2P88

crystal structure of n-succinyl arg/lys racemase from bacillus cereus atcc 14579

• Total interactions analyzed: 28
• Total true interactions: 16
• Strongest Interaction:
  • Chains: C-H
  • Int. Res.: 118
  • Norm. En. per Res.: -4.1445
• Hub Node: A(4)

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	-54.3251	-46.1569	-389.793	-490.2749	133	13	2	15228	4	50	56
A-E	-24.1009	-9.2159	-70.9857	-104.3024	68	2	0	3619	2	22	27
A-F	-58.0518	-149.4973	-279.923	-487.4721	118	10	2	10327	8	68	52
A-G	-20.8326	-6.1526	-64.3774	-91.3626	66	2	0	3599	1	22	27
B-F	-21.4505	-6.0587	-68.7133	-96.2224	66	2	0	3606	1	22	27
B-G	-57.6159	-149.4694	-275.876	-482.9613	119	11	2	10295	8	68	52
B-H	-24.0462	-9.4141	-70.8892	-104.3495	68	2	0	3591	2	22	27
C-D	-45.1239	-47.6611	-359.33	-452.115	132	12	2	14850	4	48	54
C-E	-21.8263	-6.4045	-68.5596	-96.7904	67	2	0	3561	1	22	27
C-G	-24.0894	-4.4245	-67.6093	-96.1232	67	2	0	3499	2	22	27
C-H	-57.3778	-152.1472	-279.529	-489.0539	118	9	2	10347	8	68	52
D-E	-57.1468	-151.3724	-277.392	-485.9112	118	10	2	10288	8	68	52
D-F	-24.6438	-4.2392	-68.4875	-97.3705	67	2	0	3513	2	22	27
D-H	-21.3915	-6.0217	-69.0606	-96.4739	67	2	0	3576	1	22	27
E-F	-71.9162	-53.8667	-409.805	-535.5879	134	19	2	15663	4	48	54
G-H	-63.3727	-53.5914	-405.776	-522.7401	134	20	2	15606	4	48	54

Interface residues

• A-B: ALA281A, ALA281B, ALA284A, ALA284B, ALA287A, ALA287B, ALA310B, ARG126A, ARG126B, ARG233A, ARG233B, ARG250A, ARG250B, ARG253A, ARG253B, ASN116A, ASN116B, ASN78A, ASN78B, ASN81A, ASN81B, ASN91A, ASN91B, ASP87A, ASP87B, ASP90A, ASP90B, GLN117A, GLN117B, GLN121A, GLN121B, GLN254A, GLN254B, GLN283A, GLN283B, GLU129A, GLU129B, GLU251A, GLU251B, GLU259A, GLU259B, GLU285A, GLU285B, GLU345A, GLU345B, GLU83A, GLU83B, GLY112A, GLY112B, GLY124A, GLY124B, GLY125A, GLY125B, GLY288A, GLY288B, HIS128A, HIS128B, HIS282A, HIS282B, HIS86A, HIS86B, ILE123A, ILE123B, ILE255A, ILE255B, ILE256A, ILE256B, ILE289A, ILE289B, ILE315A, ILE315B, ILE316A, ILE316B, ILE82A, ILE82B, ILE85A, ILE85B, LEU115A, LEU115B, LEU122A, LEU122B, LEU258A, LEU258B, LEU280A, LEU280B, LYS114A, LYS114B, LYS257A, LYS257B, LYS279A, LYS279B, LYS313A, LYS313B, LYS314A, LYS314B, LYS84A, LYS84B, MET111A, MET111B, MET1A, MET1B, MET252A, MET252B, MET286A, MET286B, MET80A, MET80B, MET88A, MET88B, PHE108A, PHE108B, PHE311A, PHE311B, PRO118A, PRO118B, PRO276A, PRO276B, PRO79A, PRO79B, SER248A, SER248B, SER249A, SER249B, SER312A, SER312B, TYR120A, TYR120B, TYR127A, TYR127B, TYR275A, TYR275B, VAL278A, VAL278B
