3PFR

crystal structure of d-glucarate dehydratase related protein from actinobacillus succinogenes complexed with d-glucarate

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 65
  • Norm. En. per Res.: -6.8988
• Hub Node: A(3)

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	-10.3592	0.9478	-43.3006	-52.712	54	10	0	2983	0	14	14
A-C	-78.5078	-149.096	-211.283	-438.8868	65	23	1	6765	9	26	28
A-D	-19.3878	-38.5352	-299.502	-357.425	130	8	4	11951	3	18	17
B-C	-24.6428	-49.794	-298.661	-373.0978	126	9	4	12002	3	18	17
B-D	-83.2572	-148.3628	-216.803	-448.4231	65	16	1	6683	10	26	27
C-D	-10.4651	-3.57	-47.9168	-61.9519	52	2	0	2802	0	13	12

Interface residues

• A-B: ALA277A, ALA277B, ALA302A, ALA302B, ARG232A, ARG232B, ARG280A, ARG280B, ARG281A, ARG281B, ARG282A, ARG282B, ASN254A, ASN254B, ASN331A, ASN331B, ASP255A, ASP255B, ASP309A, ASP309B, CYS330A, CYS330B, GLN306A, GLN306B, GLU278A, GLU278B, GLU332A, GLU332B, GLY284A, GLY284B, GLY334A, GLY334B, ILE285A, ILE285B, ILE303A, ILE303B, LEU305A, LEU305B, LEU335A, LEU335B, LYS251A, LYS251B, PRO286A, PRO286B, SER307A, SER307B, THR283A, THR283B, THR336A, THR336B, TRP333A, TRP333B, VAL308A, VAL308B
• A-C: ALA277A, ALA277C, ALA293A, ALA293C, ALA302A, ALA302C, ARG273A, ARG273C, ARG281A, ARG281C, ARG282A, ARG282C, ARG297A, ARG297C, ARG440C, ASN268A, ASN268C, ASN295A, ASN295C, ASP244A, ASP244C, CYS300A, CYS300C, GLN306A, GLN306C, GLU267A, GLU267C, GLU274A, GLU274C, GLU278A, GLU278C, GLU298A, GLU298C, GLY266A, GLY266C, GLY269A, GLY269C, GLY272A, GLY272C, HIS301A, HIS301C, ILE247A, ILE247C, ILE275A, ILE275C, ILE292A, ILE292C, ILE303A, ILE303C, LEU243A, LEU243C, LEU305A, LEU305C, PHE279A, PHE279C, SER271A, SER271C, SER307A, SER307C, THR294A, THR294C, TRP296A, TRP296C, TYR270A, TYR270C
• A-D: ALA134A, ALA134D, ALA293A, ALA293D, ALA302A, ALA302D, ALA327A, ALA327D, ALA358A, ALA358D, ARG143A, ARG143D, ARG297A, ARG297D, ARG325A, ARG325D, ARG76A, ASN295A, ASN295D, ASN331A, ASN331D, ASN82A, ASN82D, ASN86A, ASN86D, ASN90A, ASN90D, ASP144A, ASP144D, ASP87A, ASP87D, CYS300A, CYS300D, CYS330A, CYS330D, GLN127A, GLN127D, GLN142A, GLN142D, GLN306D, GLN328A, GLN328D, GLU118A, GLU118D, GLU135A, GLU135D, GLU298A, GLU298D, GLU332A, GLU332D, GLY126A, GLY126D, GLY130A, GLY130D, GLY138A, GLY138D, GLY140A, GLY140D, GLY322A, GLY322D, GLY334A, GLY334D, HIS301A, HIS301D, HIS89A, HIS89D, ILE303A, ILE303D, ILE78A, ILE78D, ILE80A, ILE80D, ILE84A, ILE84D, LEU129A, LEU129D, LEU136A, LEU136D, LEU137A, LEU137D, LEU329A, LEU329D, LEU335A, LEU335D, LEU81A, LEU81D, LYS141A, LYS141D, LYS83A, LYS83D, PHE107A, PHE107D, PHE128A, PHE128D, PRO132A, PRO132D, PRO139A, PRO139D, PRO360A, PRO360D, PRO77A, PRO77D, PRO9A, PRO9D, SER324A, SER324D, SER79A, SER79D, SER7A, SER7D, THR319A, THR319D, THR321A, THR321D, TRP296A, TRP296D, TRP318A, TRP318D, TRP333A, TRP333D, VAL131A, VAL131D, VAL133A, VAL133D, VAL326A, VAL326D, VAL85A, VAL85D, VAL8A, VAL8D
