3GG2

crystal structure of udp-glucose 6-dehydrogenase from porphyromonas gingivalis bound to product udp-glucuronate

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 210
  • Norm. En. per Res.: -4.3756
• 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	-114.2928	-10.4103	-794.175	-918.8781	210	24	33	32003	6	65	75
A-C	0.0	0.0	-0.0073	-0.0073	4	0	0	7	0	0	5
A-D	-38.0201	-54.4847	-333.989	-426.4938	170	17	2	13699	3	55	53
B-C	-3.2186	-47.5603	-196.322	-247.1009	123	1	0	8703	2	56	50
B-D	0.0	0.0	-0.0109	-0.0109	6	0	0	9	0	0	6
C-D	-107.2871	1.0121	-792.322	-898.597	212	18	33	31780	3	65	76

Interface residues

• A-B: ALA282A, ALA282B, ALA284A, ALA284B, ALA290A, ALA290B, ALA291A, ALA291B, ALA293A, ALA293B, ALA296A, ALA296B, ALA306A, ALA306B, ALA314A, ALA314B, ALA351A, ALA351B, ALA356A, ALA356B, ALA368A, ALA368B, ARG206A, ARG206B, ARG248A, ARG248B, ARG275A, ARG275B, ARG298A, ARG298B, ARG311A, ARG311B, ARG320A, ARG320B, ARG328A, ARG328B, ARG354A, ARG354B, ARG362A, ARG362B, ARG371A, ARG371B, ASN238A, ASN292A, ASN292B, ASN303A, ASN303B, ASN307A, ASN307B, ASN359A, ASN359B, ASN373A, ASN373B, ASP242A, ASP242B, ASP247A, ASP247B, ASP280A, ASP280B, ASP304A, ASP304B, ASP315A, ASP315B, ASP326A, ASP326B, ASP358A, ASP358B, CYS309A, CYS309B, GLN376A, GLN376B, GLU285A, GLU285B, GLU310A, GLU310B, GLU357A, GLU357B, GLU364A, GLU364B, GLU367A, GLU367B, GLU370A, GLU370B, GLY203A, GLY203B, GLY313A, GLY313B, GLY322A, GLY322B, GLY324A, GLY324B, GLY330A, GLY330B, GLY360A, GLY360B, GLY512A, ILE281A, ILE281B, ILE299A, ILE299B, ILE323A, ILE323B, ILE329A, ILE329B, ILE353A, ILE353B, ILE379A, ILE379B, LEU234A, LEU234B, LEU277A, LEU277B, LEU295A, LEU295B, LEU308A, LEU308B, LEU321A, LEU321B, LEU334A, LEU334B, LEU352A, LEU352B, LEU366A, LEU366B, LYS235A, LYS235B, LYS288A, LYS288B, LYS332A, LYS332B, LYS375A, LYS375B, LYS405A, LYS405B, MET279A, MET279B, MET286A, MET286B, MET294A, MET294B, MET302A, MET302B, MET318A, MET318B, MET363A, MET363B, PHE233A, PHE233B, PHE278A, PHE278B, PHE301A, PHE301B, PHE333A, PHE333B, PHE345A, PHE345B, PRO201A, PRO201B, PRO231A, PRO231B, PRO246A, PRO246B, SER283A, SER283B, SER300A, SER300B, SER317A, SER317B, SER325A, SER325B, SER327A, SER327B, SER331A, SER331B, THR287A, THR287B, THR297A, THR297B, THR355A, THR355B, TYR205A, TYR205B, TYR289A, TYR289B, TYR361A, TYR361B, VAL202A, VAL202B, VAL249A, VAL249B, VAL250A, VAL250B, VAL251A, VAL251B, VAL305A, VAL305B, VAL312A, VAL312B, VAL316A, VAL316B, VAL319A, VAL319B, VAL349A, VAL349B, VAL365A, VAL365B, VAL369A, VAL369B, VAL372A, VAL372B
• A-C: ARG259A, ARG259C, ARG328C, ASN272A
• A-D: ALA102A, ALA102D, ALA134D, ALA139A, ALA139D, ALA481D, ALA98A, ALA98D, ARG135A, ARG135D, ARG141A, ARG141D, ARG275A, ARG275D, ARG320A, ARG320D, ARG475A, ARG475D, ARG495A, ARG495D, ASN103A, ASN103D, ASN136A, ASN136D, ASN238A, ASN238D, ASN272A, ASN272D, ASN273A, ASN273D, ASN496A, ASN496D, ASP241A, ASP241D, ASP242A, ASP315D, ASP454A, ASP454D, ASP478A, ASP478D, ASP80A, ASP80D, CYS96A, CYS96D, GLU126D, GLU130A, GLU130D, GLU470A, GLU470D, GLU473A, GLU473D, GLU499A, GLU499D, GLU99A, GLU99D, GLY101A, GLY101D, GLY128A, GLY128D, GLY324A, GLY324D, GLY330A, GLY330D, GLY407D, HIS467A, HIS467D, ILE124D, ILE240A, ILE240D, ILE81A, ILE81D, LEU100A, LEU100D, LEU129D, LEU265A, LEU265D, LEU270A, LEU270D, LEU271A, LEU271D, LEU321A, LEU321D, LEU334A, LEU334D, LEU482D, LEU79A, LEU79D, LYS131A, LYS131D, LYS235A, LYS235D, LYS245A, LYS245D, LYS267A, LYS267D, LYS332A, LYS332D, LYS405A, LYS472A, LYS472D, MET132A, MET132D, MET244A, MET244D, MET269A, MET269D, MET318A, MET318D, MET455A, MET455D, MET476A, MET476D, PHE243A, PHE243D, PHE274A, PHE274D, PHE333A, PHE333D, PHE474A, PHE474D, PHE97A, PHE97D, PRO123D, PRO127A, PRO127D, PRO246A, PRO246D, PRO268A, PRO268D, PRO406A, PRO406D, PRO435A, PRO435D, PRO477A, PRO477D, PRO501A, PRO501D, SER264A, SER264D, SER317A, SER317D, SER325A, SER325D, SER331A, SER331D, SER480D, SER78A, THR263A, THR263D, THR453A, TRP471A, TRP471D, TRP479A, TRP479D, TYR125A, TYR125D, TYR266A, TYR266D, TYR335A, TYR335D, TYR433A, TYR433D, TYR456A, TYR456D, TYR498A, TYR498D, VAL436A, VAL436D, VAL497A, VAL497D
