3ITO

crystal structure of pseudomonas stutzeri l-rhamnose isomerase mutant d327n in complex with d-psicose

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 170
  • Norm. En. per Res.: -4.4645
• 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	-73.5396	-159.5562	-525.862	-758.9578	170	9	16	19563	10	25	30
A-C	-45.6519	-24.8827	-632.369	-702.9035	195	16	9	24061	0	41	21
A-D	-42.3852	-50.6479	-341.605	-434.638	176	11	4	14480	12	89	77
B-C	-47.1499	-56.1603	-339.184	-442.4942	175	6	5	14357	14	90	78
B-D	-29.0689	-24.9235	-638.731	-692.7235	198	8	9	24196	0	42	21
C-D	-60.1143	-158.6637	-587.457	-806.235	184	7	16	22096	10	25	30

Interface residues

• A-B: ALA134A, ALA134B, ALA226A, ALA226B, ALA259A, ALA259B, ALA294A, ALA294B, ALA296A, ALA296B, ALA67A, ALA67B, ARG65A, ARG65B, ARG68A, ARG68B, ASN129A, ASN129B, ASN185A, ASN185B, ASN261A, ASN261B, ASN283A, ASN327A, ASN327B, ASN331A, ASN331B, ASN341B, ASP133A, ASP133B, ASP284A, ASP284B, ASP289A, ASP289B, ASP290A, ASP290B, ASP291A, ASP291B, ASP293A, ASP293B, ASP334A, ASP334B, GLN137A, GLN137B, GLN189A, GLN189B, GLN233A, GLN233B, GLN328A, GLN328B, GLU224A, GLU224B, GLU298A, GLU298B, GLU74A, GLU74B, GLY136A, GLY144A, GLY144B, GLY181A, GLY181B, GLY183A, GLY183B, GLY256A, GLY256B, GLY288A, GLY288B, GLY295A, GLY295B, GLY62A, GLY62B, GLY63A, GLY63B, GLY71A, GLY71B, HIS101A, HIS101B, HIS139A, HIS257A, HIS257B, HIS330A, HIS330B, ILE297A, ILE297B, LEU292A, LEU292B, LYS142A, LYS142B, LYS221A, LYS221B, LYS286A, LYS286B, MET222A, MET222B, PHE131A, PHE131B, PHE186A, PHE186B, PHE192A, PHE192B, PHE227A, PHE227B, PHE66A, PHE66B, PHE69A, PHE69B, PRO135A, PRO135B, PRO187A, PRO187B, PRO225A, PRO225B, PRO260A, PRO260B, PRO299A, PRO299B, PRO335A, PRO335B, PRO70A, PRO70B, SER132A, SER132B, SER140A, SER140B, SER145A, SER145B, SER184A, SER184B, SER229A, SER229B, SER285A, SER285B, SER329A, SER329B, SER338A, SER338B, SER342A, SER342B, THR130A, THR130B, THR230A, THR230B, THR333A, THR333B, THR61A, THR61B, THR64A, THR64B, THR72A, THR72B, TRP104A, TRP104B, TRP179A, TRP179B, TRP57A, TRP57B, TYR141A, TYR141B, TYR143A, TYR143B, TYR223A, TYR223B, TYR228A, TYR228B, TYR287A, TYR287B, VAL332A, VAL332B, VAL423A, VAL423B
• A-C: ALA151C, ALA195A, ALA195C, ALA259A, ALA259C, ALA269A, ALA269C, ALA312A, ALA312C, ALA314A, ALA370A, ALA370C, ALA373A, ALA373C, ARG154A, ARG154C, ARG194A, ARG194C, ARG198A, ARG198C, ARG270A, ARG270C, ARG301A, ARG301C, ARG315A, ARG315C, ARG358A, ARG358C, ASN150A, ASN150C, ASN185A, ASN185C, ASN191A, ASN191C, ASN238A, ASN238C, ASN261A, ASN261C, ASN263A, ASN263C, ASN307A, ASN307C, ASN368A, ASN368C, ASP182A, ASP182C, ASP234A, ASP234C, ASP311A