2BD0

chlorobium tepidum sepiapterin reductase complexed with nadp and sepiapterin

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 120
  • Norm. En. per Res.: -5.0586
• 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	-44.7393	-48.5547	-485.466	-578.76	132	19	7	18870	6	22	34
A-C	-160.4338	-89.9486	-370.85	-621.2324	125	16	7	14331	6	38	43
B-D	-154.5671	-96.1725	-356.29	-607.0296	120	17	7	13796	8	39	37
C-D	-69.3488	-52.9942	-497.802	-620.145	135	14	8	18793	6	22	34

Interface residues

• A-B: ALA101A, ALA101B, ALA127A, ALA127B, ALA130A, ALA130B, ALA147A, ALA147B, ALA148A, ALA148B, ALA151A, ALA151B, ALA176A, ALA176B, ALA71B, ARG134B, ARG153A, ARG153B, ARG166A, ARG166B, ARG173A, ARG173B, ARG177A, ARG177B, ARG74B, ASN115A, ASN115B, ASN117A, ASN117B, ASP104A, ASP104B, ASP109A, ASP109B, ASP111A, ASP111B, CYS159A, CYS159B, CYS179A, GLN126A, GLN126B, GLN165A, GLN165B, GLU107A, GLU107B, GLU108A, GLU108B, GLU133A, GLU133B, GLU170A, GLU170B, GLY100A, GLY100B, GLY120A, GLY120B, GLY164A, GLY164B, GLY167A, GLY167B, HIS154A, HIS154B, ILE140A, ILE157A, ILE157B, LEU102A, LEU102B, LEU105A, LEU105B, LEU118A, LEU118B, LEU168A, LEU168B, LEU174A, LEU174B, LYS119A, LYS119B, LYS150A, LYS150B, LYS162A, LYS162B, LYS178A, LYS178B, MET114A, MET114B, MET160A, MET160B, MET172A, MET172B, MET70A, MET70B, PHE110A, PHE110B, PHE122A, PHE122B, PHE123A, PHE123B, PHE129A, PHE129B, PHE142A, PHE142B, PHE152A, PHE152B, PHE163A, PHE163B, SER103A, SER103B, SER155A, SER155B, SER156A, SER156B, SER161A, SER161B, SER68A, THR106A, THR106B, THR116A, THR116B, THR121A, THR121B, THR125A, THR125B, THR149A, THR149B, THR171A, THR171B, TYR112A, TYR112B, TYR158A, TYR158B, TYR175A, TYR175B, VAL169A, VAL169B
• A-C: ALA176A, ALA176C, ALA190A, ALA190C, ALA205A, ALA205C, ALA214A, ALA214C, ALA215A, ALA215C, ALA220A, ALA220C, ARG166A, ARG166C, ARG173A, ARG173C, ARG177A, ARG177C, ARG182A, ARG182C, ARG226A, ARG226C, ARG235A, ARG235C, ASN180A, ASN180C, ASP185A, ASP185C, ASP212A, ASP212C, ASP240A, ASP240C, CYS179A, CYS179C, GLN187A, GLN187C, GLN204A, GLN204C, GLN219A, GLN219C, GLN223A, GLN223C, GLU170A, GLU170C, GLU211A, GLU211C, GLU21A, GLU230A, GLU230C, GLU231A, GLU231C, GLY138A, GLY138C, GLY189A, GLY189C, GLY239A, GLY239C, HIS136A, HIS136C, HIS139A, HIS139C, HIS28A, HIS28C, ILE183A, ILE183C, ILE213A, ILE213C, ILE232A, ILE232C, ILE233A, ILE233C, LEU206A, LEU206C, LEU234A, LEU234C, LYS150A, LYS150C, LYS178A, LYS178C, MET207A, MET207C, MET208A, MET208C, MET209A, MET209C, PRO188A, PRO188C, PRO210A, PRO210C, PRO216A, PRO216C, PRO224A, PRO224C, PRO236A, PRO236C, SER137A, SER137C, SER225A, SER225C, SER238A, SER238C, THR149A, THR149C, THR184A, THR184C, THR227A, THR227C, THR237A, THR237C, TYR192A, TYR192C, VAL146A, VAL146C, VAL181A, VAL181C, VAL186A, VAL186C, VAL191A, VAL191C, VAL217A, VAL217C, VAL228A, VAL228C, VAL229A, VAL229C