• A-E: ALA187E, ALA200A, ALA205A, ALA228A, ALA230A, ALA230E, ALA260E, ALA261E, ALA287E, ARG179E, ARG207A, ARG207E, ARG233E, ASN184E, ASN198A, ASN201A, ASN213E, ASP185E, ASP215E, ASP224A, ASP225A, ASP227A, ASP237E, ASP262E, GLU259E, GLU285E, GLU290E, GLY210E, GLY288E, HIS211E, HIS231A, HIS231E, ILE186E, ILE214E, ILE222A, ILE232A, ILE232E, ILE289E, ILE315E, LEU203A, LEU206A, LEU206E, LEU209E, LEU212E, LEU238E, LEU240E, LEU258A, LEU258E, LYS169A, LYS197A, LYS235A, LYS235E, LYS263E, LYS314E, MET286E, PRO239E, SER199A, SER208A, SER234A, SER234E, THR202A, THR204A, THR236A, THR236E, THR317E, TRP196A, TRP216E, VAL221A
• A-F: ALA223A, ALA223F, ALA228A, ALA228F, ALA50A, ALA50F, ARG12A, ARG12F, ARG250A, ARG250F, ARG253A, ARG253F, ASN91A, ASN91F, ASP224A, ASP224F, ASP225A, ASP225F, ASP227A, ASP227F, ASP51A, ASP51F, ASP52A, ASP52F, ASP90A, ASP90F, GLN194A, GLN194F, GLN254A, GLN254F, GLU244A, GLU244F, GLU251A, GLU251F, GLU57A, GLU57F, GLU60A, GLU60F, GLY245A, GLY245F, GLY56A, GLY56F, GLY95A, GLY95F, HIS231A, HIS231F, HIS53A, HIS53F, HIS64A, HIS64F, HIS68A, HIS68F, ILE222A, ILE222F, ILE226A, ILE226F, ILE93A, ILE93F, LEU246A, LEU246F, LEU258A, LEU258F, LEU66A, LEU66F, LEU70A, LEU70F, LYS100A, LYS100F, LYS197A, LYS197F, LYS247A, LYS247F, LYS257A, LYS257F, LYS67A, LYS67F, MET229A, MET229F, MET252A, MET252F, MET88A, MET88F, MET89A, MET89F, PHE364A, PHE364F, PHE63A, PHE63F, PRO97A, PRO97F, SER248A, SER248F, SER249A, SER249F, SER58A, SER58F, SER61A, SER61F, THR55A, THR55F, THR62A, THR62F, THR65A, THR65F, THR69A, THR69F, THR92A, THR92F, TRP59A, TRP59F, TYR23A, TYR23F, TYR94A, TYR94F, VAL54A, VAL54F, VAL96A, VAL96F
• A-G: ALA187A, ALA200G, ALA228G, ALA230A, ALA230G, ALA260A, ALA261A, ALA287A, ARG179A, ARG207A, ARG207G, ARG233A, ASN184A, ASN198G, ASN201G, ASN213A, ASP185A, ASP215A, ASP224G, ASP225G, ASP227G, ASP237A, ASP262A, GLU259A, GLU285A, GLU290A, GLY210A, GLY288A, HIS211A, HIS231A, HIS231G, ILE186A, ILE214A, ILE222G, ILE232A, ILE232G, ILE289A, ILE315A, LEU203G, LEU206A, LEU206G, LEU209A, LEU212A, LEU238A, LEU240A, LEU258G, LYS169G, LYS197G, LYS235A, LYS235G, LYS263A, LYS314A, MET286A, PRO239A, SER199G, SER208G, SER234A, SER234G, THR202G, THR204G, THR236A, THR236G, THR317A, TRP196G, TRP216A, VAL221G
