1MV8

1.55 a crystal structure of a ternary complex of gdp-mannose dehydrogenase from psuedomonas aeruginosa

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 420
  • Norm. En. per Res.: -5.3035
• 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	-370.9633	-71.8712	-1808.13	-2250.9644	428	61	49	71666	6	160	149
A-C	-10.8282	13.2686	-124.278	-121.8376	67	3	1	3833	3	24	23
A-D	0.0	0.0	-12.5562	-12.5562	20	0	0	399	0	14	4
B-C	0.0	-3.362	-14.7281	-18.0901	25	0	0	551	0	14	4
B-D	-11.0774	35.4986	-112.647	-88.2258	67	6	1	3765	1	24	22
C-D	-365.1851	-85.6017	-1776.7	-2227.4867	420	60	51	70984	7	159	147

Interface residues

• A-B: ALA164A, ALA164B, ALA196A, ALA196B, ALA206A, ALA206B, ALA218A, ALA218B, ALA219A, ALA219B, ALA224A, ALA224B, ALA231A, ALA231B, ALA233A, ALA233B, ALA263A, ALA263B, ALA275A, ALA275B, ALA280A, ALA280B, ALA304A, ALA325A, ALA325B, ALA359A, ALA359B, ALA364A, ALA364B, ALA431A, ALA431B, ARG160A, ARG160B, ARG200A, ARG200B, ARG239A, ARG239B, ARG255A, ARG255B, ARG259A, ARG259B, ARG274A, ARG274B, ARG279A, ARG279B, ARG295A, ARG295B, ARG331A, ARG331B, ARG354A, ARG354B, ARG360A, ARG360B, ASN132A, ASN132B, ASN214A, ASN214B, ASN225A, ASN225B, ASN229A, ASN229B, ASN252A, ASN252B, ASN297A, ASN297B, ASN299A, ASN299B, ASN355A, ASN355B, ASN365A, ASN365B, ASN91A, ASN91B, ASP167A, ASP167B, ASP169A, ASP169B, ASP195A, ASP195B, ASP237A, ASP237B, ASP243A, ASP243B, ASP248A, ASP248B, ASP272A, ASP272B, ASP284A, ASP284B, ASP328A, ASP328B, ASP329A, ASP329B, ASP353A, ASP353B, ASP37B, ASP418A, ASP418B, ASP93A, ASP93B, ASP95A, ASP95B, CYS213A, CYS213B, CYS246A, CYS246B, CYS268A, CYS268B, CYS435A, CYS435B, GLN247A, GLN247B, GLN282A, GLN282B, GLN300A, GLN300B, GLN302A, GLN302B, GLN41B, GLU157A, GLU157B, GLU161A, GLU161B, GLU204A, GLU204B, GLU207A, GLU207B, GLU226A, GLU226B, GLU240A, GLU240B, GLU286A, GLU286B, GLU332A, GLU332B, GLU357A, GLU357B, GLU367A, GLU367B, GLU432A, GLU432B, GLU48A, GLU48B, GLU52A, GLU52B, GLY128A, GLY128B, GLY228A, GLY228B, GLY235A, GLY235B, GLY238A, GLY238B, GLY261A, GLY261B, GLY265A, GLY265B, GLY266A, GLY266B, GLY291A, GLY291B, GLY326A, GLY326B, GLY363A, GLY363B, GLY421A, GLY421B, GLY433A, GLY433B, GLY85A, GLY85B, GLY92A, GLY92B, GLY9A, GLY9B, HIS217A, HIS217B, HIS249A, HIS249B, HIS287A, HIS287B, HIS362A, HIS362B, HIS425A, HIS425B, ILE176A, ILE176B, ILE198A, ILE198B, ILE199A, ILE199B, ILE209A, ILE209B, ILE227A, ILE227B, ILE230A, ILE230B, ILE245A, ILE245B, ILE369A, ILE369B, ILE36A, ILE36