3CEA

crystal structure of myo-inositol 2-dehydrogenase (np_786804.1) from lactobacillus plantarum at 2.40 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 55
  • Norm. En. per Res.: -4.2194
• 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	-45.6213	0.0	-186.444	-232.0653	55	6	3	6754	0	16	9
A-C	-127.8893	-10.1587	-333.511	-471.5589	131	23	11	12984	0	36	46
A-D	-53.2016	0.8615	-479.554	-531.8941	158	16	14	19082	11	34	33
B-C	-59.6604	1.8939	-472.477	-530.2435	157	14	14	19205	8	32	32
B-D	-128.6028	-9.3221	-335.273	-473.1978	126	19	11	12971	0	36	46
C-D	-49.0984	0.0	-179.152	-228.2504	55	5	3	6690	0	15	9

Interface residues

• A-B: ALA245A, ALA245B, ALA246A, ALA246B, ARG283A, ARG283B, ASN277A, ASN277B, ASP269A, ASP269B, ASP278A, ASP278B, GLN250A, GLN250B, GLN279A, GLN279B, GLN287A, GLN287B, GLU252A, GLU252B, GLU266A, GLU266B, GLY248A, GLY248B, GLY265A, GLY265B, GLY280A, GLY280B, HIS247A, HIS247B, HIS267A, HIS267B, ILE163A, ILE163B, LEU270A, LEU270B, LEU286A, LEU286B, PHE276A, PHE276B, PRO162B, PRO268A, PRO268B, PRO284A, PRO284B, SER285A, SER285B, THR274A, THR274B, VAL275A, VAL275B, VAL281A, VAL281B, VAL282A, VAL282B
• A-C: ALA140A, ALA140C, ARG138A, ARG138C, ARG156A, ARG156C, ARG24A, ARG24C, ARG263A, ARG263C, ARG272A, ARG272C, ARG283A, ARG283C, ARG292A, ARG292C, ASN249A, ASN249C, ASN259A, ASN259C, ASN271A, ASN271C, ASN277A, ASN277C, ASN28A, ASN28C, ASP134A, ASP134C, ASP135A, ASP135C, ASP148A, ASP148C, ASP269A, ASP269C, ASP278A, ASP278C, ASP294C, ASP299A, ASP299C, GLN302A, GLN302C, GLN31A, GLN31C, GLU252A, GLU252C, GLU254A, GLU254C, GLU266A, GLU266C, GLU291A, GLU291C, GLU56C, GLY257A, GLY257C, GLY260A, GLY260C, GLY265A, GLY265C, GLY280A, GLY280C, GLY54C, HIS25A, HIS25C, HIS267A, HIS267C, ILE143A, ILE143C, ILE149A, ILE149C, ILE264A, ILE264C, ILE30A, ILE30C, LEU253A, LEU253C, LEU26C, LEU270A, LEU270C, LEU286A, LEU286C, LYS141A, LYS141C, LYS142A, LYS142C, LYS29A, LYS29C, PHE196A, PHE196C, PHE276A, PHE276C, PHE293A, PHE293C, PRO268A, PRO268C, PRO284A, PRO284C, SER136A, SER136C, SER285A, SER285C, THR274A, THR274C, THR295A, THR295C, THR298A, THR298C, THR4A, TRP261A, TRP261C, TYR137A, TYR137C, TYR139A, TYR139C, VAL144A, VAL144C, VAL251A, VAL251C, VAL255A, VAL255C, VAL262A, VAL262C, VAL273A, VAL273C, VAL275A, VAL275C, VAL27A, VAL27C, VAL281A, VAL281C, VAL282A, VAL282C
• A-D: ALA204A, ALA204D, ALA212A, ALA212D, ALA213A, ALA213D, ALA227A, ALA227D, ALA237A, ALA237D, ALA245A, ALA245D, ALA246A, ALA246D, ALA335A, ALA335D, ARG156A, ARG156D, ARG243A, ARG243D, ARG263A, ARG263D, ASN210A, ASN210D, ASN249A, ASN249D, ASN259A, ASN259D, ASP148A, ASP148D, ASP161A, ASP161D, ASP233A, ASP233D, ASP342A, ASP342D, GLN199A, GLN203A, GLN203D, GLN228A, GLN228D, GLN250A, GLN250D, GLN279A, GLN279D, GLU223A, GLU223D, GLU252A, GLU252D, GLU254A, GLU254D, GLU266A, GLU266D, GLY150A, GLY150D, GLY159A, GLY159D, GLY206A, GLY206D, GLY225A, GLY225D, GLY234A, GLY234D, GLY241A, GLY241D, GLY242A, GLY242D, GLY248A, GLY248D, GLY257A, GLY257D, GLY260A, GLY260D, GLY265A, GLY265D, GLY280A, GLY338A, GLY338D, HIS244A, HIS244D, HIS247A, HIS247D, HIS267A, HIS267D, ILE149A, ILE149D, ILE152A, ILE152D, ILE153A, ILE153D, ILE160A, ILE160D, ILE163A, ILE163D, ILE211A, ILE211D, ILE236A, ILE236D, ILE240A, ILE240D, ILE337A, LEU207A, LEU207D, LEU229A, LEU229D, LEU239A, LEU239D, LEU340A, LEU340D, LYS151A, LYS151D, LYS230A, LYS230D, LYS339A, LYS339D, PHE182A, PHE182D, PHE222A, PHE222D, PRO162A, PRO162D, PRO214A, PRO214D, PRO268A, PRO268D, SER209A, SER209D, SER258A, SER258D, SER334A, SER334D, THR208A, THR208D, THR224A, THR224D, THR238A, THR238D, TRP261A, TRP261D, TYR139A, TYR139D, TYR154A, TYR154D, TYR158A, TYR158D, TYR205A, TYR205D, VAL202A, VAL202D, VAL226A, VAL226D, VAL235A, VAL235D, VAL251A, VAL251D, VAL255D, VAL341A, VAL341D