, ASP311C, ASP367A, ASP367C, ASP369A, ASP369C, GLN189A, GLN189C, GLN233A, GLN233C, GLN243A, GLN243C, GLN273A, GLN273C, GLN365A, GLN365C, GLU197A, GLU197C, GLU265A, GLU265C, GLU308A, GLU308C, GLU366A, GLU366C, GLU375A, GLU375C, GLY144A, GLY144C, GLY183A, GLY183C, GLY188A, GLY188C, GLY236A, GLY236C, GLY316A, GLY363A, GLY363C, HIS148A, HIS148C, HIS258A, HIS258C, ILE241A, ILE241C, ILE264A, ILE264C, ILE267A, ILE267C, ILE272A, ILE272C, LEU200A, LEU200C, LEU240A, LEU240C, LEU271A, LEU271C, LEU304A, LEU304C, LEU361A, LEU361C, LEU371A, LEU371C, LEU377A, LEU377C, LYS142A, LYS142C, LYS276A, LYS276C, LYS378A, LYS378C, MET222A, MET222C, MET266A, MET266C, MET372A, MET372C, PHE186A, PHE186C, PHE192A, PHE192C, PHE196A, PHE196C, PHE227A, PHE227C, PHE274A, PHE274C, PHE303A, PHE303C, PRO187A, PRO187C, PRO260A, PRO260C, SER147A, SER147C, SER184A, SER184C, SER190A, SER190C, SER229A, SER229C, SER362A, SER362C, THR149A, THR149C, THR193A, THR193C, THR230A, THR230C, THR237A, THR237C, THR244A, THR244C, THR262A, THR262C, THR374A, THR374C, THR376A, THR376C, TRP235A, TRP235C, TYR143A, TYR143C, TYR199A, TYR199C, TYR223A, TYR223C, TYR228A, TYR228C, TYR239A, TYR239C, TYR287A, TYR287C, TYR300A, TYR300C, TYR364A, TYR364C, VAL231A, VAL231C, VAL232A, VAL232C, VAL268A, VAL268C, VAL305A, VAL305C, VAL317A, VAL317C, VAL356A, VAL356C
• A-D: ALA21A, ALA21D, ALA259A, ALA259D, ALA28A, ALA28D, ALA294A, ALA294D, ALA296A, ALA296D, ALA31A, ALA31D, ALA370A, ALA370D, ALA373A, ALA373D, ALA404A, ALA404D, ARG18A, ARG18D, ARG301A, ARG301D, ARG348A, ARG348D, ARG35A, ARG35D, ARG36A, ARG36D, ARG379A, ARG379D, ARG382A, ARG382D, ARG393A, ARG393D, ARG407A, ARG407D, ASN261A, ASN261D, ASN263A, ASN263D, ASN32A, ASN32D, ASN341A, ASN341D, ASN344A, ASN344D, ASN368A, ASN368D, ASP25A, ASP25D, ASP284A, ASP284D, ASP290A, ASP290D, ASP293A, ASP293D, ASP334A, ASP334D, ASP367A, ASP367D, ASP369A, ASP369D, ASP384A, ASP384D, ASP401A, ASP401D, GLN352A, GLN352D, GLU24A, GLU24D, GLU265A, GLU265D, GLU27A, GLU27D, GLU298A, GLU298D, GLU337A, GLU337D, GLU345A, GLU345D, GLU375A, GLU375D, GLU386A, GLU386D, GLY288A, GLY288D, GLY295A, GLY295D, HIS258A, HIS258D, HIS330A, HIS330D, ILE264A, ILE264D, ILE297A, ILE297D, ILE336A, ILE336D, ILE340A, ILE340D, LEU22A, LEU22D, LEU29A, LEU29D, LEU302A, LEU302D, LEU304A, LEU304D, LEU339A, LEU339D, LEU33A, LEU33D, LEU371A, LEU371D, LEU377A, LEU377D, LEU389A, LEU389D, LYS23A, LYS23D, LYS286A, LYS286D, LYS378A, LYS378D, MET266A, MET266D, MET372A, MET372D, PHE303A, PHE303D, PRO260A, PRO260D, PRO299A, PRO299D, PRO335A, PRO335D, PRO387A, PRO387D, PRO402A, SER20A, SER20D, SER285A, SER285D, SER338A, SER338D, SER342A, SER342D, THR262A, THR262D, THR333A, THR333D, THR374A, THR374D, THR376A, THR383A, THR383D, TYR223A, TYR223D, TYR26A, TYR26D, TYR287A, TYR287D, TYR300A, TYR300D, TYR364A, TYR364D, TYR381A, TYR381D, TYR406A, TYR406D, VAL332A, VAL332D, VAL385A, VAL385D, VAL403A, VAL403D
