1RYE

crystal structure of the shifted form of the glucose-fructose oxidoreductase from zymomonas mobilis

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 168
  • Norm. En. per Res.: -3.6184
• 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	-92.6131	-21.1633	-457.303	-571.0794	168	23	4	18687	4	33	42
A-C	0.0	0.0	-0.0014	-0.0014	2	0	0	1	0	0	0
A-D	-40.9342	-4.0057	-363.438	-408.3779	140	20	8	15892	0	12	13
B-C	-42.6355	1.0065	-312.688	-354.3169	133	34	6	13965	0	8	10
B-D	-14.1574	0.0	-127.727	-141.8844	69	19	2	5437	0	2	4
C-D	-100.0064	-28.6673	-479.22	-607.8937	168	33	4	18644	4	37	41

Interface residues

• A-B: ALA235A, ALA235B, ALA263A, ALA263B, ALA268A, ALA268B, ALA286A, ALA286B, ALA309B, ALA363A, ALA363B, ARG234A, ARG234B, ARG245A, ARG245B, ARG252A, ARG252B, ARG258A, ARG258B, ARG260A, ARG260B, ARG278A, ARG278B, ARG367A, ARG367B, ASN186A, ASN186B, ASN242A, ASN310B, ASP185A, ASP185B, ASP188A, ASP188B, ASP240A, ASP240B, ASP243A, ASP243B, ASP251A, ASP251B, ASP284A, ASP284B, ASP291A, ASP291B, GLN192B, GLN256A, GLN256B, GLN282A, GLN282B, GLN298A, GLN304A, GLN304B, GLU232A, GLU232B, GLY177A, GLY177B, GLY180A, GLY180B, GLY262A, GLY262B, GLY267A, GLY267B, GLY283A, GLY283B, GLY307B, GLY366A, GLY366B, HIS266A, HIS266B, HIS308B, ILE231A, ILE231B, ILE253A, ILE253B, ILE254A, ILE254B, LEU176A, LEU176B, LEU179A, LEU179B, LEU226B, LEU264A, LEU264B, LEU288A, LEU288B, LEU289A, LEU289B, LEU300A, LEU300B, LYS178A, LYS178B, LYS285A, LYS285B, MET181A, MET181B, MET257A, MET257B, MET290A, MET290B, PHE246B, PHE259A, PHE259B, PHE279A, PHE279B, PRO241A, PRO241B, PRO292A, PRO292B, PRO306A, PRO306B, PRO368A, PRO368B, SER187A, SER187B, SER210A, SER239A, SER239B, SER261A, SER261B, SER265A, SER265B, SER269A, SER269B, SER270A, SER270B, SER272A, SER272B, SER277A, SER277B, SER280A, SER280B, SER302A, SER302B, THR183A, THR183B, THR184A, THR184B, THR237A, THR237B, THR273A, THR273B, THR274A, THR274B, THR275A, THR275B, THR276A, THR276B, THR305A, THR305B, THR365A, THR365B, TRP255A, TRP255B, TYR236A, TYR236B, TYR238A, TYR238B, TYR271A, TYR271B, VAL182A, VAL182B, VAL189A, VAL189B, VAL281A, VAL281B, VAL287A, VAL287B, VAL303A, VAL303B
• A-C: THR305A, THR305C
• A-D: ALA15D, ALA196A, ALA1D, ALA206A, ALA22D, ALA321A, ALA327A, ALA43A, ALA52A, ALA52D, ALA5D, ALA67A, ALA67D, ALA70A, ALA70D, ALA74D, ALA75D, ALA7D, ARG117A, ARG17D, ARG200A, ARG202A, ARG203A, ARG245A, ARG30A, ARG30D, ARG82D, ASN193A, ASN242A, ASN322A, ASN323A, ASN45A, ASN45D, ASN66A, ASN66D, ASP191A, ASP194A, ASP240A, ASP243A, ASP29A, ASP80D, ASP86A, CYS54A, GLN192A, GLN197A, GLN198A, GLN298A, GLN324A, GLN46A, GLN46D, GLN55A, GLN9D, GLU113A, GLU204A, GLU244A, GLU248A, GLU28A, GLU68A, GLU68D, GLU76A, GLU76D, GLY16D, GLY38A, GLY40A, GLY40D, GLY50A, GLY50D, GLY53A, GLY53D, GLY65A, GLY6D, GLY78D, ILE23D, ILE72A, ILE72D, ILE84D, LEU106A, LEU110A, LEU201A, LEU205A, LEU300A, LEU39A, LEU39D, LEU3D, LEU44A, LEU44D, LEU48D, LYS41A, LYS41D, LYS69A, LYS69D, LYS71D, MET19D, MET26A, PHE114A, PHE246A, PHE325A, PHE325D, PHE51A, PHE51D, PHE90A, PRO107A, PRO11D, PRO14D, PRO162A, PRO18D, PRO195A, PRO20D, PRO241A, PRO27A, PRO320A, PRO49A, PRO49D, PRO4D, PRO81D, SER109A, SER326A, SER64A, SER88A, SER8D, THR12D, THR13D, THR2D, TRP199A, TYR21D, TYR296A, TYR297A, TYR297D, TYR42A, TYR77A, TYR77D, TYR87A, VAL10D, VAL247A, VAL249A, VAL37A, VAL63A, VAL73A, VAL73D, VAL79D