• B-D: ALA176B, ALA176D, ALA190B, ALA190D, ALA205B, ALA205D, ALA214B, ALA214D, ALA215B, ALA215D, ALA220B, ALA220D, ARG166B, ARG166D, ARG173B, ARG173D, ARG177B, ARG177D, ARG182B, ARG182D, ARG226B, ARG226D, ARG235B, ARG235D, ASN180B, ASN180D, ASP185B, ASP185D, ASP212B, ASP212D, ASP240B, ASP240D, CYS179B, CYS179D, GLN187B, GLN187D, GLN204B, GLN204D, GLN219B, GLN219D, GLN223B, GLN223D, GLU170B, GLU170D, GLU211B, GLU211D, GLU230B, GLU230D, GLU231B, GLU231D, GLY138B, GLY138D, GLY189B, GLY189D, GLY239B, GLY239D, HIS136B, HIS139B, HIS139D, ILE183B, ILE183D, ILE213B, ILE213D, ILE232B, ILE232D, ILE233B, ILE233D, LEU206B, LEU206D, LEU234B, LEU234D, LYS150B, LYS150D, LYS178B, LYS178D, MET207B, MET207D, MET208B, MET208D, MET209B, MET209D, PRO188B, PRO188D, PRO210B, PRO210D, PRO216B, PRO216D, PRO224B, PRO224D, PRO236B, PRO236D, SER137B, SER137D, SER225B, SER225D, SER238B, SER238D, THR149D, THR184B, THR184D, THR227B, THR227D, THR237B, THR237D, TYR192B, TYR192D, VAL146B, VAL146D, VAL181B, VAL181D, VAL186B, VAL186D, VAL191B, VAL191D, VAL217B, VAL217D, VAL228B, VAL228D, VAL229B, VAL229D
• C-D: ALA101C, ALA101D, ALA127C, ALA127D, ALA130C, ALA130D, ALA147C, ALA147D, ALA148C, ALA148D, ALA151C, ALA151D, ALA176C, ALA176D, ARG134D, ARG153C, ARG153D, ARG166C, ARG166D, ARG173C, ARG173D, ARG177C, ARG177D, ARG74D, ASN115C, ASN115D, ASN117C, ASN117D, ASP104C, ASP104D, ASP109C, ASP109D, ASP111C, ASP111D, ASP69C, ASP69D, CYS159C, CYS159D, CYS179D, GLN126C, GLN126D, GLN165C, GLN165D, GLU107C, GLU107D, GLU108C, GLU108D, GLU133C, GLU133D, GLU170C, GLU170D, GLY100C, GLY100D, GLY120C, GLY120D, GLY164C, GLY164D, GLY167C, GLY167D, HIS154C, HIS154D, ILE140D, ILE157C, ILE157D, LEU102C, LEU102D, LEU105C, LEU105D, LEU118C, LEU118D, LEU128D, LEU168C, LEU168D, LEU174C, LEU174D, LYS119C, LYS119D, LYS150C, LYS150D, LYS162C, LYS162D, LYS178C, LYS178D, MET114C, MET114D, MET160C, MET160D, MET172C, MET172D, MET70C, MET70D, PHE110C, PHE110D, PHE122C, PHE122D, PHE123C, PHE123D, PHE129C, PHE129D, PHE142C, PHE142D, PHE152C, PHE152D, PHE163C, PHE163D, SER103C, SER103D, SER155C, SER155D, SER156C, SER156D, SER161C, SER161D, SER68C, SER68D, THR106C, THR106D, THR116C, THR116D, THR121C, THR121D, THR125C, THR125D, THR149C, THR149D, THR171C, THR171D, TYR112C, TYR112D, TYR158C, TYR158D, TYR175C, TYR175D, VAL169C, VAL169D