3MEN

crystal structure of acetylpolyamine aminohydrolase from burkholderia pseudomallei, iodide soak

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 153
  • Norm. En. per Res.: -4.9626
• 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	-109.6401	-134.8037	-514.832	-759.2759	153	22	28	19852	7	44	32
A-C	0.0	8.4086	-0.0555	8.3532	12	0	0	8	0	6	10
A-D	-12.4355	-22.9365	-113.511	-148.883	70	5	2	5406	1	54	45
B-C	-4.2083	-20.6808	-117.019	-141.9081	68	5	2	5488	0	56	47
B-D	0.0	0.0	-0.0243	-0.0243	4	0	0	16	0	0	1
C-D	-113.4633	-117.7178	-495.062	-726.2431	153	24	28	19513	7	46	30

Interface residues

• A-B: ALA105A, ALA105B, ALA107A, ALA107B, ALA108A, ALA108B, ALA112A, ALA112B, ALA162A, ALA162B, ALA163A, ALA163B, ALA224A, ALA224B, ALA226A, ALA226B, ALA79A, ALA79B, ALA88A, ALA88B, ALA99A, ALA99B, ARG101A, ARG101B, ARG109A, ARG109B, ARG159A, ARG159B, ARG20A, ARG20B, ARG22A, ARG22B, ARG24A, ARG24B, ARG95A, ARG95B, ASN220A, ASN220B, ASN91A, ASN91B, ASN98A, ASN98B, ASP113A, ASP113B, ASP217A, ASP217B, ASP229A, ASP229B, ASP230A, ASP230B, ASP83A, ASP83B, ASP86A, ASP86B, CYS116A, CYS116B, GLN106A, GLN106B, GLN197A, GLN197B, GLN200A, GLN200B, GLN290B, GLU201A, GLU201B, GLU231A, GLU231B, GLU76A, GLU76B, GLU82A, GLU82B, GLU87A, GLU87B, GLU96A, GLU96B, GLY102A, GLY102B, GLY114A, GLY114B, GLY164A, GLY164B, GLY165A, GLY165B, GLY21A, GLY21B, GLY227A, GLY227B, GLY85A, GLY85B, HIS110A, HIS110B, HIS248A, HIS248B, ILE92A, ILE92B, LEU100A, LEU100B, LEU104A, LEU104B, LEU111A, LEU111B, MET23A, MET23B, MET80A, MET80B, MET89A, MET89B, PHE18A, PHE18B, PHE221A, PHE221B, PHE228A, PHE228B, PHE93A, PHE93B, PRO117A, PRO117B, PRO218A, PRO218B, PRO223A, PRO223B, PRO245A, PRO245B, PRO81A, PRO81B, PRO97A, PRO97B, SER115A, SER115B, SER19A, SER19B, SER90A, SER90B, THR16A, THR16B, THR219A, THR219B, TRP77A, TRP77B, TRP84A, TRP84B, TYR17A, TYR17B, TYR204A, TYR204B, TYR222A, TYR222B, VAL103A, VAL103B, VAL225A, VAL225B, VAL94A, VAL94B
• A-C: ALA234A, ALA234C, ARG207A, ARG207C, ASP230A, ASP230C, GLU96A, GLU96C, LEU238A, LEU238C, PRO97A, PRO97C
