2PA4

crystal structure of udp-glucose pyrophosphorylase from corynebacteria glutamicum in complex with magnesium and udp-glucose

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 237
  • Norm. En. per Res.: -3.854
• 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	-15.3973	0.0	-37.2519	-52.6492	41	3	0	1845	0	15	7
A-C	0.0	33.1509	-9.1165	24.0345	20	0	0	449	0	18	8
A-D	-112.0722	-107.6883	-693.633	-913.3935	237	32	22	32160	10	70	68
B-C	-125.9548	-82.8904	-677.615	-886.4601	238	28	22	32521	8	74	71
B-D	0.0	54.7579	-17.1153	37.6426	28	0	0	700	1	21	9
C-D	-14.103	0.0	-37.4802	-51.5832	43	6	0	1943	0	16	8

Interface residues

• A-B: ALA66A, ALA66B, ALA70A, ALA70B, ARG60A, ARG60B, ASN68A, ASN68B, ASP113A, ASP113B, GLN112A, GLN112B, GLU77B, HIS120A, HIS120B, ILE64A, ILE64B, LEU116A, LEU116B, LEU124A, LEU124B, LEU73A, LEU73B, LYS114A, LYS114B, PRO109A, PRO109B, PRO67A, PRO67B, SER127A, SER127B, THR111A, THR111B, THR65A, THR65B, VAL108A, VAL108B, VAL110A, VAL110B, VAL128A, VAL128B
• A-C: ALA107A, ALA107C, ALA74C, ARG78A, ARG78C, GLU77A, GLU77C, GLU81A, GLU81C, GLU84A, GLU84C, LEU73A, LEU73C, LYS106C, PRO109A, PRO109C, SER80A, SER80C, VAL108A, VAL108C
• A-D: ALA101A, ALA101D, ALA102A, ALA102D, ALA174A, ALA174D, ALA20A, ALA20D, ALA276A, ALA276D, ALA289A, ALA294A, ALA294D, ALA29A, ALA29D, ALA300A, ALA300D, ALA304D, ALA305A, ALA305D, ALA66A, ALA70A, ALA70D, ALA74A, ALA74D, ARG100A, ARG100D, ARG25A, ARG25D, ARG264A, ARG264D, ARG307D, ARG78A, ARG78D, ARG89A, ARG89D, ARG99A, ARG99D, ASN269A, ASN269D, ASN68A, ASN68D, ASP103A, ASP103D, ASP113A, ASP113D, ASP175A, ASP175D, ASP279A, ASP279D, ASP293A, ASP293D, ASP42A, ASP42D, ASP93A, ASP93D, CYS277A, CYS277D, GLN112D, GLN240A, GLN290A, GLN290D, GLN297A, GLN297D, GLN94A, GLN94D, GLU173A, GLU173D, GLU238A, GLU238D, GLU301A, GLU301D, GLU303A, GLU303D, GLU306D, GLU36A, GLU36D, GLU47A, GLU47D, GLU77A, GLU77D, GLU81A, GLU81D, GLU83A, GLU83D, GLU84D, GLU88A, GLU88D, GLU96A, GLU96D, GLY117A, GLY117D, GLY21A, GLY21D, GLY236A, GLY236D, GLY237A, GLY237D, GLY23A, GLY23D, GLY268A, GLY271A, GLY271D, GLY272A, GLY272D, GLY281A, GLY281D, GLY288A, GLY288D, GLY45A, GLY45D, GLY71A, GLY71D, HIS265A, HIS265D, HIS284A, HIS284D, HIS302A, HIS302D, HIS75A, HIS75D, ILE274A, ILE274D, ILE295A, ILE295D, ILE298A, ILE298D, ILE46A, ILE46D, ILE97A, ILE97D, ILE98A, ILE98D, LEU116A, LEU116D, LEU118A, LEU118D, LEU22A, LEU22D, LEU239A, LEU239D, LEU27A, LEU27D, LEU282A, LEU282D, LEU291A, LEU291D, LEU299A, LEU299D, LEU37A, LEU37D, LEU38A, LEU38D, LEU48A, LEU48D, LEU73A, LEU73D, LEU82A, LEU82D, LEU86A, LEU86D, LYS114A, LYS114D, LYS178A, LYS178D, LYS263A, LYS263D, LYS292A, LYS292D, LYS296A, LYS296D, LYS31A, LYS31D, LYS35A, LYS35D, LYS69A, LYS69D, LYS91A, MET87D, PHE26A, PHE26D, PHE280A, PHE280D, PHE76A, PHE76D, PRO115A, PRO115D, PRO270A, PRO270D, PRO275A, PRO275D, PRO28A, PRO28D, PRO34A, PRO34D, PRO39A, PRO39D, PRO44A, PRO44D, PRO67A, PRO67D, SER172A, SER172D, SER283A, SER283D, SER79A, SER79D, SER80A, SER80D, THR24A, THR24D, THR30A, THR30D, THR32A, THR32D, THR43A, THR43D, THR85A, THR85D, TYR273A, TYR273D, TYR287A, TYR287D, VAL278A, VAL278D, VAL286A, VAL286D, VAL33A, VAL33D, VAL40A, VAL40D, VAL41A, VAL41D, VAL72A, VAL72D, VAL95A, VAL95D
