3C61

crystal structure of dihydroorotate dehydrogenase from leishmania donovani

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 194
  • Norm. En. per Res.: -4.4832
• 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	-100.2885	-74.731	-694.724	-869.7435	194	21	31	27293	4	50	38
B-C	0.0	0.0	-0.013	-0.013	4	0	0	18	0	6	5
C-D	-96.9756	-66.8571	-692.822	-856.6546	194	21	31	27187	3	50	38

Interface residues

• A-B: ALA141A, ALA173A, ALA173B, ALA205A, ALA205B, ALA230A, ALA230B, ALA232A, ALA232B, ALA236A, ALA236B, ALA264A, ALA264B, ARG224A, ARG224B, ARG239A, ARG239B, ARG240A, ARG240B, ARG310A, ARG310B, ARG58A, ARG58B, ARG60A, ARG60B, ASN133A, ASN133B, ASN199A, ASN199B, ASN233A, ASN233B, ASN235A, ASN235B, ASP143A, ASP143B, ASP171A, ASP171B, ASP204A, ASP204B, ASP257A, ASP257B, ASP313A, ASP313B, CYS131B, GLN139A, GLN139B, GLN216A, GLN216B, GLU206A, GLU206B, GLU208A, GLU208B, GLU256A, GLU256B, GLU304B, GLY136A, GLY136B, GLY198A, GLY198B, GLY200A, GLY200B, GLY217A, GLY217B, GLY219A, GLY219B, GLY220A, GLY220B, GLY222A, GLY223A, GLY223B, GLY251B, GLY265A, GLY265B, HIS174A, HIS174B, HIS261A, HIS261B, ILE197A, ILE197B, ILE203A, ILE203B, ILE212A, ILE212B, ILE67A, ILE67B, LEU201A, LEU201B, LEU221A, LEU221B, LEU227A, LEU227B, LEU231A, LEU231B, LEU260A, LEU260B, LEU263A, LEU263B, LEU312A, LEU312B, LEU62A, LEU62B, LEU64A, LEU64B, LYS137A, LYS137B, LYS213A, LYS213B, LYS215A, LYS215B, LYS296A, LYS296B, LYS297A, LYS297B, LYS308A, LYS308B, MET294B, PHE144A, PHE144B, PHE170A, PHE170B, PHE172A, PHE172B, PHE175A, PHE175B, PHE218A, PHE218B, PHE237A, PHE237B, PHE259A, PHE259B, PHE305A, PHE305B, PRO132A, PRO132B, PRO135A, PRO135B, PRO138A, PRO138B, PRO167A, PRO167B, PRO168A, PRO168B, PRO214A, PRO214B, PRO228A, PRO228B, PRO55A, PRO55B, PRO57A, PRO57B, PRO63A, PRO63B, SER196A, SER196B, SER209A, SER209B, SER66A, SER66B, THR207A, THR207B, THR229A, THR229B, THR311A, THR311B, THR56A, THR56B, TYR142A, TYR142B, TYR169A, TYR169B, TYR225A, TYR225B, TYR238A, TYR238B, TYR299A, TYR299B, VAL134A, VAL134B, VAL202A, VAL202B, VAL210A, VAL210B, VAL211A, VAL211B, VAL226A, VAL226B, VAL234A, VAL234B, VAL262A, VAL262B, VAL293A, VAL293B, VAL309A, VAL309B
• B-C: ARG310B, ARG310C, LYS308B, LYS308C
• C-D: ALA141C, ALA141D, ALA173C, ALA173D, ALA205C, ALA205D, ALA230C, ALA230D, ALA232C, ALA232D, ALA236C, ALA236D, ALA264C, ALA264D, ARG224C, ARG224D, ARG239C, ARG239D, ARG240C, ARG240D, ARG310C, ARG310D, ARG58C, ARG58D, ARG60C, ARG60D, ASN133C, ASN133D, ASN199C, ASN199D, ASN233C, ASN233D, ASN235C, ASN235D, ASP143C, ASP143D, ASP171C, ASP171D, ASP204C, ASP204D, ASP257C, ASP257D, ASP313C, ASP313D, CYS131C, GLN139C, GLN139D, GLN216C, GLN216D, GLU206C, GLU206D, GLU208C, GLU208D, GLU256C, GLU256D, GLU304C, GLU304D, GLY136C, GLY136D, GLY198C, GLY198D, GLY200C, GLY200D, GLY217C, GLY217D, GLY219C, GLY219D, GLY220C, GLY220D, GLY223C, GLY223D, GLY251C, GLY265C, GLY265D, HIS174C, HIS174D, HIS261C, HIS261D, ILE197C, ILE197D, ILE203C, ILE203D, ILE212C, ILE212D, ILE67C, ILE67D, LEU201C, LEU201D, LEU221C, LEU221D, LEU227C, LEU227D, LEU231C, LEU231D, LEU260C, LEU260D, LEU263C, LEU263D, LEU312C, LEU312D, LEU62C, LEU62D, LEU64C, LEU64D, LYS137C, LYS137D, LYS213C, LYS213D, LYS215C, LYS215D, LYS296D, LYS297C, LYS297D, LYS308C, LYS308D, MET294C, PHE144D, PHE170C, PHE170D, PHE172C, PHE172D, PHE175C, PHE175D, PHE218C, PHE218D, PHE237C, PHE237D, PHE259C, PHE259D, PHE305C, PHE305D, PRO132C, PRO132D, PRO135C, PRO135D, PRO138C, PRO138D, PRO167C, PRO167D, PRO168C, PRO168D, PRO214C, PRO214D, PRO228C, PRO228D, PRO55C, PRO55D, PRO57C, PRO57D, PRO63C, PRO63D, SER196C, SER196D, SER209C, SER209D, SER66C, SER66D, THR207C, THR207D, THR229C, THR229D, THR311C, THR311D, THR56C, THR56D, TYR142C, TYR142D, TYR169C, TYR169D, TYR225C, TYR225D, TYR238C, TYR238D, TYR299C, TYR299D, VAL134C, VAL134D, VAL140C, VAL202C, VAL202D, VAL210C, VAL210D, VAL211C, VAL211D, VAL226C, VAL226D, VAL234C, VAL234D, VAL262C, VAL262D, VAL293C, VAL293D, VAL309C, VAL309D