• B-C: ALA15B, ALA196C, ALA1B, ALA22B, ALA321C, ALA327C, ALA43C, ALA52B, ALA52C, ALA5B, ALA67C, ALA70C, ALA74B, ALA75B, ALA7B, ARG117C, ARG17B, ARG200C, ARG202C, ARG203C, ARG245C, ARG30B, ARG30C, ARG82B, ASN193C, ASN242C, ASN299C, ASN322C, ASN323C, ASN45B, ASN45C, ASN66C, ASP191C, ASP194C, ASP240C, ASP243C, ASP330C, ASP80B, ASP86C, CYS54C, GLN192C, GLN197C, GLN198C, GLN298C, GLN324C, GLN46C, GLN55C, GLN9B, GLU113C, GLU204C, GLU244C, GLU248C, GLU68C, GLU76B, GLU76C, GLY16B, GLY38C, GLY40C, GLY50B, GLY50C, GLY53B, GLY53C, GLY65C, GLY6B, GLY78B, HIS56C, ILE23B, ILE47B, ILE59B, ILE72B, ILE72C, LEU106C, LEU110C, LEU201C, LEU205C, LEU300C, LEU39B, LEU39C, LEU3B, LEU44B, LEU44C, LEU48B, LYS41B, LYS41C, LYS69B, LYS69C, LYS71B, MET163C, MET190C, MET19B, PHE114C, PHE246C, PHE325C, PHE51B, PHE51C, PRO107C, PRO11B, PRO14B, PRO162C, PRO18B, PRO195C, PRO20B, PRO241C, PRO320C, PRO49B, PRO49C, PRO4B, PRO81B, SER109C, SER326C, SER64C, SER88C, SER8B, THR12B, THR13B, THR2B, TRP199C, TYR21B, TYR296C, TYR297B, TYR297C, TYR42C, TYR77B, TYR77C, TYR87C, VAL10B, VAL247C, VAL249C, VAL37C, VAL63C, VAL73B, VAL73C, VAL79B
• B-D: ALA166B, ALA166D, ALA309B, ALA309D, ALA321B, ALA321D, ALA52B, ALA52D, ARG30B, ARG30D, ASN299B, ASN299D, ASN310B, ASN310D, ASN322B, ASN322D, ASN323B, ASN323D, CYS54B, CYS54D, GLN175D, GLN298B, GLN298D, GLN311B, GLN311D, GLN55B, GLN55D, GLU173D, GLY307B, GLY307D, GLY50B, GLY50D, GLY53B, GLY53D, HIS308B, HIS308D, ILE23B, ILE23D, ILE301B, ILE301D, LEU170D, LEU176D, LEU288D, LEU300B, LEU300D, MET163B, MET163D, MET313B, MET313D, MET314B, MET314D, MET319B, PHE51B, PHE51D, PRO162B, PRO162D, PRO320B, PRO320D, SER302B, SER302D, SER312B, SER312D, SER326B, SER326D, THR305B, TYR297B, TYR297D, VAL303B, VAL303D
• C-D: ALA235C, ALA235D, ALA263C, ALA263D, ALA268C, ALA268D, ALA286C, ALA286D, ALA309D, ALA362C, ALA362D, ALA363C, ALA363D, ARG234C, ARG234D, ARG245C, ARG245D, ARG252C, ARG252D, ARG258C, ARG258D, ARG260C, ARG260D, ARG278C, ARG278D, ARG367C, ARG367D, ASN186C, ASN186D, ASN310D, ASP185C, ASP185D, ASP188C, ASP188D, ASP240C, ASP240D, ASP243C, ASP243D, ASP251C, ASP251D, ASP284C, ASP284D, ASP291C, ASP291D, GLN256C, GLN256D, GLN282C, GLN282D, GLN298C, GLN304C, GLN304D, GLU232C, GLU232D, GLY177C, GLY177D, GLY180C, GLY180D, GLY262C, GLY262D, GLY267C, GLY267D, GLY283C, GLY283D, GLY307D, GLY366C, GLY366D, HIS266C, HIS266D, ILE231C, ILE231D, ILE253C, ILE253D, ILE254C, ILE254D, LEU176C, LEU176D, LEU179C, LEU179D, LEU226C, LEU264C, LEU264D, LEU288C, LEU288D, LEU289C, LEU289D, LEU300C, LEU300D, LYS178C, LYS178D, LYS285C, LYS285D, MET181C, MET181D, MET190D, MET257C, MET257D, MET290C, MET290D, PHE259C, PHE259D, PHE279C, PHE279D, PRO241C, PRO241D, PRO292C, PRO292D, PRO306C, PRO306D, PRO368C, PRO368D, SER187C, SER187D, SER210C, SER239C, SER239D, SER261C, SER261D, SER265C, SER265D, SER269C, SER269D, SER270C, SER270D, SER272C, SER272D, SER277C, SER277D, SER280C, SER280D, SER302C, SER302D, THR183C, THR183D, THR184C, THR184D, THR237C, THR237D, THR273C, THR273D, THR274C, THR274D, THR275C, THR275D, THR276C, THR276D, THR305C, THR305D, THR365C, THR365D, TRP255C, TRP255D, TYR236C, TYR236D, TYR238C, TYR238D, TYR271C, TYR271D, TYR297C, VAL182C, VAL182D, VAL189C, VAL189D, VAL281C, VAL281D, VAL287C, VAL287D, VAL303C, VAL303D