3UDU

crystal structure of putative 3-isopropylmalate dehydrogenase from campylobacter jejuni

• Total interactions analyzed: 28
• Total true interactions: 19
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 169
  • Norm. En. per Res.: -4.6767
• Hub Node: A(5)

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	-244.5618	87.0295	-632.63	-790.1623	172	29	34	25518	4	44	56
A-C	0.0	0.0	-0.0439	-0.0439	6	0	0	22	0	4	5
A-D	0.0	1.4159	-0.3398	1.076	9	0	0	122	0	6	4
A-E	0.0	0.0	-0.2213	-0.2213	5	0	0	40	0	2	3
A-G	-14.6324	-24.9832	-44.5899	-84.2055	47	3	0	2689	2	22	20
B-C	0.0	0.0	-0.1081	-0.1081	8	0	0	51	0	5	3
B-D	-3.1831	8.3039	-5.0097	0.1111	15	1	0	354	2	6	6
B-E	0.0	-8.6598	-20.9847	-29.6445	37	1	0	1533	1	16	14
B-G	0.0	1.613	-5.1628	-3.5498	15	0	0	443	0	9	5
C-D	-243.6135	86.7242	-633.473	-790.3623	169	29	34	25406	4	44	56
C-E	-25.0352	-4.7912	-41.8326	-71.659	43	4	0	2260	2	23	28
C-F	0.0	3.3901	-3.6546	-0.2645	10	0	0	386	0	11	7
C-G	-20.0841	1.7004	-60.5001	-78.8838	44	3	0	2587	0	8	14
C-H	0.0	0.0	-0.6277	-0.6277	13	0	0	158	0	6	4
D-F	-2.6243	4.4955	-35.0991	-33.2279	42	3	0	2015	0	19	14
D-G	-25.9098	-2.9523	-43.8536	-72.7157	46	3	0	2191	2	21	29
E-G	-31.2717	62.0123	-90.745	-60.0044	56	3	4	3593	1	19	23
F-G	0.0	2.353	-2.5617	-0.2087	9	0	0	336	0	3	2
F-H	-36.3392	55.985	-92.4006	-72.7548	58	3	3	3779	0	20	22

