3HJB

1.5 angstrom crystal structure of glucose-6-phosphate isomerase from vibrio cholerae.

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 500
  • Norm. En. per Res.: -4.296
• 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	-260.1552	-58.2158	-1829.62	-2147.991	500	51	41	69680	16	132	138
A-C	0.0	0.0	-26.1334	-26.1334	28	0	0	1145	0	11	12
A-D	0.0	0.0	-0.0011	-0.0011	2	0	0	3	0	0	0
B-C	-23.5699	-13.5105	-97.4104	-134.4909	40	4	1	3791	1	15	14
C-D	-215.5302	-21.8748	-1832.86	-2070.2651	496	65	41	69723	13	132	138

Interface residues

• A-B: ALA169A, ALA169B, ALA191A, ALA191B, ALA220A, ALA220B, ALA223A, ALA223B, ALA331A, ALA331B, ALA335A, ALA335B, ALA33A, ALA33B, ALA347A, ALA347B, ALA348A, ALA348B, ALA388A, ALA388B, ALA406A, ALA406B, ALA408A, ALA408B, ALA40A, ALA40B, ALA427A, ALA427B, ALA431A, ALA431B, ALA433A, ALA433B, ALA438A, ALA438B, ALA440A, ALA456A, ALA456B, ALA457A, ALA457B, ALA518A, ALA518B, ALA526A, ALA526B, ALA544A, ALA544B, ALA547A, ALA547B, ALA550A, ALA550B, ARG271A, ARG271B, ARG345A, ARG345B, ARG364A, ARG364B, ARG38A, ARG38B, ARG45A, ARG45B, ARG468A, ARG468B, ARG549A, ARG549B, ASN184A, ASN184B, ASN219A, ASN219B, ASN326A, ASN326B, ASN327A, ASN327B, ASN354A, ASN354B, ASN358A, ASN358B, ASN365A, ASN365B, ASN367A, ASN367B, ASN384A, ASN384B, ASN412A, ASN412B, ASN424A, ASN424B, ASN471A, ASN471B, ASN4A, ASN4B, ASN502A, ASN502B, ASN519A, ASN519B, ASN539A, ASN539B, ASN543A, ASN543B, ASN57A, ASN57B, ASP160A, ASP160B, ASP186A, ASP186B, ASP225A, ASP225B, ASP340A, ASP340B, ASP35A, ASP35B, ASP363A, ASP363B, ASP416A, ASP416B, ASP49A, ASP49B, ASP507A, ASP507B, ASP527A, ASP527B, ASP535A, ASP535B, ASP53A, ASP53B, ASP94A, ASP94B, GLN214A, GLN214B, GLN341A, GLN341B, GLN351A, GLN351B, GLN352A, GLN352B, GLN372A, GLN372B, GLN386A, GLN386B, GLN391A, GLN391B, GLN395A, GLN395B, GLN419A, GLN419B, GLN428A, GLN428B, GLN477A, GLN477B, GLN48A, GLN48B, GLN508A, GLN508B, GLN516A, GLN516B, GLN520A, GLN520B, GLN91A, GLN91B, GLU168A, GLU168B, GLU192A, GLU192B, GLU215A, GLU215B, GLU332A, GLU332B, GLU334A, GLU334B, GLU356A, GLU356B, GLU37A, GLU37B, GLU380A, GLU380B, GLU430A, GLU430B, GLU444A, GLU444B, GLU465A, GLU465B, GLU512A, GLU512B, GLU524A, GLU524B, GLU93A, GLU93B, GLY155A, GLY155B, GLY157A, GLY157B, GLY158A, GLY158B, GLY187A, GLY187B, GLY330A, GLY330B, GLY353A, GLY353B, GLY359A, GLY359B, GLY366A, GLY366B, GLY374A, GLY374B, GLY379A, GLY379B, GLY382A, GLY382B, GLY385A, GLY385B, GLY396A, GLY396B, GLY415A, GLY415B, GLY435A, GLY435B, GLY466A, GLY466B, GLY47A, GLY47B, GLY510A, GLY510