• B-C: ALA134B, ALA134C, ALA293B, ALA293C, ALA302B, ALA302C, ALA327B, ALA327C, ALA358B, ALA358C, ARG143B, ARG143C, ARG297B, ARG297C, ARG325B, ARG325C, ASN295B, ASN295C, ASN331B, ASN331C, ASN82B, ASN82C, ASN86B, ASN86C, ASN90B, ASN90C, ASP144B, ASP144C, ASP87B, ASP87C, CYS300B, CYS300C, CYS330B, CYS330C, GLN127B, GLN127C, GLN142B, GLN142C, GLN306C, GLN328B, GLN328C, GLU118C, GLU135B, GLU135C, GLU298B, GLU298C, GLU332B, GLU332C, GLY126B, GLY126C, GLY130B, GLY130C, GLY138B, GLY138C, GLY140B, GLY140C, GLY322B, GLY322C, GLY334B, GLY334C, HIS301B, HIS301C, HIS89B, HIS89C, ILE303B, ILE303C, ILE78B, ILE78C, ILE80B, ILE80C, ILE84B, ILE84C, LEU129B, LEU129C, LEU136B, LEU136C, LEU137B, LEU137C, LEU329B, LEU329C, LEU335B, LEU335C, LEU81B, LEU81C, LYS141B, LYS141C, LYS83B, LYS83C, PHE107B, PHE107C, PHE128B, PHE128C, PRO132B, PRO132C, PRO139B, PRO139C, PRO360B, PRO360C, PRO77B, PRO77C, PRO9B, PRO9C, SER324B, SER324C, SER79B, SER79C, SER7B, SER7C, THR321B, THR321C, TRP296B, TRP296C, TRP318B, TRP318C, TRP333B, TRP333C, VAL131B, VAL131C, VAL133B, VAL133C, VAL326B, VAL326C, VAL85B, VAL85C, VAL8B, VAL8C
• B-D: ALA277B, ALA277D, ALA293B, ALA293D, ALA302B, ALA302D, ARG273B, ARG273D, ARG281B, ARG281D, ARG282B, ARG297B, ARG297D, ARG440B, ARG440D, ASN268B, ASN268D, ASN295B, ASN295D, ASP244B, ASP244D, CYS300B, CYS300D, GLN306B, GLN306D, GLU267B, GLU267D, GLU274B, GLU274D, GLU278B, GLU278D, GLU298B, GLU298D, GLY266B, GLY266D, GLY269B, GLY269D, GLY272B, GLY272D, HIS301B, HIS301D, ILE247B, ILE247D, ILE275B, ILE275D, ILE292B, ILE292D, ILE303B, ILE303D, LEU243B, LEU243D, LEU305B, LEU305D, PHE279B, PHE279D, SER271B, SER271D, SER307B, SER307D, THR294B, THR294D, TRP296B, TRP296D, TYR270B, TYR270D
• C-D: ALA277C, ALA277D, ALA302C, ARG232C, ARG280C, ARG280D, ARG281C, ARG281D, ARG282C, ARG282D, ASN254C, ASN254D, ASN331D, ASN362C, ASP255C, ASP255D, ASP309C, ASP309D, CYS330C, CYS330D, GLN306C, GLN306D, GLU278C, GLU278D, GLU332C, GLU332D, GLY284C, GLY284D, GLY334C, GLY334D, GLY361D, ILE285C, ILE285D, ILE303C, ILE303D, LEU305C, LEU305D, LEU335C, LEU335D, LYS251D, PRO286C, PRO286D, SER307C, SER307D, THR283C, THR283D, THR336C, THR336D, TRP333C, TRP333D, VAL308C, VAL308D