Interface residues

• A-B: ALA119A, ALA119B, ALA155A, ALA155B, ALA194A, ALA194B, ALA223A, ALA223B, ALA224A, ALA224B, ALA252A, ALA252B, ALA253A, ALA253B, ARG108A, ARG137A, ARG137B, ARG200A, ARG200B, ARG91A, ASN124A, ASN124B, ASN191A, ASN191B, ASN222A, ASN222B, ASN230A, ASN230B, ASN241A, ASN241B, ASN255A, ASN255B, ASP149A, ASP149B, ASP157A, ASP157B, ASP188A, ASP188B, ASP221A, ASP221B, ASP245A, ASP245B, ASP249A, ASP249B, GLN148A, GLN148B, GLN226A, GLN226B, GLU125A, GLU125B, GLU153A, GLU153B, GLU159A, GLU159B, GLU165A, GLU165B, GLU167A, GLU201A, GLU201B, GLU250A, GLU250B, GLY142A, GLY142B, GLY146A, GLY146B, GLY151A, GLY151B, GLY244A, GLY244B, GLY256A, GLY256B, HIS118A, HIS118B, ILE112A, ILE112B, ILE126A, ILE126B, ILE127A, ILE127B, ILE143A, ILE143B, ILE160A, ILE160B, ILE166A, ILE166B, ILE187A, ILE187B, ILE197A, ILE197B, ILE227A, ILE227B, ILE246A, ILE246B, ILE254A, ILE254B, ILE85A, LEU116A, LEU116B, LEU122A, LEU122B, LEU150A, LEU150B, LEU193A, LEU193B, LEU198A, LEU198B, LEU242A, LEU242B, LEU247A, LEU247B, LEU251A, LEU251B, LEU258A, LEU258B, LYS123A, LYS123B, LYS147A, LYS147B, LYS152A, LYS152B, LYS163A, LYS163B, LYS164A, LYS164B, LYS189A, LYS189B, LYS229A, LYS229B, MET225A, MET225B, PHE145A, PHE145B, PHE243A, PHE243B, PRO121A, PRO121B, PRO231A, PRO231B, SER120A, SER120B, SER154A, SER154B, SER195A, SER195B, SER196A, SER196B, SER248A, SER248B, THR117A, THR117B, THR158A, THR158B, THR162A, THR162B, TRP199A, TRP199B, TYR144A, TYR144B, TYR156A, TYR156B, TYR161A, TYR161B, TYR219A, TYR219B, VAL192A, VAL192B, VAL202A, VAL202B, VAL220A, VAL220B, VAL228A, VAL228B
• A-C: GLN128C, GLU125C, GLU153A, GLY151A, SER154A, TYR156A
• A-D: GLN148A, GLY146A, HIS118D, LYS147A, LYS328D, LYS336D, LYS99A, PHE145A, SER337D
• A-E: ASN82E, ASP50E, GLU153A, LEU83E, LYS79E
• A-G: ALA69G, ARG168G, ARG171G, ARG88A, ASN205G, ASN82A, ASP149A, ASP209G, ASP268G, ASP50A, ASP58A, ASP68G, ASP86A, GLN66G, GLN87A, GLU153A, GLU167G, GLU38G, GLY151A, GLY53A, ILE49A, ILE85A, LEU150A, LEU56A, LEU83A, LYS147A, LYS152A, LYS163G, LYS164G, LYS208G, LYS269G, LYS2G, LYS5G, PHE307G, PHE37G, PRO84A, SER36G, SER57A, SER67G, THR3G, TRP80A, TYR4G, TYR52A, VAL202G, VAL206G, VAL54A, VAL6G
• B-C: ASN124C, GLN128C, HIS118C, ILE160B, LYS123C, LYS147B, LYS99B, SER337C
• B-D: ASN124D, ASP149B, GLN128D, GLN148B, GLU114D, GLU125D, GLU153B, GLY151B, ILE126D, LEU150B, LYS123D, LYS147B, LYS152B, SER154B, TYR156B
• B-E: ARG168B, ARG171B, ARG88E, ASN205B, ASN40B, ASN82E, ASP149E, ASP209B, ASP268B, ASP50E, ASP81E, ASP86E, GLN66B, GLN87E, GLU167B, GLU38B, GLY151E, GLY53E, ILE49E, ILE85E, LEU150E, LEU63B, LEU83E, LYS152E, LYS163B, LYS164B, LYS208B, LYS269B, LYS5B, LYS79E, PRO84E, THR3B, TRP80E, TYR210B, TYR52E, VAL206B, VAL54E
• B-G: ALA204B, ASN205B, ASP58G, ASP68G, GLN211B, GLN66G, GLU201B, GLU59G, GLU65G, LEU63G, LYS163B, LYS208B, LYS5G, LYS62G, VAL202B
• C-D: ALA119C, ALA119D, ALA155C, ALA155D, ALA194C, ALA194D, ALA223C, ALA223D, ALA224C, ALA224D, ALA252C, ALA252D, ALA253C, ALA253D, ARG108D, ARG137C, ARG137D, ARG200C, ARG200D, ASN124C, ASN124D, ASN191C, ASN191D, ASN222C, ASN222D, ASN230C, ASN230D, ASN241C, ASN241D, ASN255C, ASN255D, ASP149C, ASP149D, ASP157C, ASP157D, ASP188C, ASP188D, ASP221C, ASP221D, ASP245C, ASP245D, ASP249C, ASP249D, GLN148C, GLN148D, GLN226C, GLN226D, GLU125C, GLU125D, GLU153C, GLU153D, GLU159C, GLU159D, GLU165C, GLU165D, GLU201C, GLU201D, GLU250C, GLU250D, GLY142C, GLY142D, GLY146C, GLY146D, GLY151C, GLY151D, GLY244C, GLY244D, GLY256C, GLY256D, HIS118C, HIS118D, ILE112C, ILE112D, ILE126C, ILE126D, ILE127C, ILE127D, ILE143C, ILE143D, ILE160C, ILE160D, ILE166C, ILE166D, ILE187C, ILE187D, ILE197C, ILE197D, ILE227C, ILE227D, ILE246C, ILE246D, ILE254C, ILE254D, LEU116C, LEU116D, LEU122C, LEU122D, LEU150C, LEU150D, LEU193C, LEU193D, LEU198C, LEU198D, LEU242C, LEU242D, LEU247C, LEU247D, LEU251C, LEU251D, LEU258C, LEU258D, LYS123C, LYS123D, LYS147C, LYS147D, LYS152C, LYS152D, LYS163C, LYS163D, LYS164C, LYS164D, LYS189C, LYS189D, LYS229C, LYS229D, MET225C, MET225D, PHE145C, PHE145D, PHE243C, PHE243D, PRO121C, PRO121D, PRO231C, PRO231D, SER120C, SER120D, SER154C, SER154D, SER195C, SER195D, SER196C, SER196D, SER248C, SER248D, THR117C, THR117D, THR158C, THR158D, THR162C, THR162D, TRP199C, TRP199D, TYR144C, TYR144D, TYR156C, TYR156D, TYR161C, TYR161D, TYR219C, TYR219D, VAL192C, VAL192D, VAL202C, VAL202D, VAL220C, VAL220D, VAL228C, VAL228D
• C-E: ALA177C, ALA325C, ALA335E, ARG178C, ARG180C, ASN288E, ASN318C, ASN340E, ASN34C, ASN82E, ASP212C, ASP235C, ASP283E, ASP315C, ASP81E, GLN211C, GLN311C, GLN314C, GLU114C, GLU175C, GLU310C, GLU317C, GLU343E, HIS286E, ILE179C, ILE213C, ILE284E, ILE289E, LEU287E, LEU322C, LYS181C, LYS182C, LYS183C, LYS304C, LYS308C, LYS331E, LYS336E, PRO121E, PRO282E, SER176C, SER337E, THR341E, TYR338E
• C-F: ASN205C, GLN66F, GLU167C, GLU201C, GLU65F, HIS100F, LYS163C, LYS208C, LYS5F, LYS62F
• C-G: ALA30G, ASN124C, ASN214C, ASN222C, ASN230C, ASN34G, ASN357G, ASP356G, GLN128C, GLN226C, GLN31G, GLU125C, GLU216C, GLU350G, GLY130C, HIS185C, ILE126C, ILE127C, ILE233C, ILE29G, LEU122C, LEU215C, LEU349G, LYS123C, LYS129C, LYS183C, LYS229C, LYS2G, LYS32G, LYS353G, MET218C, MET225C, PHE28G, PHE35G, PHE37G, PRO231C, SER232C, SER36G, THR27G, THR3G, TYR217C, TYR219C, TYR33G, VAL228C
• C-H: ARG171C, ARG88H, ASN205C, ASP268C, ASP86H, GLY53H, ILE85H, LEU83H, LYS163C, LYS164C, LYS269C, PRO84H, VAL54H
• D-F: ALA69F, ARG168F, ARG171F, ARG88D, ASN205F, ASN82D, ASP209F, ASP68F, ASP86D, CYS64F, GLN66F, GLN87D, GLU153D, GLU165F, GLU167F, GLU201F, GLU38F, GLU65F, GLY151D, GLY53D, ILE49D, ILE85D, LEU150D, LEU63F, LEU83D, LYS152D, LYS163F, LYS164F, LYS208F, LYS269F, LYS5F, PHE101F, PHE271F, PRO84D, SER67F, THR162F, THR3F, TYR4F, TYR52D, VAL202F, VAL206F, VAL54D
• D-G: ALA177G, ALA281D, ALA325G, ALA335D, ARG178G, ARG180G, ASN288D, ASN318G, ASN340D, ASN34G, ASN357G, ASN82D, ASP212G, ASP235G, ASP283D, ASP315G, ASP81D, GLN311G, GLN314G, GLN326G, GLU175G, GLU310G, GLU317G, GLU343D, HIS286D, ILE179G, ILE213G, ILE284D, ILE289D, LEU17D, LEU258D, LEU287D, LEU322G, LYS181G, LYS182G, LYS183G, LYS304G, LYS308G, LYS331D, PRO121D, PRO282D, PRO78D, SER176G, SER321G, THR341D, TYR338D
• E-G: ALA42E, ALA42G, ALA47E, ALA47G, ALA51E, ALA51G, ALA7G, ASN40E, ASN40G, ASP50E, ASP50G, ASP58E, ASP58G, CYS64G, GLN66E, GLN66G, GLU38E, GLU38G, GLU41E, GLU41G, GLU59E, GLU59G, GLY46E, GLY53E, GLY53G, ILE49E, LEU39E, LEU39G, LEU56E, LEU56G, LEU61E, LEU61G, LEU63E, LEU63G, LEU9G, LYS43E, LYS43G, LYS5G, LYS62E, LYS62G, LYS79E, PHE37G, SER48E, SER48G, SER57E, SER57G, SER67G, THR3G, THR60E, THR60G, TRP80E, TYR52E, TYR52G, VAL54E, VAL54G, VAL8G
• F-G: ASN334G, ASP149F, GLN148F, GLY146F, HIS118G, LEU150F, LYS147F, LYS336G, TYR156F
• F-H: ALA42F, ALA42H, ALA47F, ALA47H, ALA51F, ALA51H, ASN40F, ASN40H, ASP50F, ASP50H, ASP58F, ASP58H, CYS64F, CYS64H, GLN66F, GLN66H, GLU38F, GLU38H, GLU41F, GLU41H, GLU59F, GLU59H, GLY53F, GLY53H, ILE49F, ILE49H, LEU39F, LEU39H, LEU56F, LEU56H, LEU61F, LEU61H, LEU63F, LEU63H, LEU9F, LYS20F, LYS20H, LYS43F, LYS43H, LYS5F, LYS5H, LYS62F, LYS62H, LYS79F, LYS79H, SER48F, SER48H, SER57F, SER57H, SER67F, THR3F, THR60F, THR60H, TYR52F, TYR52H, VAL54F, VAL54H, VAL8F