3BQB

hexagonal kristal form of 2-keto-3-deoxyarabinonate dehydratase

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: X-Y
  • Int. Res.: 57
  • Norm. En. per Res.: -5.5552
• Hub Node: A(2)

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-X	-142.839	-127.0406	-538.89	-808.7696	163	21	12	22166	14	55	51
A-Z	-68.7041	-73.5947	-168.397	-310.6957	58	9	1	6501	9	36	28
X-Y	-38.5931	-113.1336	-164.918	-316.6446	57	5	1	6221	12	37	27
Z-Y	-129.4767	-127.5679	-528.971	-786.0156	162	17	12	21831	14	51	49

Interface residues

• A-X: ALA110A, ALA110X, ALA119A, ALA119X, ALA132A, ALA132X, ALA167A, ALA167X, ALA172A, ALA172X, ALA185A, ALA185X, ALA96A, ALA96X, ARG112A, ARG112X, ARG123A, ARG123X, ARG134A, ARG134X, ARG231A, ARG231X, ARG242A, ARG242X, ARG289A, ARG289X, ARG290A, ARG290X, ASN122A, ASN122X, ASN174A, ASN174X, ASN244A, ASN244X, ASN94A, ASN94X, ASP109A, ASP109X, ASP136A, ASP136X, ASP169A, ASP169X, ASP243A, ASP243X, CYS187A, CYS187X, GLN180A, GLN180X, GLN236X, GLN238A, GLN238X, GLU105A, GLU105X, GLU114A, GLU114X, GLU138A, GLU138X, GLU171A, GLU171X, GLU173A, GLU173X, GLU75A, GLU75X, GLU92X, GLU93X, GLY100A, GLY100X, GLY186A, GLY186X, GLY78A, GLY78X, GLY80A, GLY80X, ILE103A, ILE103X, ILE115A, ILE115X, ILE183A, ILE183X, ILE241A, ILE241X, ILE246A, ILE246X, ILE81A, ILE81X, ILE98A, ILE98X, LEU170A, LEU170X, LEU176A, LEU176X, LEU178A, LEU178X, LEU240A, LEU240X, LEU99A, LEU99X, LYS101A, LYS101X, LYS106A, LYS106X, LYS118A, LYS118X, LYS182A, LYS182X, LYS288A, LYS288X, LYS291A, LYS291X, LYS97A, LYS97X, PHE116A, PHE116X, PHE117A, PHE117X, PRO113A, PRO113X, PRO121A, PRO121X, PRO175A, PRO175X, PRO179A, PRO179X, PRO245A, PRO245X, PRO247A, PRO247X, PRO74A, PRO74X, SER135A, SER135X, SER137A, SER137X, SER181A, SER181X, SER79A, SER79X, THR102A, THR102X, THR120A, THR120X, THR250A, THR250X, TRP77A, TRP77X, TYR104A, TYR104X, TYR108A, TYR108X, TYR177A, TYR177X, TYR184A, TYR184X, TYR239A, TYR239X, VAL107A, VAL107X, VAL111A, VAL111X, VAL133A, VAL133X, VAL95A, VAL95X