B, GLY514A, GLY514B, GLY540A, GLY540B, HIS189A, HIS189B, HIS221A, HIS221B, HIS329A, HIS329B, HIS344A, HIS344B, HIS387A, HIS387B, HIS394A, HIS394B, HIS411A, HIS411B, HIS417A, HIS417B, HIS418A, HIS418B, HIS534A, HIS534B, ILE154A, ILE154B, ILE156A, ILE156B, ILE376A, ILE376B, ILE377A, ILE377B, ILE393A, ILE393B, ILE400A, ILE400B, ILE473A, ILE473B, ILE503A, ILE503B, ILE50A, ILE50B, ILE521A, ILE521B, ILE542A, ILE542B, LEU161A, LEU161B, LEU194A, LEU194B, LEU28A, LEU28B, LEU337A, LEU337B, LEU343A, LEU343B, LEU392A, LEU392B, LEU399A, LEU399B, LEU413A, LEU413B, LEU421A, LEU421B, LEU432A, LEU432B, LEU445A, LEU445B, LEU458A, LEU458B, LEU474A, LEU474B, LEU513A, LEU513B, LEU517A, LEU517B, LEU51A, LEU51B, LEU522A, LEU522B, LEU525A, LEU525B, LEU541A, LEU541B, LYS174A, LYS174B, LYS195A, LYS195B, LYS29A, LYS29B, LYS360A, LYS360B, LYS398A, LYS398B, LYS41A, LYS41B, LYS420A, LYS420B, LYS436A, LYS436B, LYS450A, LYS462A, LYS462B, LYS476A, LYS476B, LYS515A, LYS515B, LYS546A, LYS546B, LYS56A, LYS56B, MET190A, MET190B, MET217A, MET217B, MET355A, MET355B, MET422A, MET422B, PHE181A, PHE181B, PHE32A, PHE32B, PHE350A, PHE350B, PHE389A, PHE389B, PHE39A, PHE39B, PHE404A, PHE404B, PHE425A, PHE425B, PHE426A, PHE426B, PHE434A, PHE434B, PHE461A, PHE461B, PHE464A, PHE464B, PHE46A, PHE46B, PHE504A, PHE504B, PHE545A, PHE545B, PHE548A, PHE548B, PRO172A, PRO172B, PRO338A, PRO338B, PRO368A, PRO368B, PRO375A, PRO375B, PRO381A, PRO381B, PRO401A, PRO401B, PRO407A, PRO407B, PRO460A, PRO460B, PRO523A, PRO523B, SER159A, SER159B, SER183A, SER183B, SER333A, SER333B, SER357A, SER357B, SER36A, SER36B, SER410A, SER410B, SER423A, SER423B, SER437A, SER437B, SER43A, SER43B, SER472A, SER472B, SER505A, SER505B, SER533A, SER533B, SER536A, SER536B, SER537A, SER537B, SER55A, SER55B, THR188A, THR188B, THR193A, THR193B, THR213A, THR213B, THR216A, THR216B, THR218A, THR218B, THR222A, THR222B, THR370A, THR370B, THR373A, THR373B, THR383A, THR383B, THR397A, THR397B, THR429A, THR429B, THR470A, THR470B, THR538A, THR538B, THR92A, THR92B, TRP226A, TRP226B, TRP378A, TRP378B, TRP501A, TRP501B, TRP509A, TRP509B, TYR164A, TYR164B, TYR325A, TYR325B, TYR339A, TYR339B, TYR342A, TYR342B, TYR349A, TYR349B, TYR361A, TYR361B, TYR371A, TYR371B, TYR390A, TYR390B, TYR42A, TYR42B, TYR54A, TYR54B, VAL171A, VAL171B, VAL182A, VAL182B, VAL185A, VAL185B, VAL362A, VAL362B, VAL369A, VAL369B, VAL409A, VAL409B, VAL414A, VAL414B, VAL441A, VAL441B, VAL459A, VAL459B, VAL463A, VAL463B, VAL475A, VAL475B, VAL511A, VAL511B, VAL52A, VAL52B