• A-D: ALA184A, ALA205D, ALA234D, ALA270A, ALA56D, ALA59D, ALA60D, ALA99D, ARG101D, ARG109D, ARG180D, ARG185A, ARG206D, ARG207A, ARG207D, ARG232A, ARG258A, ARG264A, ARG267A, ARG268A, ARG95D, ASN243A, ASN98D, ASP161D, ASP208D, ASP229A, ASP230A, ASP260A, ASP261A, ASP272A, ASP63D, GLN177D, GLN200D, GLU201D, GLU236D, GLU257A, GLU265A, GLU96D, GLY233D, GLY235D, GLY237D, GLY239A, HIS110D, HIS62D, HIS65D, ILE202D, ILE55D, ILE58D, LEU100D, LEU238A, LEU238D, LEU244A, LEU263A, LEU266A, LEU67D, PHE203D, PHE228A, PHE269A, PRO245A, PRO271A, PRO57D, PRO97D, THR64D, TYR204D, TYR240A, TYR66D, VAL160D, VAL242A, VAL61D, VAL94D
• B-C: ALA184C, ALA205B, ALA234B, ALA270C, ALA56B, ALA59B, ALA60B, ALA99B, ARG101B, ARG109B, ARG180B, ARG185C, ARG206B, ARG207B, ARG207C, ARG232C, ARG258C, ARG264C, ARG267C, ARG268C, ARG95B, ASN243C, ASN98B, ASP161B, ASP208B, ASP229C, ASP230C, ASP260C, ASP261C, ASP272C, ASP63B, GLN177B, GLU201B, GLU236B, GLU257C, GLU265C, GLU96B, GLY233B, GLY235B, GLY237B, GLY239C, HIS110B, HIS62B, HIS65B, ILE202B, ILE55B, ILE58B, LEU100B, LEU238B, LEU238C, LEU244C, LEU263C, LEU266C, LEU67B, PHE203B, PHE269C, PRO245C, PRO271C, PRO57B, PRO97B, THR64B, TYR204B, TYR240C, TYR66B, VAL160B, VAL242C, VAL61B, VAL94B
• B-D: ALA99B, ALA99D, ARG101B, ARG101D
• C-D: ALA105C, ALA105D, ALA107C, ALA107D, ALA108C, ALA108D, ALA112C, ALA112D, ALA162C, ALA162D, ALA163C, ALA163D, ALA224C, ALA224D, ALA226C, ALA226D, ALA79C, ALA79D, ALA88C, ALA88D, ALA99C, ALA99D, ARG101C, ARG101D, ARG109C, ARG109D, ARG159C, ARG159D, ARG20C, ARG20D, ARG22C, ARG22D, ARG24C, ARG24D, ARG95C, ARG95D, ASN220C, ASN220D, ASN91C, ASN91D, ASN98C, ASN98D, ASP113C, ASP113D, ASP217C, ASP217D, ASP229C, ASP229D, ASP230C, ASP230D, ASP83C, ASP83D, ASP86C, ASP86D, CYS116C, CYS116D, GLN106C, GLN106D, GLN197C, GLN197D, GLN200C, GLN200D, GLN290D, GLU201C, GLU201D, GLU231C, GLU231D, GLU76C, GLU76D, GLU82C, GLU82D, GLU87C, GLU87D, GLU96C, GLU96D, GLY102C, GLY102D, GLY114C, GLY114D, GLY164C, GLY164D, GLY165C, GLY165D, GLY21C, GLY21D, GLY227C, GLY227D, GLY85C, GLY85D, HIS110C, HIS110D, HIS248C, HIS248D, ILE92C, ILE92D, LEU100C, LEU100D, LEU104C, LEU104D, LEU111C, LEU111D, MET23C, MET23D, MET80C, MET80D, MET89C, MET89D, PHE18C, PHE18D, PHE221C, PHE221D, PHE228C, PHE228D, PHE93C, PHE93D, PRO117C, PRO117D, PRO218C, PRO218D, PRO223C, PRO223D, PRO245C, PRO245D, PRO81C, PRO81D, PRO97C, PRO97D, SER115C, SER115D, SER19C, SER19D, SER90C, SER90D, THR16C, THR16D, THR219C, THR219D, TRP77C, TRP77D, TRP84C, TRP84D, TYR17C, TYR17D, TYR204C, TYR204D, TYR222C, TYR222D, VAL103C, VAL103D, VAL225C, VAL225D, VAL94C, VAL94D