• B-C: ALA21B, ALA21C, ALA259B, ALA259C, ALA28B, ALA28C, ALA294B, ALA294C, ALA296B, ALA296C, ALA31B, ALA31C, ALA370B, ALA370C, ALA373B, ALA373C, ALA404B, ALA404C, ARG18B, ARG18C, ARG301B, ARG301C, ARG348B, ARG348C, ARG35B, ARG35C, ARG36B, ARG36C, ARG379B, ARG379C, ARG382B, ARG382C, ARG393B, ARG393C, ARG407B, ARG407C, ASN261B, ASN261C, ASN263B, ASN263C, ASN32B, ASN32C, ASN341B, ASN341C, ASN344B, ASN344C, ASN368B, ASN368C, ASP25B, ASP25C, ASP284B, ASP284C, ASP290B, ASP290C, ASP293B, ASP293C, ASP334B, ASP334C, ASP367B, ASP367C, ASP369B, ASP369C, ASP384B, ASP384C, ASP401B, ASP401C, GLN352B, GLN352C, GLU24B, GLU24C, GLU265B, GLU265C, GLU27B, GLU27C, GLU298B, GLU298C, GLU337B, GLU337C, GLU345B, GLU345C, GLU375B, GLU375C, GLU386B, GLU386C, GLY288B, GLY288C, GLY295B, GLY295C, HIS258B, HIS258C, HIS330B, HIS330C, ILE264B, ILE264C, ILE297B, ILE297C, ILE336B, ILE336C, ILE340B, ILE340C, LEU22B, LEU22C, LEU29B, LEU29C, LEU302B, LEU302C, LEU304B, LEU304C, LEU339B, LEU339C, LEU33B, LEU33C, LEU371B, LEU371C, LEU377B, LEU377C, LEU389B, LEU389C, LYS23B, LYS23C, LYS286B, LYS286C, LYS378B, LYS378C, MET266B, MET266C, MET372B, MET372C, PHE303B, PHE303C, PRO260B, PRO260C, PRO299B, PRO299C, PRO335B, PRO335C, PRO387B, PRO387C, PRO402B, SER20B, SER20C, SER285B, SER285C, SER338B, SER338C, SER342B, SER342C, THR262B, THR262C, THR333B, THR333C, THR374B, THR374C, THR383B, THR383C, TYR223B, TYR223C, TYR26B, TYR26C, TYR287B, TYR287C, TYR300B, TYR300C, TYR364B, TYR364C, TYR381B, TYR381C, TYR406B, TYR406C, VAL332B, VAL332C, VAL385B, VAL385C, VAL403B, VAL403C
• B-D: ALA151D, ALA195B, ALA195D, ALA259B, ALA259D, ALA269B, ALA269D, ALA312B, ALA312D, ALA314D, ALA359B, ALA359D, ALA370B, ALA370D, ALA373B, ALA373D, ARG154B, ARG154D, ARG194B, ARG194D, ARG198B, ARG198D, ARG270B, ARG270D, ARG301B, ARG301D, ARG315B, ARG315D, ARG358B, ARG358D, ASN150B, ASN150D, ASN185B, ASN185D, ASN191B, ASN191D, ASN238B, ASN238D, ASN261B, ASN261D, ASN263B, ASN263D, ASN307B, ASN307D, ASN368B, ASN368D, ASP182B, ASP182D, ASP234B, ASP234D, ASP311B, ASP311D, ASP367B, ASP367D, ASP369B, ASP369D, GLN189B, GLN189D, GLN233B, GLN233D, GLN243B, GLN243D, GLN273B, GLN273D, GLN365B, GLN365D, GLU197B, GLU197D, GLU265B, GLU265D, GLU308B, GLU308D, GLU366B, GLU366D, GLU375B, GLU375D, GLY144B, GLY144D, GLY183B, GLY183D, GLY188B, GLY188D, GLY236B, GLY236D, GLY316D, GLY363B, GLY363D, HIS148B, HIS148