3OIX

crystal structure of the putative dihydroorotate dehydrogenase from streptococcus mutans

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 193
  • Norm. En. per Res.: -3.9369
• 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	-86.4889	-30.843	-601.586	-718.9179	192	23	18	22866	3	46	41
B-C	-12.2299	-12.1408	-31.4632	-55.8339	40	2	2	1581	0	13	12
C-D	-96.7976	-47.0956	-615.935	-759.8281	193	29	19	23392	4	48	44

Interface residues

• A-B: ALA141B, ALA227A, ALA227B, ALA229A, ALA229B, ALA233A, ALA233B, ALA309A, ALA309B, ALA311A, ALA311B, ALA61A, ALA61B, ARG237A, ARG237B, ARG254A, ARG254B, ARG59B, ASN133A, ASN133B, ASN198A, ASN198B, ASN213A, ASN213B, ASN230A, ASN230B, ASN308A, ASN308B, ASP143A, ASP143B, ASP171A, ASP171B, ASP176A, ASP176B, ASP204A, ASP204B, ASP221A, ASP221B, ASP255A, ASP255B, ASP302A, CYS131B, CYS262A, CYS262B, GLN139A, GLN139B, GLN177A, GLN177B, GLN57A, GLN57B, GLU203A, GLU203B, GLU205A, GLU205B, GLU258A, GLU258B, GLY136A, GLY136B, GLY197A, GLY197B, GLY199A, GLY199B, GLY214A, GLY214B, GLY216A, GLY216B, GLY217A, GLY217B, GLY219A, GLY219B, GLY220A, GLY220B, GLY249A, GLY249B, GLY263A, GLY66A, GLY66B, HIS174A, HIS174B, HIS232A, HIS232B, HIS259A, HIS259B, ILE140A, ILE140B, ILE172A, ILE172B, ILE196A, ILE196B, ILE202A, ILE202B, ILE209A, ILE209B, ILE218A, ILE218B, ILE260A, ILE291A, ILE291B, ILE68A, ILE68B, LEU200A, LEU200B, LEU228A, LEU228B, LEU261A, LEU261B, LEU307A, LEU307B, LEU65A, LEU65B, LYS212A, LYS212B, LYS224A, LYS224B, LYS236A, LYS236B, LYS295A, LYS295B, LYS306A, LYS306B, LYS64A, LYS64B, MET292A, MET292B, MET310A, MET310B, PHE144A, PHE144B, PHE170A, PHE170B, PHE175A, PHE175B, PHE215A, PHE215B, PHE234A, PHE234B, PHE257A, PHE257B, PHE303A, PHE303B, PRO132B, PRO135A, PRO135B, PRO138A, PRO138B, PRO167A, PRO167B, PRO168A, PRO168B, PRO211A, PRO211B, PRO225A, PRO225B, PRO58A, PRO58B, SER130B, SER195A, SER195B, SER67A, SER67B, THR206A, THR206B, THR226A, THR226B, THR63A, THR63B, TYR142A, TYR142B, TYR169A, TYR169B, TYR222A, TYR222B, TYR235A, TYR235B, TYR297A, TYR297B, TYR60A, TYR60B, VAL134A, VAL134B, VAL173A, VAL173B, VAL201A, VAL201B, VAL207A, VAL207B, VAL208A, VAL208B, VAL223A, VAL223B, VAL231A, VAL231B
• B-C: ALA53B, ALA53C, ARG28B, ARG52B, ARG52C, ARG59B, ARG59C, ASN55C, ASN75B, ASN75C, ASN79B, ASP83B, GLN57B, GLN57C, GLU108C, GLU29B, GLU50B, GLU50C, GLU51B, GLU51C, GLY54B, GLY54C, GLY72C, GLY77B, ILE78B, LEU49B, LEU49C, LEU73C, LEU76B, LEU76C, LYS212C, MET104C, MET115B, MET26B, PRO56C, PRO74B, PRO74C, THR27B, THR48C, TYR80B
• C-D: ALA227C, ALA227D, ALA229C, ALA229D, ALA233C, ALA233D, ALA309C, ALA309D, ALA311C, ALA61C, ALA61D, ARG237C, ARG237D, ARG254C, ARG254D, ARG59D, ASN133C, ASN133D, ASN198C, ASN198D, ASN213C, ASN213D, ASN230C, ASN230D, ASN308C, ASN308D, ASP143C, ASP143D, ASP171C, ASP171D, ASP176C, ASP176D, ASP204C, ASP204D, ASP221C, ASP221D, ASP255C, ASP255D, ASP302C, ASP302D, CYS131D, CYS262C, CYS262D, GLN139C, GLN139D, GLN177C, GLN177D, GLN57C, GLN57D, GLU203C, GLU203D, GLU205C, GLU205D, GLU258C, GLU258D, GLU294C, GLY136C, GLY136D, GLY197C, GLY197D, GLY199C, GLY199D, GLY214C, GLY214D, GLY216C, GLY216D, GLY217C, GLY217D, GLY219C, GLY219D, GLY220C, GLY220D, GLY249C, GLY249D, GLY263C, GLY66C, GLY66D, HIS174C, HIS174D, HIS232C, HIS232D, HIS259C, HIS259D, ILE140C, ILE140D, ILE172C, ILE172D, ILE196C, ILE196D, ILE202C, ILE202D, ILE209C, ILE209D, ILE218C, ILE218D, ILE260C, ILE291C, ILE291D, ILE68C, ILE68D, LEU200C, LEU200D, LEU228C, LEU228D, LEU261C, LEU261D, LEU307C, LEU307D, LEU65C, LEU65D, LYS212C, LYS212D, LYS224C, LYS224D, LYS236C, LYS236D, LYS295C, LYS295D, LYS306C, LYS306D, LYS64C, LYS64D, MET292C, MET292D, MET310C, MET310D, PHE144C, PHE144D, PHE170C, PHE170D, PHE175C, PHE175D, PHE215C, PHE215D, PHE234C, PHE234D, PHE257C, PHE257D, PHE303C, PHE303D, PRO132D, PRO135C, PRO135D, PRO138C, PRO138D, PRO167C, PRO167D, PRO168C, PRO168D, PRO211C, PRO211D, PRO225C, PRO225D, PRO56D, PRO58C, PRO58D, SER130D, SER195C, SER195D, SER67C, SER67D, THR206C, THR206D, THR226C, THR226D, THR63C, THR63D, TYR142C, TYR142D, TYR169C, TYR169D, TYR222C, TYR222D, TYR235C, TYR235D, TYR297C, TYR297D, TYR60C, TYR60D, VAL134C, VAL134D, VAL173C, VAL173D, VAL201C, VAL201D, VAL207C, VAL207D, VAL208C, VAL208D, VAL223C, VAL223D, VAL231C, VAL231D