• B-F: ALA187B, ALA200F, ALA228F, ALA230B, ALA230F, ALA260B, ALA261B, ALA287B, ARG179B, ARG207B, ARG207F, ARG233B, ASN184B, ASN198F, ASN201F, ASN213B, ASP185B, ASP215B, ASP224F, ASP225F, ASP227F, ASP237B, ASP262B, GLU259B, GLU285B, GLU290B, GLY210B, GLY288B, HIS211B, HIS231B, HIS231F, ILE186B, ILE214B, ILE222F, ILE232B, ILE232F, ILE289B, ILE315B, LEU203F, LEU206B, LEU206F, LEU209B, LEU212B, LEU238B, LEU240B, LEU258F, LYS169F, LYS197F, LYS235B, LYS235F, LYS263B, LYS314B, MET286B, PRO239B, SER199F, SER208F, SER234B, SER234F, THR202F, THR204F, THR236B, THR236F, THR317B, TRP196F, TRP216B, VAL221F
• B-G: ALA223B, ALA223G, ALA228B, ALA228G, ALA50B, ALA50G, ARG12B, ARG12G, ARG250B, ARG250G, ARG253B, ARG253G, ASN91B, ASN91G, ASP224B, ASP224G, ASP225B, ASP225G, ASP227B, ASP227G, ASP51B, ASP51G, ASP52B, ASP52G, ASP90B, ASP90G, GLN194B, GLN194G, GLN254B, GLN254G, GLU244B, GLU244G, GLU251B, GLU251G, GLU57B, GLU57G, GLU60B, GLU60G, GLY245B, GLY245G, GLY56B, GLY56G, GLY95B, GLY95G, HIS231B, HIS231G, HIS53B, HIS53G, HIS64B, HIS64G, HIS68B, HIS68G, ILE222B, ILE222G, ILE226B, ILE226G, ILE93B, ILE93G, LEU246B, LEU246G, LEU258B, LEU258G, LEU66B, LEU66G, LEU70B, LEU70G, LYS100B, LYS100G, LYS197B, LYS197G, LYS247B, LYS247G, LYS257B, LYS257G, LYS67B, LYS67G, MET229B, MET229G, MET252B, MET252G, MET88B, MET88G, MET89B, MET89G, PHE364B, PHE364G, PHE63B, PHE63G, PRO97B, PRO97G, SER248B, SER248G, SER249B, SER249G, SER58B, SER58G, SER61B, SER61G, THR55B, THR55G, THR62B, THR62G, THR65B, THR65G, THR69B, THR69G, THR92B, THR92G, TRP59B, TRP59G, TYR23B, TYR23G, TYR26B, TYR94B, TYR94G, VAL54B, VAL54G, VAL96B, VAL96G
• B-H: ALA187H, ALA200B, ALA205B, ALA228B, ALA230B, ALA230H, ALA260H, ALA261H, ALA287H, ARG179H, ARG207B, ARG207H, ARG233H, ASN184H, ASN198B, ASN201B, ASN213H, ASP185H, ASP215H, ASP224B, ASP225B, ASP227B, ASP237H, ASP262H, GLU259H, GLU285H, GLU290H, GLY210H, GLY288H, HIS211H, HIS231B, HIS231H, ILE186H, ILE214H, ILE222B, ILE232B, ILE232H, ILE289H, ILE315H, LEU203B, LEU206B, LEU206H, LEU209H, LEU212H, LEU238H, LEU240H, LEU258B, LEU258H, LYS169B, LYS197B, LYS235B, LYS235H, LYS263H, LYS314H, MET286H, PRO239H, SER199B, SER208B, SER234B, SER234H, THR202B, THR204B, THR236B, THR236H, THR317H, TRP196B, TRP216H, VAL221B
• C-D: ALA281C, ALA281D, ALA284C, ALA284D, ALA287C, ALA287D, ARG126C, ARG126D, ARG233C, ARG233D, ARG250C, ARG250D, ARG253C, ARG253D, ASN116C, ASN116D, ASN78C, ASN78D, ASN81C, ASN81D, ASN91C, ASN91D, ASP87C, ASP87D, ASP90C, ASP90D, GLN117C, GLN117D, GLN121C, GLN121D, GLN254C, GLN254D, GLN283C, GLN283D, GLU129C, GLU129D, GLU251C, GLU251D, GLU259C, GLU259D, GLU285C, GLU285D, GLU345C, GLU345D, GLU83C, GLU83D, GLY112C, GLY112D, GLY124C, GLY124D, GLY125C, GLY125D, GLY288C, GLY288D, HIS128C, HIS128D, HIS282C, HIS282