• A-C: ALA44C, ALA88A, ALA96A, ARG45C, ARG481C, ARG95A, ASN113A, ASP116A, ASP49C, ASP94A, GLN48C, GLU115A, GLU300C, GLU87A, GLY114A, GLY47C, GLY86A, ILE50C, LEU111A, LEU51C, LYS249A, LYS85A, LYS85C, MET1C, PHE46C, SER312C, THR81C, VAL112A
• A-D: GLY114A, PHE548D
• B-C: ALA123C, ALA126C, ALA130C, ALA296C, ALA448B, ALA452B, ALA453B, ALA456B, ARG105C, ARG481C, ASN104C, ASN107C, ASN122C, ASN290C, ASP289C, GLN442B, GLU133C, GLU293C, GLU444B, GLU446B, GLU454B, GLY287C, GLY449B, ILE455B, LEU125C, LEU295C, LEU445B, LYS127C, LYS129C, LYS447B, LYS450B, MET118C, PHE291C, PRO119C, SER106C, SER451B, TYR288C, VAL121C, VAL124C, VAL292C
• C-D: ALA169C, ALA169D, ALA191C, ALA191D, ALA220C, ALA220D, ALA223C, ALA223D, ALA331C, ALA331D, ALA335C, ALA335D, ALA33C, ALA33D, ALA347C, ALA347D, ALA348C, ALA348D, ALA388C, ALA388D, ALA406C, ALA406D, ALA408C, ALA408D, ALA40C, ALA40D, ALA427C, ALA427D, ALA431C, ALA431D, ALA433C, ALA433D, ALA438C, ALA440D, ALA456C, ALA456D, ALA457C, ALA457D, ALA518C, ALA518D, ALA526C, ALA526D, ALA544C, ALA544D, ALA547C, ALA547D, ALA550C, ALA550D, ARG271C, ARG271D, ARG345C, ARG345D, ARG364C, ARG364D, ARG38C, ARG38D, ARG45C, ARG45D, ARG468C, ARG468D, ARG549C, ARG549D, ASN184C, ASN184D, ASN219C, ASN219D, ASN326C, ASN326D, ASN327C, ASN327D, ASN354C, ASN354D, ASN358C, ASN358D, ASN365C, ASN365D, ASN367C, ASN367D, ASN384C, ASN384D, ASN412C, ASN412D, ASN424C, ASN424D, ASN471C, ASN471D, ASN4C, ASN4D, ASN502C, ASN502D, ASN519C, ASN519D, ASN539C, ASN539D, ASN543C, ASN543D, ASN57C, ASN57D, ASP160C, ASP160D, ASP186C, ASP186D, ASP225C, ASP225D, ASP340C, ASP340D, ASP35C, ASP35D, ASP363C, ASP363D, ASP416C, ASP416D, ASP49C, ASP49D, ASP507C, ASP507D, ASP527C, ASP527D, ASP535C, ASP535D, ASP53C, ASP53D, ASP94C, GLN214C, GLN214D, GLN341C, GLN341D, GLN351C, GLN351D, GLN352C, GLN352D, GLN372C, GLN372D, GLN386C, GLN386D, GLN391C, GLN391D, GLN395C, GLN395D, GLN419C, GLN419D, GLN428C, GLN428D, GLN477C, GLN477D, GLN48C, GLN48D, GLN508C, GLN508D, GLN516C, GLN516D, GLN520C, GLN520D, GLN91C, GLN91D, GLU168C, GLU168D, GLU192C, GLU192D, GLU215C, GLU215D, GLU332C, GLU332D, GLU334C, GLU334D, GLU356C, GLU356D, GLU37C, GLU37D, GLU380C, GLU380D, GLU430C, GLU430D, GLU444C, GLU444D, GLU465C, GLU465D, GLU512C, GLU512D, GLU524C, GLU524D, GLU93C, GLU93D, GLY155C, GLY155D, GLY157C, GLY157D, GLY158C, GLY158D, GLY187C, GLY187D, GLY330C, GLY330D, GLY353C, GLY353D, GLY359C, GLY359D, GLY366C, GLY366D, GLY374C, GLY374D, GLY379C, GLY379D, GLY382C, GLY382D, GLY385C, GLY385D, GLY396C, GLY396D, GLY415C, GLY415D, GLY435C, GLY435D, GLY466