2DW6

crystal structure of the mutant k184a of d-tartrate dehydratase from bradyrhizobium japonicum complexed with mg++ and d-tartrate

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 166
  • Norm. En. per Res.: -4.619
• 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	-70.8188	-199.0212	-513.809	-783.6491	171	26	1	20591	12	86	65
A-C	-4.14	9.9593	-95.4103	-89.591	58	1	0	4087	0	28	29
A-D	-13.3576	21.1127	-32.3559	-24.6008	34	2	5	1676	4	2	8
B-C	-22.7805	18.6717	-35.162	-39.2707	32	3	4	1615	3	4	9
B-D	0.0	7.7214	-98.4509	-90.7295	57	2	0	4211	0	28	29
C-D	-92.2784	-193.6834	-480.793	-766.7548	166	30	1	19463	11	83	65

Interface residues

• A-B: ALA112A, ALA112B, ALA214A, ALA214B, ALA248A, ALA248B, ALA251A, ALA251B, ALA273A, ALA273B, ARG109A, ARG109B, ARG20A, ARG20B, ARG217A, ARG217B, ARG274A, ARG274B, ARG278A, ARG278B, ARG57A, ARG57B, ARG65A, ARG65B, ARG67A, ARG67B, ARG71A, ARG71B, ASN100A, ASN100B, ASN215A, ASN215B, ASN21A, ASN21B, ASN266A, ASN266B, ASN275A, ASN275B, ASN53A, ASN53B, ASN55A, ASN55B, ASP213A, ASP213B, ASP243A, ASP243B, ASP246A, ASP246B, ASP25A, ASP25B, ASP272A, ASP272B, GLN250A, GLN250B, GLN271A, GLN271B, GLN60A, GLN60B, GLU101A, GLU101B, GLU108A, GLU108B, GLU239A, GLU239B, GLU240A, GLU240B, GLU265A, GLU265B, GLU66A, GLU66B, GLU74A, GLU74B, GLY104A, GLY104B, GLY105A, GLY105B, GLY107A, GLY107B, GLY216A, GLY216B, GLY242A, GLY242B, GLY280A, GLY280B, GLY281A, GLY56A, GLY56B, GLY59A, GLY59B, GLY61A, GLY61B, GLY62A, GLY62B, HIS106A, HIS106B, HIS270A, HIS270B, HIS312A, HIS312B, HIS322A, HIS322B, ILE24A, ILE24B, ILE99A, ILE99B, LEU220A, LEU220B, LEU245A, LEU245B, LEU249A, LEU249B, LEU267A, LEU267B, LEU276A, LEU276B, LEU295A, LEU295B, LEU63A, LEU63B, LYS102A, LYS102B, LYS28A, LYS28B, MET29A, MET29B, MET98A, MET98B, PHE268A, PHE268B, PHE26A, PHE26B, PHE347A, PHE347B, PHE68A, PHE68B, PRO103A, PRO103B, PRO244A, PRO244B, SER110A, SER110B, SER269A, SER269B, SER54A, SER54B, SER70A, SER70B, THR12A, THR12B, THR27A, THR27B, THR30A, THR30B, TRP94A, TRP94B, TYR156A, TYR156B, TYR23A, TYR23B, TYR247A, TYR247B, TYR279A, TYR279B, TYR297A, TYR297B, TYR343A, TYR343B, TYR58A, TYR58B, VAL111A, VAL111B
• A-C: ALA251A, ALA251C, ALA252A, ALA252C, ALA254A, ALA254C, ARG274A, ARG274C, ARG278A, ARG278C, ARG283A, ARG283C, ARG286A, ARG286C, ASP285A, ASP285C, ASP287A, ASP287C, GLU255A, GLU255C, GLU307A, GLU307C, GLY281A, GLY281C, GLY313A, GLY313C, HIS312A, HIS312C, LEU253A, LEU253C, LEU277A, LEU277C, LEU309A, LEU309C, LYS310A, LYS310C, MET282A, MET282C, PHE256A, PHE256C, PRO258A, PRO258C, PRO284A, PRO284C, PRO316A, PRO316C, SER315A, SER315C, THR311A, THR311C, TRP314A, TRP314C, TYR257A, TYR257C, TYR279A, TYR279C, VAL308A, VAL308C
