3N6H

crystal structure of mandelate racemase/muconate lactonizing protein from actinobacillus succinogenes 130z complexed with magnesium/sulfate

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 69
  • Norm. En. per Res.: -6.0787
• 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	-7.8961	-48.6479	-308.088	-364.632	125	8	4	11915	6	18	14
A-C	-6.5894	33.2391	-67.6229	-40.9731	51	6	0	3299	0	12	12
A-D	-55.1947	-142.3877	-199.477	-397.0594	69	13	1	6531	10	25	28
B-C	-78.1535	-143.3949	-197.879	-419.4273	69	14	1	6418	10	24	27
B-D	-5.1114	-7.0591	-60.2142	-72.3847	48	3	0	2924	0	14	12
C-D	-28.4463	-83.2666	-300.76	-412.4729	119	7	4	11718	6	18	15

Interface residues

• A-B: ALA134A, ALA134B, ALA293A, ALA293B, ALA302A, ALA302B, ALA327A, ALA327B, ALA358A, ALA358B, ARG143B, ARG297A, ARG297B, ARG325A, ARG325B, ARG76B, ASN295A, ASN295B, ASN331A, ASN331B, ASN82A, ASN82B, ASN86A, ASN86B, ASN90A, ASN90B, ASP144B, ASP87A, ASP87B, CYS300A, CYS300B, CYS330A, CYS330B, GLN127A, GLN127B, GLN142A, GLN142B, GLN306A, GLN306B, GLN328A, GLN328B, GLN6B, GLU135A, GLU135B, GLU298A, GLU298B, GLU332A, GLU332B, GLY126A, GLY126B, GLY130A, GLY130B, GLY138A, GLY138B, GLY140A, GLY140B, GLY322A, GLY322B, GLY334A, GLY334B, HIS301A, HIS301B, HIS50A, HIS89B, ILE303A, ILE303B, ILE78A, ILE78B, ILE80A, ILE80B, ILE84A, ILE84B, LEU129A, LEU129B, LEU136A, LEU136B, LEU137A, LEU137B, LEU329A, LEU329B, LEU335A, LEU335B, LEU81A, LEU81B, LYS141A, LYS141B, LYS83A, LYS83B, PHE128A, PHE128B, PRO132A, PRO132B, PRO139A, PRO139B, PRO360A, PRO360B, PRO77A, PRO77B, PRO9A, PRO9B, SER324A, SER324B, SER48A, SER79A, SER79B, SER7A, SER7B, THR321A, THR321B, TRP296A, TRP296B, TRP318A, TRP318B, TRP333A, TRP333B, VAL131A, VAL131B, VAL133A, VAL133B, VAL326A, VAL326B, VAL85A, VAL85B, VAL8A, VAL8B
• A-C: ALA277A, ALA277C, ARG280A, ARG280C, ARG281A, ARG281C, ARG282A, ARG282C, ASN254A, ASN254C, ASN331A, ASN331C, ASN362A, ASN362C, ASP255A, ASP255C, ASP309A, ASP309C, CYS330A, CYS330C, GLN306A, GLN306C, GLU278A, GLU278C, GLU332A, GLU332C, GLY284A, GLY284C, GLY334A, GLY334C, GLY361A, GLY361C, ILE303A, ILE303C, LEU305A, LEU305C, LEU329C, LEU335A, LEU335C, PRO286A, PRO286C, SER307A, SER307C, THR283A, THR283C, THR336A, THR336C, TRP333A, TRP333C, VAL308A, VAL308C
