2CDC

sulfolobus solfataricus glucose dehydrogenase 1 in complex with nadp and xylose

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 199
  • Norm. En. per Res.: -5.0805
• 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	-26.9221	-37.0971	-242.465	-306.4842	134	6	4	11081	2	47	36
A-C	-184.4239	-71.2074	-670.506	-926.1373	189	25	29	25471	8	64	45
A-D	0.0	0.7443	-9.8292	-9.0849	21	0	1	861	0	2	11
B-C	0.0	0.8918	-16.4459	-15.5541	23	1	1	1028	0	2	11
B-D	-180.5945	-99.4406	-730.993	-1011.0281	199	23	29	26373	10	64	46
C-D	-26.5046	-32.6962	-246.331	-305.5318	134	9	4	11257	2	48	35

Interface residues

• A-B: ALA321A, ALA321B, ARG103A, ARG103B, ARG201A, ARG201B, ARG97A, ARG97B, ASN180A, ASN180B, ASN98A, ASP131A, ASP131B, ASP144A, ASP175A, ASP175B, ASP176A, ASP176B, ASP83A, ASP83B, CYS174A, CYS174B, CYS99A, CYS99B, GLN309A, GLN309B, GLN314A, GLN314B, GLN315A, GLN315B, GLU143A, GLU143B, GLU164A, GLU164B, GLU206B, GLY102A, GLY102B, GLY177A, GLY177B, GLY204A, GLY204B, GLY78A, GLY78B, HIS312A, HIS312B, HIS319A, HIS319B, HIS77A, ILE138A, ILE142A, ILE142B, ILE145A, ILE145B, LEU100A, LEU100B, LEU135A, LEU135B, LEU163A, LEU179A, LEU179B, LEU199A, LEU199B, LEU205A, LEU205B, LEU320A, LEU320B, LEU326A, LEU326B, LYS133A, LYS133B, LYS137A, LYS137B, LYS140A, LYS140B, LYS167A, LYS167B, LYS227A, LYS227B, LYS310A, LYS310B, LYS324A, LYS324B, PHE313A, PHE313B, PHE79A, PHE79B, PRO104A, PRO104B, PRO132A, PRO132B, PRO139A, PRO139B, PRO170A, PRO170B, PRO311A, PRO311B, PRO328A, PRO328B, SER141A, SER141B, SER322A, SER322B, SER80A, SER80B, THR173A, THR173B, THR178A, THR178B, THR202A, THR202B, THR325A, THR325B, TRP172A, TRP172B, TRP323A, TRP323B, TYR134A, TYR134B, TYR203A, TYR203B, TYR327A, TYR327B, VAL101A, VAL101B, VAL136A, VAL136B, VAL171A, VAL171B, VAL317A, VAL317B, VAL318A, VAL318B, VAL88A, VAL88B
• A-C: ALA256A, ALA256C, ARG103A, ARG103C, ARG168A, ARG168C, ARG182A, ARG182C, ARG270A, ARG270C, ARG90A, ARG90C, ARG97A, ARG97C, ASN259A, ASN259C, ASN271A, ASN271C, ASN299A, ASN299C, ASN307A, ASN307C, ASN98A, ASN98C, ASP105A, ASP105C, ASP175A, ASP175C, ASP176A, ASP176C, ASP248A, ASP248C, ASP252A, ASP252C, ASP257A, ASP257C, ASP288A, ASP288C, CYS107A, CYS107C, CYS174A, CYS174C, CYS181A, CYS181C, CYS96A, CYS96C, CYS99A, CYS99C, GLN166A, GLN166C, GLN293A, GLN293C, GLN309A, GLN309C, GLU108A, GLU108C, GLU111A, GLU111C, GLU114A, GLU114C, GLU160A, GLU160C, GLU161A, GLU161C, GLU164A, GLU164C, GLU294A, GLU294C, GLY102A, GLY102C, GLY110A, GLY110C, GLY177A, GLY177C, GLY255A, GLY255C, GLY262A, GLY262C, GLY272A, GLY272C, GLY275A, GLY275C, GLY278A, GLY278C, GLY283A, GLY283C, GLY304A, GLY304C, HIS297A, HIS297C, HIS312A, HIS312C, ILE117A, ILE117C, ILE162A, ILE162C, ILE260A, ILE265A, ILE265C, ILE295A, ILE295C, ILE302A, ILE302C, ILE303A, ILE303C, ILE95A, ILE95C, LEU100A, LEU100C, LEU179A, LEU179C, LEU261A, LEU261C, LEU274A, LEU274C, LEU276A, LEU276C, LEU287A, LEU287C, LEU292A, LEU292C, LEU305A, LEU305C, LEU50A, LEU50C, LYS157A, LYS157C, LYS167A, LYS167C, LYS290A, LYS290C, LYS300A, LYS300C, PHE106A, PHE106C, PHE112A, PHE112C, PHE277A, PHE277C, PHE279A, PHE279C, PRO104A, PRO104C, PRO170A, PRO170C, PRO286A, PRO286C, SER280A, SER280C, SER282A, SER282C, SER284A, SER284C, THR109A, THR109C, THR173A, THR173C, THR178A, THR178C, THR281A, THR281C, THR291A, THR291C, THR298A, THR298C, THR301A, THR301C, TRP172A, TRP172C, TYR289A, TYR289C, VAL101A, VAL101C, VAL165A, VAL165C, VAL169A, VAL169C, VAL171A, VAL171C, VAL258A, VAL258C, VAL273A, VAL273C, VAL285A, VAL285C, VAL296A, VAL296C, VAL306A, VAL306C