D, HIS86C, HIS86D, ILE123C, ILE123D, ILE255C, ILE255D, ILE256C, ILE256D, ILE289C, ILE289D, ILE315C, ILE315D, ILE316C, ILE316D, ILE82C, ILE82D, ILE85C, ILE85D, LEU115C, LEU115D, LEU122C, LEU122D, LEU258C, LEU258D, LEU280C, LEU280D, LYS114C, LYS114D, LYS257C, LYS257D, LYS279C, LYS279D, LYS313C, LYS313D, LYS314C, LYS314D, LYS84C, LYS84D, MET111C, MET111D, MET1C, MET1D, MET252C, MET252D, MET286C, MET286D, MET80C, MET80D, MET88C, MET88D, PHE108C, PHE108D, PHE311C, PHE311D, PRO118C, PRO118D, PRO276C, PRO276D, PRO79C, PRO79D, SER248C, SER248D, SER249C, SER249D, SER312C, SER312D, TYR120C, TYR120D, TYR127C, TYR127D, TYR275C, TYR275D, VAL278C, VAL278D
• C-E: ALA187C, ALA200E, ALA205E, ALA228E, ALA230C, ALA230E, ALA260C, ALA261C, ALA287C, ARG179C, ARG207C, ARG207E, ARG233C, ASN184C, ASN198E, ASN201E, ASN213C, ASP185C, ASP215C, ASP224E, ASP225E, ASP227E, ASP237C, ASP262C, GLU259C, GLU285C, GLU290C, GLY210C, GLY288C, HIS211C, HIS231C, HIS231E, ILE186C, ILE214C, ILE222E, ILE232C, ILE232E, ILE289C, ILE315C, LEU203E, LEU206C, LEU206E, LEU209C, LEU212C, LEU238C, LEU240C, LEU258E, LYS169E, LYS197E, LYS235C, LYS235E, LYS263C, LYS314C, MET286C, PRO239C, SER199E, SER208E, SER234C, SER234E, THR202E, THR204E, THR236C, THR236E, THR317C, TRP196E, TRP216C, VAL221E
• C-G: ALA187G, ALA200C, ALA205C, ALA228C, ALA230C, ALA230G, ALA260G, ALA261G, ALA287G, ARG179G, ARG207C, ARG207G, ARG233G, ASN184G, ASN198C, ASN201C, ASN213G, ASP185G, ASP215G, ASP224C, ASP225C, ASP227C, ASP237G, ASP262G, GLU259G, GLU285G, GLU290G, GLY210G, GLY288G, HIS211G, HIS231C, HIS231G, ILE186G, ILE214G, ILE222C, ILE232C, ILE232G, ILE289G, ILE315G, LEU203C, LEU206C, LEU206G, LEU209G, LEU212G, LEU238G, LEU240G, LEU258C, LEU258G, LYS169C, LYS197C, LYS235C, LYS235G, LYS263G, LYS314G, MET286G, PRO239G, SER199C, SER208C, SER234C, SER234G, THR202C, THR204C, THR236C, THR236G, THR317G, TRP196C, TRP216G
• C-H: ALA223C, ALA223H, ALA228C, ALA228H, ALA50C, ALA50H, ARG12C, ARG12H, ARG250C, ARG250H, ARG253C, ARG253H, ASN91C, ASN91H, ASP224C, ASP224H, ASP225C, ASP225H, ASP227C, ASP227H, ASP51C, ASP51H, ASP52C, ASP52H, ASP90C, ASP90H, GLN194C, GLN194H, GLN254C, GLN254H, GLU244C, GLU244H, GLU251C, GLU251H, GLU57C, GLU57H, GLU60C, GLU60H, GLY245C, GLY245H, GLY56C, GLY56H, GLY95C, GLY95H, HIS231C, HIS231H, HIS53C, HIS53H, HIS64C, HIS64H, HIS68C, HIS68H, ILE222C, ILE222H, ILE226C, ILE226H, ILE93C, ILE93H, LEU246C, LEU246H, LEU258C, LEU258H, LEU66C, LEU66H, LEU70C, LEU70H, LYS100C, LYS100H, LYS197C, LYS197H, LYS247C, LYS247H, LYS257C, LYS257H, LYS67C, LYS67H, MET229C, MET229H, MET252C, MET252H, MET88C, MET88H, MET89C, MET89H, PHE364C, PHE364H, PHE63C, PHE63H, PRO97C, PRO97H, SER248C, SER248H, SER249C, SER249H, SER58C, SER58H, SER61C, SER61H, THR55C, THR55H, THR62C, THR62H, THR65C, THR65H, THR69C, THR69H, THR92C, THR92H, TRP59C, TRP59H, TYR23C, TYR23H, TYR94C, TYR94H, VAL54C, VAL54H, VAL96C, VAL96H
• D-E: ALA223D, ALA223E, ALA228D, ALA228E, ALA50D, ALA50E, ARG12D, ARG12E, ARG250D, ARG250E, ARG253D, ARG253E, ASN91D, ASN91E, ASP224D, ASP224E, ASP225D, ASP225E, ASP227D, ASP227E, ASP51D, ASP51E, ASP52D, ASP52E, ASP90D, ASP90E, GLN194D, GLN194E, GLN254D, GLN254E, GLU244D, GLU244E, GLU251D, GLU251E, GLU57D, GLU57E, GLU60D, GLU60E, GLY245D, GLY245E, GLY56D, GLY56E, GLY95D, GLY95E, HIS231D, HIS231E, HIS53D, HIS53E, HIS64D, HIS64E, HIS68D, HIS68E, ILE222D, ILE222E, ILE226D, ILE226E, ILE93D, ILE93E, LEU246D, LEU246E, LEU258D, LEU258E, LEU66D, LEU66E, LEU70D, LEU70E, LYS100D, LYS100E, LYS197D, LYS197E, LYS247D, LYS247E, LYS257D, LYS257E, LYS67D, LYS67E, MET229D, MET229E, MET252D, MET252E, MET88D, MET88E, MET89D, MET89E, PHE364D, PHE364E, PHE63D, PHE63E, PRO97D, PRO97E, SER248D, SER248E, SER249D, SER249E, SER58D, SER58E, SER61D, SER61E, THR55D, THR55E, THR62D, THR62E, THR65D, THR65E, THR69D, THR69E, THR92D, THR92E, TRP59D, TRP59E, TYR23D, TYR23E, TYR94D, TYR94E, VAL54D, VAL54E, VAL96D, VAL96E
• D-F: ALA187F, ALA200D, ALA205D, ALA228D, ALA230D, ALA230F, ALA260F, ALA261F, ALA287F, ARG179F, ARG207D, ARG207F, ARG233F, ASN184F, ASN198D, ASN201D, ASN213F, ASP185F, ASP215F, ASP224D, ASP225D, ASP227D, ASP237F, ASP262F, GLU259F, GLU285F, GLU290F, GLY210F, GLY288F, HIS211F, HIS231D, HIS231F, ILE186F, ILE214F, ILE222D, ILE232D, ILE232F, ILE289F, ILE315F, LEU203D, LEU206D, LEU206F, LEU209F, LEU212F, LEU238F, LEU240F, LEU258D, LEU258F, LYS169D, LYS197D, LYS235D, LYS235F, LYS263F, LYS314F, MET286F, PRO239F, SER199D, SER208D, SER234D, SER234F, THR202D, THR204D, THR236D, THR236F, THR317F, TRP196D, TRP216F
• D-H: ALA187D, ALA200H, ALA205H, ALA228H, ALA230D, ALA230H, ALA260D, ALA261D, ALA287D, ARG179D, ARG207D, ARG207H, ARG233D, ASN184D, ASN198H, ASN201H, ASN213D, ASP185D, ASP215D, ASP224H, ASP225H, ASP227H, ASP237D, ASP262D, GLU259D, GLU285D, GLU290D, GLY210D, GLY288D, HIS211D, HIS231D, HIS231H, ILE186D, ILE214D, ILE222H, ILE232D, ILE232H, ILE289D, ILE315D, LEU203H, LEU206D, LEU206H, LEU209D, LEU212D, LEU238D, LEU240D, LEU258H, LYS169H, LYS197H, LYS235D, LYS235H, LYS263D, LYS314D, MET286D, PRO239D, SER199H, SER208H, SER234D, SER234H, THR202H, THR204H, THR236D, THR236H, THR317D, TRP196H, TRP216D, VAL221H