• A-Z: ARG25A, ARG25Z, ARG36A, ARG36Z, ARG47A, ARG47Z, ARG9A, ARG9Z, ASN40A, ASN40Z, ASP27A, ASP27Z, ASP46A, ASP46Z, ASP64A, ASP64Z, GLU28A, GLU28Z, GLU42A, GLU42Z, GLY45A, GLY45Z, GLY50A, GLY50Z, ILE13A, ILE13Z, ILE23A, ILE23Z, ILE24A, ILE24Z, ILE51A, ILE51Z, ILE65A, ILE65Z, LEU26A, LEU26Z, LEU44A, LEU44Z, LYS32A, LYS32Z, LYS8A, LYS8Z, SER14A, THR22A, THR22Z, THR49A, THR49Z, TYR11A, TYR11Z, TYR12Z, TYR15A, TYR15Z, VAL43A, VAL43Z, VAL48A, VAL48Z, VAL6A, VAL6Z
• X-Y: ARG25X, ARG25Y, ARG36X, ARG36Y, ARG47X, ARG47Y, ARG9X, ARG9Y, ASN40Y, ASP27X, ASP27Y, ASP46X, ASP46Y, ASP64X, ASP64Y, GLU28X, GLU28Y, GLU42X, GLU42Y, GLY45X, GLY45Y, GLY50X, GLY50Y, ILE13X, ILE13Y, ILE23X, ILE23Y, ILE24X, ILE24Y, ILE51X, ILE51Y, ILE65X, ILE65Y, LEU26X, LEU26Y, LEU44X, LEU44Y, LYS32X, LYS8X, LYS8Y, SER14X, SER14Y, THR22X, THR22Y, THR49X, THR49Y, TYR11X, TYR11Y, TYR12X, TYR15X, TYR15Y, VAL43X, VAL43Y, VAL48X, VAL48Y, VAL6X, VAL6Y
• Z-Y: ALA110Y, ALA110Z, ALA119Y, ALA119Z, ALA132Y, ALA132Z, ALA167Y, ALA167Z, ALA172Y, ALA172Z, ALA185Y, ALA185Z, ALA96Y, ALA96Z, ARG112Y, ARG112Z, ARG123Y, ARG123Z, ARG134Y, ARG134Z, ARG231Y, ARG231Z, ARG242Y, ARG242Z, ARG289Y, ARG289Z, ARG290Y, ARG290Z, ASN122Y, ASN122Z, ASN174Y, ASN174Z, ASN244Y, ASN244Z, ASN94Y, ASN94Z, ASP109Y, ASP109Z, ASP136Y, ASP136Z, ASP169Y, ASP169Z, ASP243Y, ASP243Z, CYS187Y, CYS187Z, GLN180Y, GLN180Z, GLN236Y, GLN236Z, GLN238Y, GLN238Z, GLU105Y, GLU105Z, GLU114Y, GLU114Z, GLU138Y, GLU138Z, GLU171Y, GLU171Z, GLU173Y, GLU173Z, GLU75Y, GLU75Z, GLY100Y, GLY100Z, GLY186Y, GLY186Z, GLY78Y, GLY78Z, GLY80Y, GLY80Z, ILE103Y, ILE103Z, ILE115Y, ILE115Z, ILE183Y, ILE183Z, ILE241Y, ILE241Z, ILE246Y, ILE246Z, ILE81Y, ILE81Z, ILE98Y, ILE98Z, LEU170Y, LEU170Z, LEU176Y, LEU176Z, LEU178Y, LEU178Z, LEU240Y, LEU240Z, LEU99Y, LEU99Z, LYS101Y, LYS101Z, LYS106Y, LYS106Z, LYS118Y, LYS118Z, LYS182Y, LYS182Z, LYS288Y, LYS288Z, LYS291Y, LYS291Z, LYS97Y, LYS97Z, PHE116Y, PHE116Z, PHE117Y, PHE117Z, PRO113Y, PRO113Z, PRO121Y, PRO121Z, PRO175Y, PRO175Z, PRO179Y, PRO179Z, PRO245Y, PRO245Z, PRO247Y, PRO247Z, PRO74Y, PRO74Z, SER135Y, SER135Z, SER137Y, SER137Z, SER181Y, SER181Z, SER79Y, SER79Z, THR102Y, THR102Z, THR120Y, THR120Z, THR250Y, THR250Z, TRP77Y, TRP77Z, TYR104Y, TYR104Z, TYR108Y, TYR108Z, TYR177Y, TYR177Z, TYR184Y, TYR184Z, TYR239Y, TYR239Z, VAL107Y, VAL107Z, VAL111Y, VAL111Z, VAL133Y, VAL133Z, VAL95Y, VAL95Z