C, GLY466D, GLY47C, GLY47D, GLY510C, GLY510D, GLY514C, GLY514D, GLY540C, GLY540D, HIS189C, HIS189D, HIS221C, HIS221D, HIS329C, HIS329D, HIS344C, HIS344D, HIS387C, HIS387D, HIS394C, HIS394D, HIS411C, HIS411D, HIS417C, HIS417D, HIS418C, HIS418D, HIS534C, HIS534D, ILE154C, ILE154D, ILE156C, ILE156D, ILE376C, ILE376D, ILE377C, ILE377D, ILE393C, ILE393D, ILE400C, ILE400D, ILE473C, ILE473D, ILE503C, ILE503D, ILE50C, ILE50D, ILE521C, ILE521D, ILE542C, ILE542D, LEU161C, LEU161D, LEU194C, LEU194D, LEU28C, LEU28D, LEU31C, LEU337C, LEU337D, LEU343C, LEU343D, LEU392C, LEU392D, LEU399C, LEU399D, LEU413C, LEU413D, LEU421C, LEU421D, LEU432C, LEU432D, LEU445D, LEU458C, LEU458D, LEU474C, LEU474D, LEU513C, LEU513D, LEU517C, LEU517D, LEU51C, LEU51D, LEU522C, LEU522D, LEU525C, LEU525D, LEU541C, LEU541D, LYS174C, LYS174D, LYS195C, LYS195D, LYS229D, LYS29C, LYS29D, LYS360C, LYS360D, LYS398C, LYS398D, LYS41C, LYS41D, LYS420C, LYS420D, LYS436C, LYS436D, LYS450D, LYS462C, LYS462D, LYS476C, LYS476D, LYS515C, LYS515D, LYS546C, LYS546D, LYS56C, LYS56D, MET190C, MET190D, MET217C, MET217D, MET355C, MET355D, MET422C, MET422D, PHE181C, PHE181D, PHE32C, PHE32D, PHE350C, PHE350D, PHE389C, PHE389D, PHE39C, PHE39D, PHE404C, PHE404D, PHE425C, PHE425D, PHE426C, PHE426D, PHE434C, PHE434D, PHE461C, PHE461D, PHE464C, PHE464D, PHE46C, PHE46D, PHE504C, PHE504D, PHE545C, PHE545D, PHE548C, PHE548D, PRO172C, PRO172D, PRO338C, PRO338D, PRO368C, PRO368D, PRO375C, PRO375D, PRO381C, PRO381D, PRO401C, PRO401D, PRO407C, PRO407D, PRO460C, PRO460D, PRO523C, PRO523D, SER159C, SER159D, SER183C, SER183D, SER333C, SER333D, SER357C, SER357D, SER36C, SER36D, SER410C, SER410D, SER423C, SER423D, SER437C, SER437D, SER43C, SER43D, SER472C, SER472D, SER505C, SER505D, SER533C, SER533D, SER536C, SER536D, SER537C, SER537D, SER55C, SER55D, THR188C, THR188D, THR213C, THR213D, THR216C, THR216D, THR218C, THR218D, THR222C, THR222D, THR370C, THR370D, THR373C, THR373D, THR383C, THR383D, THR397C, THR397D, THR429C, THR429D, THR470C, THR470D, THR538C, THR538D, THR92C, THR92D, TRP226C, TRP226D, TRP378C, TRP378D, TRP501C, TRP501D, TRP509C, TRP509D, TYR164C, TYR164D, TYR325C, TYR339C, TYR339D, TYR342C, TYR342D, TYR349C, TYR349D, TYR361C, TYR361D, TYR371C, TYR371D, TYR390C, TYR390D, TYR42C, TYR42D, TYR54C, TYR54D, VAL171C, VAL171D, VAL182C, VAL182D, VAL185C, VAL185D, VAL362C, VAL362D, VAL369C, VAL369D, VAL409C, VAL409D, VAL414C, VAL414D, VAL441C, VAL441D, VAL459C, VAL459D, VAL463C, VAL463D, VAL475C, VAL475D, VAL511C, VAL511D, VAL52C, VAL52D