• E-F: ALA281E, ALA281F, ALA284E, ALA284F, ALA287E, ALA287F, ALA310E, ALA310F, ARG126E, ARG126F, ARG233E, ARG233F, ARG250E, ARG250F, ARG253E, ARG253F, ASN116E, ASN116F, ASN78E, ASN78F, ASN81E, ASN81F, ASN91E, ASN91F, ASP87E, ASP87F, ASP90E, ASP90F, GLN117E, GLN117F, GLN121E, GLN121F, GLN254E, GLN254F, GLN283E, GLN283F, GLU129E, GLU129F, GLU251E, GLU251F, GLU259E, GLU259F, GLU285E, GLU285F, GLU345E, GLU345F, GLU83E, GLU83F, GLY112E, GLY112F, GLY124E, GLY124F, GLY125E, GLY125F, GLY288E, GLY288F, HIS128E, HIS128F, HIS282E, HIS282F, HIS86E, HIS86F, ILE123E, ILE123F, ILE255E, ILE255F, ILE256E, ILE256F, ILE289E, ILE289F, ILE315E, ILE315F, ILE316E, ILE316F, ILE82E, ILE82F, ILE85E, ILE85F, LEU115E, LEU115F, LEU122E, LEU122F, LEU258E, LEU258F, LEU280E, LEU280F, LYS114E, LYS114F, LYS257E, LYS257F, LYS279E, LYS279F, LYS313E, LYS313F, LYS314E, LYS314F, LYS84E, LYS84F, MET111E, MET111F, MET1E, MET1F, MET252E, MET252F, MET286E, MET286F, MET80E, MET80F, MET88E, MET88F, PHE108E, PHE108F, PHE311E, PHE311F, PRO118E, PRO118F, PRO276E, PRO276F, PRO79E, PRO79F, SER248E, SER248F, SER249E, SER249F, SER312E, SER312F, TYR120E, TYR120F, TYR127E, TYR127F, TYR275E, TYR275F, VAL278E, VAL278F
• G-H: ALA281G, ALA281H, ALA284G, ALA284H, ALA287G, ALA287H, ALA310G, ALA310H, ARG126G, ARG126H, ARG233G, ARG233H, ARG250G, ARG250H, ARG253G, ARG253H, ASN116G, ASN116H, ASN78G, ASN78H, ASN81G, ASN81H, ASN91G, ASN91H, ASP87G, ASP87H, ASP90G, ASP90H, GLN117G, GLN117H, GLN121G, GLN121H, GLN254G, GLN254H, GLN283G, GLN283H, GLU129G, GLU129H, GLU251G, GLU251H, GLU259G, GLU259H, GLU285G, GLU285H, GLU345G, GLU345H, GLU83G, GLU83H, GLY112G, GLY112H, GLY124G, GLY124H, GLY125G, GLY125H, GLY288G, GLY288H, HIS128G, HIS128H, HIS282G, HIS282H, HIS86G, HIS86H, ILE123G, ILE123H, ILE255G, ILE255H, ILE256G, ILE256H, ILE289G, ILE289H, ILE315G, ILE315H, ILE316G, ILE316H, ILE82G, ILE82H, ILE85G, ILE85H, LEU115G, LEU115H, LEU122G, LEU122H, LEU258G, LEU258H, LEU280G, LEU280H, LYS114G, LYS114H, LYS257G, LYS257H, LYS279G, LYS279H, LYS313G, LYS313H, LYS314G, LYS314H, LYS84G, LYS84H, MET111G, MET111H, MET1G, MET1H, MET252G, MET252H, MET286G, MET286H, MET80G, MET80H, MET88G, MET88H, PHE108G, PHE108H, PHE311G, PHE311H, PRO118G, PRO118H, PRO276G, PRO276H, PRO79G, PRO79H, SER248G, SER248H, SER249G, SER249H, SER312G, SER312H, TYR120G, TYR120H, TYR127G, TYR127H, TYR275G, TYR275H, VAL278G, VAL278H