• A-D: ALA225A, ALA225D, ALA248A, ALA248D, ALA251A, ALA251D, ALA252A, ALA252D, ARG231A, ARG231D, ASN219A, ASN219D, ASP246A, ASP246D, GLU221A, GLU221D, GLU255A, GLU255D, ILE224A, ILE224D, LEU220A, LEU220D, LEU249A, LEU249D, LEU253A, LEU253D, LYS228A, LYS228D, PHE256A, PHE256D, THR222A, THR222D, TYR279A, TYR279D
• B-C: ALA248B, ALA248C, ALA251B, ALA251C, ALA252B, ALA252C, ARG231B, ARG231C, ASN219B, ASN219C, ASP246B, ASP246C, GLU221B, GLU221C, GLU255B, GLU255C, ILE224B, ILE224C, LEU220B, LEU220C, LEU249B, LEU249C, LEU253B, LEU253C, LYS228B, LYS228C, PHE256B, PHE256C, THR222B, THR222C, TYR279B, TYR279C
• B-D: ALA251B, ALA251D, ALA252B, ALA252D, ALA254B, ALA254D, ARG274B, ARG274D, ARG278B, ARG278D, ARG283B, ARG283D, ARG286B, ARG286D, ASP285B, ASP285D, ASP287B, ASP287D, GLU255B, GLU255D, GLU307B, GLU307D, GLY281B, GLY281D, GLY313B, GLY313D, HIS312B, HIS312D, LEU253D, LEU277B, LEU277D, LEU309B, LEU309D, LYS310B, LYS310D, MET261D, MET282B, MET282D, PHE256B, PHE256D, PRO258B, PRO258D, PRO284B, PRO284D, PRO316B, SER315B, SER315D, THR311B, THR311D, TRP314B, TRP314D, TYR257B, TYR257D, TYR279B, TYR279D, VAL308B, VAL308D
• C-D: ALA112C, ALA112D, ALA214C, ALA22D, ALA248C, ALA248D, ALA251C, ALA251D, ALA273C, ALA273D, ARG109C, ARG109D, ARG20C, ARG20D, ARG217C, ARG217D, ARG274C, ARG274D, ARG278C, ARG278D, ARG57C, ARG57D, ARG65C, ARG65D, ARG67C, ARG67D, ARG71C, ARG71D, ASN100C, ASN100D, ASN215C, ASN215D, ASN21C, ASN21D, ASN266C, ASN266D, ASN275C, ASN275D, ASN53C, ASN53D, ASN55C, ASN55D, ASP213C, ASP213D, ASP243C, ASP243D, ASP246C, ASP246D, ASP25C, ASP25D, ASP272C, ASP272D, GLN250C, GLN250D, GLN271C, GLN271D, GLN60C, GLN60D, GLU101C, GLU101D, GLU108C, GLU108D, GLU239C, GLU239D, GLU240C, GLU240D, GLU265C, GLU265D, GLU66C, GLU66D, GLU74C, GLU74D, GLY104C, GLY104D, GLY105C, GLY105D, GLY107C, GLY107D, GLY216C, GLY216D, GLY242C, GLY242D, GLY280C, GLY280D, GLY56C, GLY56D, GLY59C, GLY59D, GLY61C, GLY61D, GLY62C, GLY62D, HIS106C, HIS106D, HIS270C, HIS270D, HIS312C, HIS312D, HIS322C, HIS322D, ILE24C, ILE24D, ILE99C, ILE99D, LEU220C, LEU220D, LEU245C, LEU245D, LEU249C, LEU249D, LEU267C, LEU267D, LEU276C, LEU276D, LEU295C, LEU295D, LEU63C, LEU63D, LYS102C, LYS102D, LYS28C, LYS28D, MET29C, MET29D, MET98C, MET98D, PHE268C, PHE268D, PHE26C, PHE26D, PHE347C, PHE68C, PHE68D, PRO103C, PRO103D, PRO244C, PRO244D, SER110C, SER110D, SER269C, SER269D, SER54C, SER54D, SER70C, SER70D, THR12C, THR12D, THR27C, THR27D, THR30C, THR30D, TYR156C, TYR23C, TYR23D, TYR247C, TYR247D, TYR279C, TYR279D, TYR297C, TYR297D, TYR343C, TYR343D, TYR58C, TYR58D, VAL111C, VAL111D