2PWZ

crystal structure of the apo form of e.coli malate dehydrogenase

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 174
  • Norm. En. per Res.: -3.5708
• 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-C	-96.1349	-32.9238	-492.264	-621.3227	174	14	14	19464	3	24	25
A-E	-9.902	-12.2631	-47.6521	-69.8173	34	4	0	1908	1	9	9
A-G	0.0	0.0	-24.0307	-24.0307	29	7	0	1255	0	2	2
C-G	-12.1796	0.0442	-47.7063	-59.8417	33	2	0	1805	0	9	9
E-G	-89.5021	-32.8496	-492.91	-615.2617	175	17	14	19448	4	23	26

Interface residues

• A-C: ALA159A, ALA159C, ALA15A, ALA15C, ALA17A, ALA17C, ALA209A, ALA209C, ALA216A, ALA216C, ALA218A, ALA218C, ALA223A, ALA223C, ALA230A, ALA230C, ALA232A, ALA232C, ALA36A, ALA36C, ALA43A, ALA43C, ALA52A, ALA52C, ALA8A, ALA8C, ALA9A, ALA9C, ARG153A, ARG153C, ARG205A, ARG205C, ARG233A, ARG233C, ASN155A, ASN155C, ASN208A, ASN208C, ASP150A, ASP150C, ASP45A, ASP45C, GLN14A, GLN14C, GLN165A, GLN165C, GLN229A, GLN229C, GLN23A, GLN23C, GLU160A, GLU160C, GLU168A, GLU168C, GLU170A, GLU170C, GLU212A, GLU212C, GLU215A, GLU215C, GLY10A, GLY10C, GLY11A, GLY11C, GLY13A, GLY13C, GLY167A, GLY167C, GLY210A, GLY210C, GLY219A, GLY219C, GLY220A, GLY220C, GLY221A, GLY221C, GLY228A, GLY228C, GLY27A, GLY27C, GLY41A, GLY41C, GLY57A, GLY57C, HIS48A, HIS48C, ILE12A, ILE12C, ILE151A, ILE151C, ILE152A, ILE152C, ILE206A, ILE206C, ILE49A, ILE49C, ILE55A, ILE55C, LEU149A, LEU149C, LEU16A, LEU16C, LEU18A, LEU18C, LEU19A, LEU19C, LEU20C, LEU225A, LEU225C, LEU32A, LEU32C, LEU46A, LEU46C, LYS164A, LYS164C, LYS217A, LYS217C, LYS21A, LYS21C, LYS54A, LYS54C, MET227A, MET227C, PHE157A, PHE157C, PRO166A, PRO166C, PRO37A, PRO37C, PRO40A, PRO40C, PRO50A, PRO50C, SER154A, SER154C, SER222A, SER222C, SER226A, SER226C, SER26A, SER26C, SER47A, SER47C, SER59C, THR148A, THR148C, THR156A, THR156C, THR211A, THR211C, THR224A, THR224C, THR22A, THR22C, THR39A, THR39C, THR51A, THR51C, VAL158A, VAL158C, VAL169A, VAL169C, VAL213A, VAL213C, VAL214A, VAL214C, VAL38A, VAL38C, VAL42A, VAL42C, VAL44A, VAL44C, VAL53A, VAL53C
• A-E: ALA159E, ALA241A, ARG278A, ASN273A, GLN165E, GLN246A, GLN246E, GLU168E, GLU245A, GLU276A, GLU277A, GLY163E, GLY167E, GLY191A, GLY191E, GLY244A, GLY247A, GLY271A, GLY274A, LEU269A, LEU270A, LYS162E, LYS164E, LYS272A, LYS279A, PRO166E, PRO190A, PRO190E, SER280A, VAL169E, VAL189E, VAL192E, VAL248A, VAL249A
• A-G: ALA52A, ALA52G, GLN243A, GLN243G, GLN246A, GLN246G, GLU245A, GLU245G, GLY244A, GLY244G, GLY247A, GLY247G, GLY27A, GLY27G, LYS272A, LYS272G, LYS54A, LYS54G, PRO25A, PRO25G, PRO50A, PRO50G, SER26A, SER26G, SER28A, THR51A, THR51G, VAL53A, VAL53G
• C-G: ALA159C, ALA241G, ARG278G, ASN273G, GLN165C, GLN246C, GLN246G, GLU168C, GLU245G, GLU276G, GLU277G, GLY163C, GLY167C, GLY191C, GLY191G, GLY244G, GLY247G, GLY271G, GLY274G, LEU269G, LEU270G, LYS164C, LYS272G, LYS279G, PRO166C, PRO190C, PRO190G, SER280G, VAL169C, VAL192C, VAL248G, VAL249G, VAL275G
• E-G: ALA159E, ALA159G, ALA15E, ALA15G, ALA17E, ALA17G, ALA209E, ALA209G, ALA216E, ALA216G, ALA218E, ALA218G, ALA223E, ALA223G, ALA230E, ALA230G, ALA232E, ALA232G, ALA36G, ALA43E, ALA43G, ALA52E, ALA52G, ALA8E, ALA8G, ALA9E, ALA9G, ARG153E, ARG153G, ARG205E, ARG205G, ARG233E, ARG233G, ARG81G, ASN155E, ASN155G, ASN208E, ASN208G, ASP150E, ASP150G, ASP45E, ASP45G, GLN14E, GLN14G, GLN165E, GLN165G, GLN229E, GLN229G, GLN23E, GLN23G, GLU160E, GLU160G, GLU168E, GLU168G, GLU170E, GLU170G, GLU212E, GLU212G, GLU215E, GLU215G, GLY10E, GLY10G, GLY11E, GLY11G, GLY13E, GLY13G, GLY167E, GLY167G, GLY210E, GLY210G, GLY219E, GLY219G, GLY220E, GLY220G, GLY221E, GLY221G, GLY228E, GLY228G, GLY27E, GLY27G, GLY41E, GLY41G, GLY57E, GLY57G, HIS48E, HIS48G, ILE12E, ILE12G, ILE151E, ILE151G, ILE152E, ILE152G, ILE206E, ILE206G, ILE49E, ILE49G, ILE55E, ILE55G, LEU149E, LEU149G, LEU16E, LEU16G, LEU18E, LEU18G, LEU19E, LEU19G, LEU20G, LEU225E, LEU225G, LEU32E, LEU32G, LEU46E, LEU46G, LYS164E, LYS164G, LYS217E, LYS217G, LYS21E, LYS21G, LYS54E, MET227E, MET227G, PHE157E, PHE157G, PRO166E, PRO166G, PRO37E, PRO37G, PRO40E, PRO40G, PRO50E, PRO50G, SER154E, SER154G, SER222E, SER222G, SER226E, SER226G, SER26E, SER26G, SER47E, SER47G, SER59E, SER59G, THR148E, THR148G, THR156E, THR156G, THR211E, THR211G, THR224E, THR224G, THR22E, THR22G, THR39E, THR39G, THR51E, THR51G, VAL158E, VAL158G, VAL169E, VAL169G, VAL171E, VAL213E, VAL213G, VAL214E, VAL214G, VAL38E, VAL38G, VAL42E, VAL42G, VAL44E, VAL44G, VAL53E, VAL53G