288B, ASP30A, ASP30B, ASP39A, ASP39B, CYS197A, CYS197B, GLN282A, GLN282B, GLN49A, GLN49B, GLU106A, GLU106B, GLU153A, GLU153B, GLU206A, GLU206B, GLU24A, GLU24B, GLU42A, GLU42B, GLY118A, GLY118B, GLY148A, GLY148B, GLY184B, GLY198A, GLY198B, GLY257A, GLY283A, GLY283B, GLY32A, GLY32B, GLY33A, GLY33B, GLY37A, GLY37B, HIS179A, HIS179B, HIS281A, HIS281B, HIS295A, HIS295B, ILE102A, ILE102B, ILE112A, ILE112B, ILE119A, ILE119B, ILE180A, ILE180B, ILE203A, ILE203B, ILE287A, ILE287B, LEU103A, LEU103B, LEU104A, LEU104B, LEU110A, LEU110B, LEU113A, LEU113B, LEU149A, LEU149B, LEU152A, LEU152B, LEU169A, LEU169B, LEU175A, LEU175B, LEU22A, LEU22B, LEU259A, LEU259B, LEU291A, LEU291B, LEU293A, LEU293B, LYS100A, LYS100B, LYS144A, LYS144B, LYS176A, LYS176B, LYS191A, LYS191B, LYS202A, LYS202B, LYS292A, LYS292B, LYS41A, LYS41B, LYS48A, LYS48B, MET157A, MET157B, MET172A, MET172B, MET174A, MET174B, MET225B, PHE289A, PHE289B, PHE29A, PHE29B, PHE31A, PHE31B, PHE58A, PHE58B, PRO147A, PRO147B, PRO27A, PRO27B, PRO285A, PRO285B, SER114A, SER114B, SER116A, SER116B, SER170A, SER170B, SER171A, SER171B, SER23A, SER23B, SER278A, SER278B, SER28A, SER28B, SER290A, SER290B, SER38A, SER38B, THR108A, THR108B, THR142A, THR142B, THR145A, THR145B, THR146A, THR146B, THR183A, THR183B, THR284A, THR284B, TRP181A, TRP181B, TRP21A, TRP21B, TYR167A, TYR167B, TYR34A, TYR34B, VAL173A, VAL173B, VAL18A, VAL18B, VAL190A, VAL190B, VAL196A, VAL196B, VAL201A, VAL201B, VAL26A, VAL26B, VAL286A, VAL286B, VAL35A, VAL35B, VAL36A, VAL36B, VAL62A, VAL62B