B, ILE39A, ILE39B, ILE434A, ILE434B, ILE46A, ILE46B, LEU126A, LEU126B, LEU159A, LEU159B, LEU194B, LEU251A, LEU251B, LEU253A, LEU253B, LEU269A, LEU269B, LEU276A, LEU276B, LEU283A, LEU283B, LEU290A, LEU290B, LEU293A, LEU293B, LEU307A, LEU307B, LEU330A, LEU330B, LEU38A, LEU38B, LEU396B, LEU419A, LEU419B, LEU8A, LEU8B, LEU94A, LEU94B, LYS166A, LYS166B, LYS201A, LYS201B, LYS210A, LYS210B, LYS220A, LYS220B, LYS232A, LYS232B, LYS250A, LYS250B, LYS271A, LYS271B, LYS303A, LYS303B, LYS324A, LYS324B, LYS35A, LYS35B, LYS366A, LYS366B, LYS43A, LYS43B, LYS89A, LYS89B, LYS90A, LYS90B, MET173A, MET173B, MET208A, MET208B, MET242A, MET242B, MET258A, MET258B, MET289A, MET289B, MET294A, MET294B, MET423A, MET423B, PHE158A, PHE158B, PHE170A, PHE170B, PHE223A, PHE223B, PHE262A, PHE262B, PHE264A, PHE264B, PHE323A, PHE323B, PHE422A, PHE422B, PRO127A, PRO127B, PRO156A, PRO156B, PRO171A, PRO171B, PRO172A, PRO172B, PRO197A, PRO197B, PRO260A, PRO260B, PRO270A, PRO270B, PRO288A, PRO288B, PRO424A, PRO424B, PRO45A, PRO45B, PRO49A, PRO49B, PRO87A, PRO87B, SER123A, SER123B, SER162A, SER162B, SER254A, SER254B, SER267A, SER267B, SER292A, SER292B, SER296A, SER296B, SER298A, SER298B, SER322A, SER322B, SER32A, SER32B, SER33B, SER44A, SER44B, SER88A, SER88B, THR124A, THR124B, THR129B, THR163A, THR163B, THR174A, THR174B, THR202A, THR202B, THR212A, THR212B, THR222A, THR222B, THR277A, THR277B, THR327A, THR327B, THR34A, THR34B, THR426A, THR426B, THR427A, THR427B, THR428A, THR428B, THR86A, THR86B, TRP216A, TRP216B, TRP436A, TRP436B, TYR10A, TYR10B, TYR211A, TYR211B, TYR256A, TYR256B, TYR257A, TYR257B, TYR278A, TYR278B, TYR358A, TYR358B, VAL11A, VAL11B, VAL125A, VAL125B, VAL175A, VAL175B, VAL203A, VAL203B, VAL205A, VAL205B, VAL215A, VAL215B, VAL221A, VAL221B, VAL234A, VAL234B, VAL236A, VAL236B, VAL241A, VAL241B, VAL244A, VAL244B, VAL273A, VAL273B, VAL285A, VAL285B, VAL301A, VAL301B, VAL356A, VAL356B, VAL361A, VAL407A, VAL407B, VAL417A, VAL417B, VAL420A, VAL420B, VAL47A, VAL47B, VAL84A, VAL84B
• A-C: ALA339A, ALA339C, ARG295A, ARG295C, ARG314C, ASN299A, ASN299C, ASN91A, ASN91C, ASP284A, ASP284C, ASP93A, ASP93C, GLN282A, GLN282C, GLN302A, GLN302C, GLU337A, GLU337C, GLU340A, GLU340C, GLU370A, GLY344A, GLY344C, GLY346A, GLY346C, GLY92A, GLY92C, HIS375A, HIS375C, ILE343A, ILE343C, ILE373A, ILE373C, LEU283A, LEU283C, LEU338A, LEU342A, LEU342C, LYS345A, LYS345C, LYS372A, LYS372C, LYS89A, LYS89C, LYS90A, LYS90C, MET341A, MET341C, PHE305A, PHE305C, PRO374A, PRO374C, SER281A, SER281C, SER298A, SER298C, SER371A, TYR347A, TYR347C, TYR368C, VAL285A, VAL285C, VAL336A, VAL336C, VAL376A, VAL376C