• B-C: ALA102B, ALA102C, ALA139B, ALA139C, ALA98B, ALA98C, ARG135B, ARG135C, ARG141B, ARG141C, ARG275C, ARG320B, ARG320C, ARG475B, ARG475C, ASN103B, ASN103C, ASN136B, ASN136C, ASN238B, ASN238C, ASP241B, ASP241C, ASP454B, ASP454C, ASP478B, ASP478C, CYS96B, CYS96C, GLU470B, GLU470C, GLU473B, GLU473C, GLU499B, GLU499C, GLU99B, GLU99C, GLY101B, GLY101C, GLY128B, GLY128C, GLY407B, GLY407C, ILE240B, ILE240C, ILE81B, ILE81C, LEU100B, LEU100C, LEU265B, LEU265C, LEU270B, LEU321B, LEU321C, LEU79B, LEU79C, LYS131B, LYS131C, LYS138C, LYS245B, LYS245C, LYS267B, LYS267C, LYS332B, LYS332C, LYS472B, LYS472C, MET132B, MET132C, MET244B, MET244C, MET269B, MET269C, MET318B, MET318C, MET455B, MET455C, MET476B, MET476C, PHE243B, PHE243C, PHE474B, PHE474C, PHE97B, PHE97C, PRO127B, PRO127C, PRO246B, PRO268B, PRO268C, PRO435B, PRO435C, PRO477B, PRO477C, PRO501C, SER264B, SER264C, SER317B, SER331B, THR263C, THR453B, THR453C, TRP471B, TRP471C, TRP479B, TYR125B, TYR125C, TYR266B, TYR266C, TYR335B, TYR335C, TYR433B, TYR433C, TYR456B, TYR456C, TYR498B, TYR498C, VAL104B, VAL104C, VAL436B, VAL436C, VAL497B, VAL497C
• B-D: ARG259B, ARG259D, ARG328B, ASN272D, ASN273D, LEU277B
• C-D: ALA282C, ALA282D, ALA284C, ALA284D, ALA290C, ALA290D, ALA291C, ALA291D, ALA293C, ALA293D, ALA296C, ALA296D, ALA306C, ALA306D, ALA314C, ALA314D, ALA351C, ALA351D, ALA356C, ALA356D, ALA368C, ALA368D, ARG206C, ARG206D, ARG248C, ARG248D, ARG275C, ARG275D, ARG298C, ARG298D, ARG311C, ARG311D, ARG320C, ARG320D, ARG328C, ARG328D, ARG354C, ARG354D, ARG362C, ARG362D, ARG371C, ARG371D, ASN238C, ASN238D, ASN292C, ASN292D, ASN303C, ASN303D, ASN307C, ASN307D, ASN359C, ASN359D, ASN373C, ASN373D, ASP242C, ASP242D, ASP247C, ASP247D, ASP280C, ASP280D, ASP304C, ASP304D, ASP315C, ASP315D, ASP326C, ASP326D, ASP358C, ASP358D, CYS309C, CYS309D, GLN376C, GLN376D, GLU285C, GLU285D, GLU310C, GLU310D, GLU357C, GLU357D, GLU364C, GLU364D, GLU367C, GLU367D, GLU370C, GLU370D, GLY203C, GLY203D, GLY252D, GLY313C, GLY313D, GLY322C, GLY322D, GLY324C, GLY324D, GLY330C, GLY330D, GLY360C, GLY360D, GLY512D, ILE281C, ILE281D, ILE299C, ILE299D, ILE323C, ILE323D, ILE329C, ILE329D, ILE353C, ILE353D, ILE379C, ILE379D, LEU234C, LEU234D, LEU277C, LEU277D, LEU295C, LEU295D, LEU308C, LEU308D, LEU321C, LEU321D, LEU334C, LEU334D, LEU352C, LEU352D, LEU366C, LEU366D, LYS235C, LYS235D, LYS288C, LYS288D, LYS332C, LYS332D, LYS375C, LYS375D, LYS405C, LYS405D, MET279C, MET279D, MET286C, MET286D, MET294C, MET294D, MET302C, MET302D, MET318C, MET318D, MET363C, MET363D, PHE233C, PHE233D, PHE278C, PHE278D, PHE301C, PHE301D, PHE333C, PHE333D, PHE345C, PHE345D, PRO201C, PRO201D, PRO231C, PRO231D, PRO246C, PRO246D, SER283C, SER283D, SER300C, SER300D, SER317C, SER317D, SER325C, SER325D, SER327C, SER327D, SER331C, SER331D, THR287C, THR287D, THR297C, THR297D, THR355C, THR355D, TYR205C, TYR205D, TYR289C, TYR289D, TYR361C, TYR361D, VAL202C, VAL202D, VAL249C, VAL249D, VAL250C, VAL250D, VAL251C, VAL251D, VAL305C, VAL305D, VAL312C, VAL312D, VAL316C, VAL316D, VAL319C, VAL319D, VAL349C, VAL349D, VAL365C, VAL365D, VAL369C, VAL369D, VAL372C, VAL372D