D, HIS258B, HIS258D, ILE241B, ILE241D, ILE264B, ILE264D, ILE267B, ILE267D, ILE272B, ILE272D, LEU200B, LEU200D, LEU240B, LEU240D, LEU271B, LEU271D, LEU304B, LEU304D, LEU361B, LEU361D, LEU371B, LEU371D, LEU377B, LEU377D, LYS142B, LYS142D, LYS276B, LYS276D, LYS378B, LYS378D, MET222B, MET222D, MET266B, MET266D, MET372B, MET372D, PHE186B, PHE186D, PHE192B, PHE192D, PHE196B, PHE196D, PHE227B, PHE227D, PHE274B, PHE274D, PHE303B, PHE303D, PRO187B, PRO187D, PRO260B, PRO260D, SER147B, SER147D, SER184B, SER184D, SER190B, SER190D, SER229B, SER229D, SER362B, SER362D, THR149B, THR149D, THR153D, THR193B, THR193D, THR230B, THR230D, THR237B, THR237D, THR244B, THR244D, THR262B, THR262D, THR374B, THR374D, THR376B, THR376D, TRP235B, TRP235D, TYR143B, TYR143D, TYR199B, TYR199D, TYR223B, TYR223D, TYR228B, TYR228D, TYR239B, TYR239D, TYR287B, TYR287D, TYR300B, TYR300D, TYR364B, TYR364D, VAL231B, VAL231D, VAL232B, VAL232D, VAL268B, VAL268D, VAL305B, VAL305D, VAL317B, VAL317D, VAL356B, VAL356D
• C-D: ALA134C, ALA134D, ALA226C, ALA226D, ALA259C, ALA259D, ALA294C, ALA294D, ALA296C, ALA296D, ALA424C, ALA67C, ALA67D, ARG407C, ARG65C, ARG65D, ARG68C, ARG68D, ASN129C, ASN129D, ASN185C, ASN185D, ASN261C, ASN261D, ASN283D, ASN327C, ASN327D, ASN331C, ASN331D, ASP105D, ASP133C, ASP133D, ASP284C, ASP284D, ASP289C, ASP289D, ASP290C, ASP290D, ASP291C, ASP291D, ASP293C, ASP293D, ASP334C, ASP334D, GLN137C, GLN137D, GLN189C, GLN189D, GLN233C, GLN233D, GLN328C, GLN328D, GLU224C, GLU224D, GLU298C, GLU298D, GLU74C, GLU74D, GLY136D, GLY144C, GLY144D, GLY181C, GLY181D, GLY183C, GLY183D, GLY256C, GLY256D, GLY288C, GLY288D, GLY295C, GLY295D, GLY425C, GLY426C, GLY427C, GLY428C, GLY58D, GLY60D, GLY62C, GLY62D, GLY63C, GLY63D, GLY71C, GLY71D, HIS101C, HIS101D, HIS139C, HIS139D, HIS257C, HIS257D, HIS330C, HIS330D, ILE297C, ILE297D, ILE429C, ILE430C, LEU292C, LEU292D, LYS142C, LYS142D, LYS221C, LYS221D, LYS286C, LYS286D, LYS81D, MET222C, MET222D, PHE131C, PHE131D, PHE186C, PHE186D, PHE192C, PHE192D, PHE227C, PHE227D, PHE66C, PHE66D, PHE69C, PHE69D, PRO103D, PRO135D, PRO187C, PRO187D, PRO225C, PRO225D, PRO260C, PRO260D, PRO299C, PRO299D, PRO335C, PRO335D, PRO70C, PRO70D, PRO75D, SER132C, SER132D, SER140C, SER140D, SER145C, SER145D, SER184C, SER184D, SER229C, SER229D, SER285C, SER285D, SER329C, SER329D, SER338C, SER338D, SER342C, SER342D, SER56D, THR130C, THR130D, THR230C, THR230D, THR333C, THR333D, THR61C, THR61D, THR64C, THR64D, THR72C, THR72D, TRP104C, TRP104D, TRP179C, TRP179D, TRP57C, TRP57D, TYR141C, TYR141D, TYR143C, TYR143D, TYR223C, TYR223D, TYR228C, TYR228D, TYR287C, TYR287D, VAL332C, VAL332D, VAL423C, VAL59D