• A-D: ARG295A, ARG295D, ASP284A, ASP284D, ASP306A, ASP306D, GLN282A, GLN282D, GLU286A, GLU286D, LEU283A, LEU283D, LYS90A, LYS90D, PRO288A, PRO288D, SER281A, SER281D, TYR278A, TYR278D
• B-C: ARG295B, ARG295C, ASP284B, ASP284C, ASP306B, ASP306C, ASP312C, GLN282B, GLN282C, GLU286B, GLU286C, HIS311C, LEU283B, LEU283C, LEU307C, LYS90B, LYS90C, PRO288B, PRO288C, SER281B, SER281C, SER310C, THR309C, TYR278B, TYR278C
• B-D: ALA339B, ALA339D, ARG295B, ARG295D, ARG314D, ASN299B, ASN299D, ASN91B, ASN91D, ASP284B, ASP284D, ASP93B, ASP93D, GLN282B, GLN282D, GLN302B, GLN302D, GLU286D, GLU337B, GLU337D, GLU340B, GLU340D, GLU370B, GLY344B, GLY344D, GLY346B, GLY346D, GLY92B, GLY92D, HIS375B, HIS375D, ILE343B, ILE343D, ILE373B, ILE373D, LEU283B, LEU283D, LEU342B, LEU342D, LYS345B, LYS345D, LYS372B, LYS372D, LYS89B, LYS89D, LYS90B, LYS90D, MET341B, MET341D, PHE305B, PHE305D, PRO374B, PRO374D, SER281B, SER281D, SER298B, SER298D, SER371B, TYR347B, TYR347D, TYR368B, VAL285B, VAL285D, VAL336B, VAL336D, VAL376B, VAL376D
• C-D: ALA164C, ALA164D, ALA196C, ALA196D, ALA206C, ALA206D, ALA218C, ALA218D, ALA219C, ALA219D, ALA224C, ALA224D, ALA231C, ALA231D, ALA233C, ALA233D, ALA263C, ALA263D, ALA275C, ALA275D, ALA280C, ALA280D, ALA304D, ALA325C, ALA325D, ALA359C, ALA359D, ALA364C, ALA364D, ALA431C, ALA431D, ARG160C, ARG160D, ARG200C, ARG200D, ARG239C, ARG239D, ARG255C, ARG255D, ARG259C, ARG259D, ARG274C, ARG274D, ARG279C, ARG279D, ARG295C, ARG295D, ARG331C, ARG331D, ARG354C, ARG354D, ARG360C, ARG360D, ASN132C, ASN132D, ASN214C, ASN214D, ASN225C, ASN225D, ASN229C, ASN229D, ASN252C, ASN252D, ASN297C, ASN297D, ASN299C, ASN299D, ASN355C, ASN355D, ASN365C, ASN365D, ASN91C, ASN91D, ASP167C, ASP167D, ASP169C, ASP195C, ASP237C, ASP237D, ASP243C, ASP243D, ASP248C, ASP248D, ASP272C, ASP272D, ASP284C, ASP284D, ASP328C, ASP328D, ASP329C, ASP329D, ASP353C, ASP353D, ASP37C, ASP418C, ASP418D, ASP93C, ASP93D, ASP95C, ASP95D, CYS213C, CYS213D, CYS246C, CYS246D, CYS268C, CYS268D, CYS435C, CYS435D, GLN247C, GLN247D, GLN282C, GLN282D, GLN300C, GLN300D, GLN302C, GLN302D, GLU157C, GLU157D, GLU161C, GLU161D, GLU204C, GLU204D, GLU207C, GLU207D, GLU226C, GLU226D, GLU240C, GLU240D, GLU286C, GLU286D, GLU332C, GLU332D, GLU357C, GLU357D, GLU367C, GLU367D, GLU432C, GLU432D, GLU48C, GLU48D, GLU52C, GLU52D, GLY128C, GLY128D, GLY228C, GLY228D, GLY235C, GLY235D, GLY238C, GLY238D, GLY261C, GLY261D, GLY265C, GLY265D, GLY266C, GLY266D, GLY291C, GLY291D, GLY326C, GLY326D, GLY363C, GLY363D, GLY421C, GLY421D, GLY433C, GLY433D, GLY85C, GLY85D, GLY92C, GLY92D, GLY9C, GLY9D, HIS217C, HIS217D, HIS249C, HIS249D, HIS287C, HIS287D, HIS362C, HIS362D, HIS425C, HIS425D, ILE176C, ILE176D, ILE198D, ILE199C, ILE199D, ILE209C, ILE209D, ILE227C, ILE227D, ILE230C, ILE230D, ILE245C, ILE245D, ILE369C, ILE369D, ILE36C, ILE36D, ILE39C, ILE39D, ILE434C, ILE434D, ILE46C, ILE46D, LEU126C, LEU126D, LEU159C, LEU159D, LEU251C, LEU251D, LEU253C, LEU253D, LEU269C, LEU269D, LEU276C, LEU276D, LEU283C, LEU283D, LEU290C, LEU290D, LEU293C, LEU293D, LEU307C, LEU307D, LEU330C, LEU330D, LEU38C, LEU38D, LEU419C, LEU419D, LEU8C, LEU8D, LEU94C, LEU94D, LYS166C, LYS201C, LYS201D, LYS210C, LYS210D, LYS220C, LYS220D, LYS232C, LYS232D, LYS250C, LYS250D, LYS271C, LYS271D, LYS303C, LYS303D, LYS324C, LYS324D, LYS35C, LYS35D, LYS366C, LYS366D, LYS43C, LYS43D, LYS89C, LYS89D, LYS90C, LYS90D, MET173C, MET173D, MET208C, MET208D, MET242C, MET242D, MET258C, MET258D, MET289C, MET289D, MET294C, MET294D, MET423C, MET423D, PHE158C, PHE158D, PHE170C, PHE170D, PHE223C, PHE223D, PHE262C, PHE262D, PHE264C, PHE264D, PHE323C, PHE323D, PHE422C, PHE422D, PRO127C, PRO127D, PRO156D, PRO171C, PRO171D, PRO172C, PRO172D, PRO197C, PRO197D, PRO260C, PRO260D, PRO270C, PRO270D, PRO288C, PRO288D, PRO424C, PRO424D, PRO45C, PRO45D, PRO49C, PRO49D, PRO87C, PRO87D, SER123C, SER123D, SER162C, SER162D, SER254C, SER254D, SER267C, SER267D, SER292C, SER292D, SER296C, SER296D, SER298C, SER298D, SER322C, SER322D, SER32C, SER32D, SER33C, SER44C, SER44D, SER88C, SER88D, THR124C, THR124D, THR129C, THR163C, THR163D, THR174C, THR174D, THR202C, THR202D, THR212C, THR212D, THR222C, THR222D, THR277C, THR277D, THR327C, THR327D, THR34C, THR34D, THR426C, THR426D, THR427C, THR427D, THR428C, THR428D, THR86C, THR86D, TRP216C, TRP216D, TRP436C, TRP436D, TYR10C, TYR10D, TYR211C, TYR211D, TYR256C, TYR256D, TYR257C, TYR257D, TYR278C, TYR278D, TYR358C, TYR358D, VAL11C, VAL11D, VAL125C, VAL125D, VAL175C, VAL175D, VAL203C, VAL203D, VAL205C, VAL205D, VAL215C, VAL215D, VAL221C, VAL221D, VAL234C, VAL234D, VAL236C, VAL236D, VAL241C, VAL241D, VAL244C, VAL244D, VAL273C, VAL273D, VAL285C, VAL285D, VAL301C, VAL301D, VAL356C, VAL356D, VAL361D, VAL407C, VAL407D, VAL417C, VAL417D, VAL420C, VAL420D, VAL47C, VAL47D, VAL84C, VAL84D