• A-D: ALA104A, ALA277A, ALA277D, ALA293A, ALA293D, ALA302A, ALA302D, ARG273A, ARG273D, ARG281A, ARG281D, ARG282A, ARG282D, ARG297A, ARG297D, ARG440A, ARG440D, ASN268A, ASN268D, ASN295A, ASN295D, ASP244A, ASP244D, CYS300A, CYS300D, GLN306A, GLN306D, GLU267A, GLU267D, GLU274A, GLU274D, GLU278A, GLU278D, GLU298A, GLU298D, GLY266A, GLY266D, GLY269A, GLY269D, GLY272A, GLY272D, HIS301A, HIS301D, ILE247A, ILE247D, ILE275A, ILE275D, ILE292A, ILE292D, ILE303A, ILE303D, LEU243A, LEU243D, LEU305A, LEU305D, PHE107A, PHE279A, PHE279D, SER271A, SER271D, SER307A, SER307D, THR294A, THR294D, TRP105A, TRP296A, TRP296D, TYR270A, TYR270D
• B-C: ALA277B, ALA277C, ALA293B, ALA293C, ALA302B, ALA302C, ARG273B, ARG273C, ARG281B, ARG281C, ARG282B, ARG282C, ARG297B, ARG297C, ARG440B, ARG440C, ASN268B, ASN268C, ASN295B, ASN295C, ASP244B, ASP244C, CYS300B, CYS300C, GLN306B, GLN306C, GLU267B, GLU267C, GLU274B, GLU274C, GLU278B, GLU278C, GLU298B, GLU298C, GLY266B, GLY266C, GLY269B, GLY269C, GLY272B, GLY272C, HIS301B, HIS301C, ILE247B, ILE247C, ILE275B, ILE275C, ILE292B, ILE292C, ILE303B, ILE303C, LEU243B, LEU243C, LEU305B, LEU305C, PHE107B, PHE107C, PHE279B, PHE279C, SER271B, SER271C, SER307B, SER307C, THR106C, THR294B, THR294C, TRP296B, TRP296C, TYR270B, TYR270C
• B-D: ALA277B, ALA277D, ARG280B, ARG280D, ARG281B, ARG281D, ARG282B, ARG282D, ASN254B, ASN254D, ASN331B, ASN331D, ASN362B, ASP255B, ASP255D, ASP309B, ASP309D, CYS330B, CYS330D, GLN306B, GLN306D, GLU278B, GLU278D, GLU332B, GLU332D, GLY284B, GLY284D, GLY334B, GLY334D, GLY361B, ILE303B, ILE303D, LEU305B, LEU305D, LEU335B, LEU335D, PRO286B, PRO286D, SER307B, SER307D, THR283B, THR283D, THR336B, THR336D, TRP333B, TRP333D, VAL308B, VAL308D
• C-D: ALA134C, ALA134D, ALA293C, ALA302C, ALA302D, ALA327C, ALA327D, ALA358C, ALA358D, ARG143C, ARG143D, ARG297C, ARG297D, ARG325C, ARG325D, ASN295C, ASN295D, ASN331C, ASN331D, ASN82C, ASN82D, ASN86C, ASN86D, ASP144C, ASP87C, ASP87D, CYS300C, CYS300D, CYS330D, GLN127C, GLN127D, GLN142C, GLN142D, GLN306C, GLN306D, GLN328C, GLN328D, GLU118C, GLU135C, GLU135D, GLU298C, GLU298D, GLU332C, GLU332D, GLY126C, GLY126D, GLY130C, GLY130D, GLY138C, GLY138D, GLY140C, GLY140D, GLY322C, GLY322D, GLY334C, GLY334D, HIS301C, HIS301D, ILE303C, ILE303D, ILE78C, ILE78D, ILE80C, ILE80D, ILE84C, ILE84D, LEU129C, LEU129D, LEU136C, LEU136D, LEU137C, LEU137D, LEU329C, LEU329D, LEU335C, LEU335D, LEU81C, LEU81D, LYS141C, LYS141D, LYS83C, LYS83D, PHE128C, PHE128D, PRO132C, PRO132D, PRO139C, PRO139D, PRO360C, PRO360D, PRO397D, PRO77C, PRO77D, PRO9C, PRO9D, SER324C, SER324D, SER79C, SER79D, SER7C, SER7D, THR321C, THR321D, TRP296C, TRP296D, TRP318C, TRP318D, TRP333C, TRP333D, VAL131C, VAL131D, VAL133C, VAL133D, VAL326C, VAL326D, VAL85C, VAL85D, VAL8C, VAL8D