• A-D: ARG97A, ARG97D, ASN98A, ASN98D, GLY102A, GLY102D, GLY177A, GLY177D, LEU100A, LEU100D, LYS133A, LYS167A, LYS167D, PRO170A, PRO170D, THR173A, THR173D, VAL101A, VAL101D, VAL171A, VAL171D
• B-C: ARG103B, ARG97B, ARG97C, ASN98B, ASN98C, CYS99B, GLY102B, GLY102C, GLY177B, GLY177C, LEU100B, LEU100C, LYS133B, LYS167B, LYS167C, PRO170B, PRO170C, THR173B, THR173C, VAL101B, VAL101C, VAL171B, VAL171C
• B-D: ALA256B, ALA256D, ALA41B, ARG103B, ARG103D, ARG168B, ARG168D, ARG182B, ARG182D, ARG270B, ARG270D, ARG90B, ARG90D, ARG97B, ARG97D, ASN259B, ASN259D, ASN271B, ASN271D, ASN299B, ASN299D, ASN307B, ASN307D, ASN98B, ASN98D, ASP105B, ASP105D, ASP175B, ASP175D, ASP176B, ASP176D, ASP248B, ASP248D, ASP252B, ASP252D, ASP257B, ASP257D, ASP288B, ASP288D, CYS107B, CYS107D, CYS174B, CYS174D, CYS181B, CYS181D, CYS96B, CYS96D, CYS99B, CYS99D, GLN166B, GLN166D, GLN293B, GLN293D, GLN309B, GLN309D, GLU108B, GLU108D, GLU111B, GLU111D, GLU114B, GLU114D, GLU160B, GLU160D, GLU161B, GLU161D, GLU164B, GLU164D, GLU294B, GLU294D, GLU44B, GLU44D, GLY102B, GLY102D, GLY110B, GLY110D, GLY177B, GLY177D, GLY255B, GLY255D, GLY262B, GLY262D, GLY269B, GLY269D, GLY272B, GLY272D, GLY275B, GLY275D, GLY278B, GLY278D, GLY283B, GLY283D, GLY304B, GLY304D, HIS297B, HIS297D, HIS312B, HIS312D, ILE117B, ILE117D, ILE162B, ILE162D, ILE260B, ILE260D, ILE265B, ILE265D, ILE295B, ILE295D, ILE302B, ILE302D, ILE303B, ILE303D, ILE95B, ILE95D, LEU100B, LEU100D, LEU179B, LEU179D, LEU261B, LEU261D, LEU274B, LEU274D, LEU276B, LEU276D, LEU287B, LEU287D, LEU292B, LEU292D, LEU305B, LEU305D, LEU50B, LEU50D, LYS157B, LYS157D, LYS167B, LYS167D, LYS290B, LYS290D, LYS300B, LYS300D, LYS49D, PHE106B, PHE106D, PHE112B, PHE112D, PHE277B, PHE277D, PHE279B, PHE279D, PRO104B, PRO104D, PRO170B, PRO170D, PRO286B, PRO286D, PRO311D, SER158B, SER158D, SER280B, SER280D, SER282B, SER282D, SER284B, SER284D, THR109B, THR109D, THR173B, THR173D, THR178B, THR178D, THR281B, THR281D, THR291B, THR291D, THR298B, THR298D, THR301B, THR301D, TRP172B, TRP172D, TYR289B, TYR289D, VAL101B, VAL101D, VAL165B, VAL165D, VAL169B, VAL169D, VAL171B, VAL171D, VAL258B, VAL258D, VAL273B, VAL273D, VAL285B, VAL285D, VAL296B, VAL296D, VAL306B, VAL306D
• C-D: ALA321C, ALA321D, ARG103C, ARG103D, ARG201C, ARG201D, ARG97C, ARG97D, ASN180C, ASN180D, ASN98D, ASP131C, ASP131D, ASP144C, ASP144D, ASP175C, ASP175D, ASP176C, ASP176D, ASP83C, ASP83D, CYS174C, CYS174D, CYS181C, CYS99C, CYS99D, GLN309C, GLN309D, GLN314C, GLN314D, GLN315C, GLN315D, GLU143C, GLU143D, GLU164C, GLU164D, GLY102C, GLY102D, GLY177C, GLY177D, GLY204C, GLY204D, GLY78C, GLY78D, HIS312C, HIS312D, HIS319C, HIS319D, ILE138C, ILE138D, ILE142C, ILE142D, ILE145C, ILE145D, LEU100C, LEU100D, LEU135C, LEU135D, LEU179C, LEU179D, LEU199C, LEU199D, LEU205C, LEU205D, LEU320C, LEU320D, LEU326C, LEU326D, LYS133C, LYS133D, LYS137C, LYS137D, LYS140C, LYS140D, LYS167C, LYS167D, LYS227C, LYS227D, LYS310C, LYS310D, LYS324C, LYS324D, PHE313C, PHE313D, PHE79C, PHE79D, PRO104C, PRO104D, PRO132C, PRO132D, PRO139C, PRO139D, PRO170C, PRO170D, PRO311C, PRO311D, PRO328C, PRO328D, SER141C, SER141D, SER322C, SER322D, SER80C, SER80D, THR173C, THR173D, THR178C, THR178D, THR202C, THR202D, THR325C, THR325D, TRP172C, TRP172D, TRP323C, TRP323D, TYR134C, TYR134D, TYR203C, TYR203D, TYR327C, TYR327D, VAL101C, VAL101D, VAL136C, VAL136D, VAL171C, VAL171D, VAL317C, VAL317D, VAL318C, VAL318D, VAL88C, VAL88D