• B-C: ALA101B, ALA101C, ALA102B, ALA102C, ALA174B, ALA174C, ALA20B, ALA276B, ALA276C, ALA289B, ALA289C, ALA294B, ALA294C, ALA29B, ALA29C, ALA300B, ALA300C, ALA305B, ALA305C, ALA66B, ALA70B, ALA70C, ALA74B, ALA74C, ARG100B, ARG100C, ARG25B, ARG25C, ARG264B, ARG307B, ARG78B, ARG78C, ARG89B, ARG89C, ARG99B, ARG99C, ASN269B, ASN269C, ASN68B, ASN68C, ASP103B, ASP103C, ASP113B, ASP113C, ASP175B, ASP175C, ASP279B, ASP279C, ASP293B, ASP293C, ASP42B, ASP42C, ASP93B, ASP93C, CYS277B, CYS277C, GLN112C, GLN240B, GLN290B, GLN290C, GLN297B, GLN297C, GLN94B, GLN94C, GLU173B, GLU238B, GLU238C, GLU301B, GLU301C, GLU303B, GLU303C, GLU306B, GLU306C, GLU36B, GLU36C, GLU47B, GLU47C, GLU77B, GLU77C, GLU81B, GLU81C, GLU83B, GLU83C, GLU84B, GLU84C, GLU88B, GLU88C, GLU96B, GLU96C, GLY117B, GLY117C, GLY21B, GLY21C, GLY236B, GLY236C, GLY237B, GLY237C, GLY23B, GLY23C, GLY268B, GLY271B, GLY271C, GLY272B, GLY272C, GLY281B, GLY281C, GLY288B, GLY288C, GLY45B, GLY45C, GLY71B, GLY71C, GLY90B, HIS265B, HIS265C, HIS284B, HIS284C, HIS302B, HIS302C, HIS75B, HIS75C, ILE274B, ILE274C, ILE295B, ILE295C, ILE298B, ILE298C, ILE46B, ILE46C, ILE97B, ILE97C, ILE98B, ILE98C, LEU116B, LEU116C, LEU118B, LEU22B, LEU22C, LEU239B, LEU239C, LEU27B, LEU27C, LEU282B, LEU282C, LEU291B, LEU291C, LEU299B, LEU299C, LEU37B, LEU37C, LEU38B, LEU38C, LEU48B, LEU48C, LEU73B, LEU73C, LEU82B, LEU82C, LEU86B, LEU86C, LYS114B, LYS114C, LYS178B, LYS178C, LYS263B, LYS263C, LYS292B, LYS292C, LYS296B, LYS296C, LYS31B, LYS31C, LYS35B, LYS35C, LYS69B, LYS69C, LYS91B, LYS91C, MET87B, MET87C, PHE26B, PHE26C, PHE280B, PHE280C, PHE76B, PHE76C, PRO115B, PRO115C, PRO233C, PRO270B, PRO270C, PRO275B, PRO275C, PRO28B, PRO28C, PRO34B, PRO34C, PRO39B, PRO39C, PRO44B, PRO44C, PRO67B, PRO67C, SER172B, SER283B, SER283C, SER79B, SER79C, SER80B, SER80C, THR24B, THR24C, THR30B, THR30C, THR32B, THR32C, THR43B, THR43C, THR85B, THR85C, TYR273B, TYR273C, TYR287B, TYR287C, VAL278B, VAL278C, VAL286B, VAL286C, VAL33B, VAL33C, VAL40B, VAL40C, VAL41B, VAL41C, VAL72B, VAL72C, VAL95B, VAL95C
• B-D: ALA107B, ALA107D, ALA70B, ALA74B, ALA74D, ARG60D, ARG78B, ARG78D, GLU77B, GLU77D, GLU81B, GLU81D, GLU84B, GLU84D, GLU88B, GLU88D, LEU73B, LEU73D, LEU82B, LYS106B, LYS106D, PRO109B, PRO109D, SER79B, SER80B, SER80D, VAL108B, VAL108D
• C-D: ALA62C, ALA66C, ALA66D, ALA70C, ALA70D, ARG60C, ARG60D, ASN68C, ASN68D, ASP113C, ASP113D, GLN112C, GLN112D, GLU77D, HIS120C, HIS120D, ILE64C, ILE64D, LEU116C, LEU116D, LEU124C, LEU124D, LEU73C, LEU73D, LYS106D, LYS114C, LYS114D, PRO109C, PRO109D, PRO67C, PRO67D, SER127C, SER127D, THR111C, THR111D, THR65C, THR65D, VAL108C, VAL108D, VAL110C, VAL110D, VAL128C, VAL128D