• B-C: ALA204B, ALA204C, ALA212B, ALA212C, ALA213B, ALA213C, ALA227B, ALA227C, ALA237B, ALA237C, ALA245B, ALA245C, ALA246B, ALA246C, ALA335B, ALA335C, ARG156B, ARG156C, ARG243B, ARG243C, ARG263B, ARG263C, ASN210B, ASN210C, ASN249B, ASN249C, ASN259B, ASN259C, ASP148B, ASP148C, ASP161B, ASP161C, ASP233B, ASP233C, ASP342B, ASP342C, GLN199C, GLN203B, GLN203C, GLN228B, GLN228C, GLN250B, GLN250C, GLN279B, GLN279C, GLU223B, GLU223C, GLU252B, GLU252C, GLU254B, GLU254C, GLU266B, GLU266C, GLY150B, GLY150C, GLY159B, GLY159C, GLY206B, GLY206C, GLY225B, GLY225C, GLY234B, GLY234C, GLY241B, GLY241C, GLY242B, GLY242C, GLY248B, GLY248C, GLY257B, GLY257C, GLY260B, GLY260C, GLY265B, GLY265C, GLY338B, GLY338C, HIS244B, HIS244C, HIS247B, HIS247C, HIS267B, HIS267C, ILE149B, ILE149C, ILE152B, ILE152C, ILE153B, ILE153C, ILE160B, ILE160C, ILE163B, ILE163C, ILE211B, ILE211C, ILE236B, ILE236C, ILE240B, ILE240C, ILE337B, LEU207B, LEU207C, LEU229B, LEU229C, LEU239B, LEU239C, LEU340B, LEU340C, LYS151B, LYS151C, LYS230B, LYS230C, LYS339B, LYS339C, PHE182B, PHE182C, PHE222B, PHE222C, PRO162B, PRO162C, PRO214B, PRO214C, PRO268B, PRO268C, SER209B, SER209C, SER258B, SER258C, SER334B, SER334C, THR208B, THR208C, THR224B, THR224C, THR238B, THR238C, TRP261B, TRP261C, TYR139B, TYR139C, TYR154B, TYR154C, TYR158B, TYR158C, TYR205B, TYR205C, VAL202B, VAL202C, VAL226B, VAL226C, VAL235B, VAL235C, VAL251B, VAL251C, VAL255B, VAL341B, VAL341C
• B-D: ALA140B, ALA140D, ARG138B, ARG138D, ARG156B, ARG156D, ARG24B, ARG24D, ARG263B, ARG263D, ARG272B, ARG272D, ARG283B, ARG283D, ARG292B, ARG292D, ASN249B, ASN249D, ASN259B, ASN259D, ASN271B, ASN271D, ASN277B, ASN277D, ASN28B, ASN28D, ASP134B, ASP134D, ASP135B, ASP135D, ASP148B, ASP148D, ASP269B, ASP269D, ASP278B, ASP278D, ASP299B, ASP299D, GLN302B, GLN302D, GLN31B, GLN31D, GLU252B, GLU252D, GLU254B, GLU254D, GLU266B, GLU266D, GLU291B, GLU291D, GLY257B, GLY257D, GLY260B, GLY260D, GLY265B, GLY265D, GLY280B, GLY280D, GLY54D, HIS25B, HIS267B, HIS267D, ILE143B, ILE143D, ILE149B, ILE149D, ILE264B, ILE264D, ILE30B, ILE30D, LEU253B, LEU253D, LEU270B, LEU270D, LEU286B, LEU286D, LYS141B, LYS141D, LYS142B, LYS142D, LYS29B, LYS29D, PHE196B, PHE196D, PHE276B, PHE276D, PHE293B, PHE293D, PRO268B, PRO268D, PRO284B, PRO284D, SER136B, SER136D, SER285B, SER285D, THR274B, THR274D, THR295B, THR295D, THR298B, THR298D, THR4B, TRP261B, TRP261D, TYR137B, TYR137D, TYR139B, TYR139D, VAL144B, VAL251B, VAL251D, VAL255B, VAL255D, VAL262B, VAL262D, VAL273B, VAL273D, VAL275B, VAL275D, VAL27B, VAL27D, VAL281B, VAL281D, VAL282B, VAL282D
• C-D: ALA245C, ALA245D, ALA246C, ALA246D, ARG283C, ARG283D, ASN277C, ASN277D, ASP269C, ASP269D, ASP278C, ASP278D, GLN250C, GLN250D, GLN279C, GLN279D, GLN287C, GLN287D, GLU252C, GLU252D, GLU266C, GLU266D, GLY248C, GLY248D, GLY265C, GLY265D, GLY280C, GLY280D, HIS247C, HIS247D, HIS267C, HIS267D, ILE163C, ILE163D, LEU270C, LEU270D, LEU286C, LEU286D, PHE276C, PHE276D, PRO162D, PRO268C, PRO268D, PRO284C, PRO284D, SER285C, SER285D, THR274C, THR274D, VAL275C, VAL275D, VAL281C, VAL281D, VAL282C, VAL282D