3VBM

crystal structure of the s84t mutant of antd, an n-acyltransferase from bacillus cereus in complex with dtdp and coenzyme a

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-E
  • Int. Res.: 165
  • Norm. En. per Res.: -3.1673
• 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-C	-58.5213	16.6331	-452.705	-494.5932	157	16	18	17096	0	21	25
A-E	-68.455	12.0136	-466.162	-522.6034	165	19	18	17612	0	22	25
C-E	-50.3593	13.665	-419.269	-455.9634	149	17	18	16255	0	21	20

Interface residues

• A-C: ALA100C, ALA128A, ALA128C, ALA143A, ALA146A, ALA146C, ALA170A, ALA28C, ALA63A, ALA63C, ALA64A, ALA64C, ALA67C, ALA81A, ARG171A, ARG173A, ARG43A, ARG86A, ARG86C, ASN112C, ASN180A, ASN21A, ASN2A, ASN32C, ASN40A, ASN41A, ASN82A, ASN99C, ASP45A, ASP46A, ASP46C, ASP79A, ASP94C, ASP95C, CYS48A, CYS48C, GLN109C, GLU177A, GLU179A, GLU181A, GLU9C, GLY103C, GLY127A, GLY127C, GLY141A, GLY145A, GLY145C, GLY14C, GLY162A, GLY162C, GLY34C, GLY52C, GLY98C, HIS0A, HIS123A, HIS129A, HIS129C, HIS61A, ILE106C, ILE125A, ILE126A, ILE131C, ILE132C, ILE13C, ILE159A, ILE168A, ILE175A, ILE24C, ILE30C, ILE36C, ILE44A, ILE49C, ILE56A, ILE62A, ILE83A, ILE83C, ILE88C, ILE93C, LEU101C, LEU10C, LEU178A, LEU183A, LEU23A, LEU50C, LEU68C, LYS111C, LYS12C, LYS151C, LYS169A, LYS172A, LYS174A, LYS184A, LYS26A, LYS26C, LYS27A, LYS27C, MET102C, MET147A, MET147C, MET149C, MET186A, MET1A, PHE133C, PHE15C, PHE182A, PHE47A, PHE47C, PHE4A, PHE80A, PHE96C, PRO104C, PRO107C, PRO164C, PRO33C, SER130A, SER130C, SER148A, SER148C, SER185A, SER25A, SER25C, SER29C, SER3A, SER51C, SER58A, SER60A, SER85A, SER85C, SER97C, THR105C, THR66C, THR84A, THR84C, THR87A, THR87C, TRP157A, TYR110C, TYR160A, TYR31C, TYR59A, TYR5C, TYR65A, TYR65C, TYR69C, TYR90C, VAL124A, VAL142A, VAL144A, VAL150C, VAL161A, VAL163A, VAL163C, VAL165C, VAL176A, VAL22A, VAL42A, VAL89C
• A-E: ALA100A, ALA128A, ALA128E, ALA143E, ALA146A, ALA146E, ALA170E, ALA28A, ALA63A, ALA63E, ALA64A, ALA64E, ALA67A, ALA81E, ARG166E, ARG171E, ARG173E, ARG43E, ARG86A, ARG86E, ASN-6E, ASN112A, ASN180E, ASN21E, ASN2E, ASN32A, ASN40E, ASN41E, ASN82E, ASN99A, ASP45A, ASP45E, ASP46A, ASP46E, ASP79E, ASP94A, ASP95A, CYS48A, CYS48E, GLN-2E, GLN109A, GLU177E, GLU179E, GLU181E, GLU9A, GLY-1E, GLY103A, GLY127A, GLY127E, GLY141E, GLY145A, GLY145E, GLY14A, GLY162A, GLY162E, GLY34A, GLY52A, GLY98A, HIS0E, HIS123E, HIS129A, HIS129E, HIS61E, ILE106A, ILE125E, ILE126E, ILE131A, ILE132A, ILE13A, ILE159E, ILE168E, ILE175E, ILE24A, ILE30A, ILE36A, ILE44E, ILE49A, ILE62E, ILE83A, ILE83E, ILE88A, ILE88E, ILE93A, LEU-5E, LEU101A, LEU10A, LEU178E, LEU183E, LEU23E, LEU50A, LEU68A, LYS111A, LYS12A, LYS151A, LYS169E, LYS172E, LYS174E, LYS184E, LYS26A, LYS26E, LYS27A, LYS27E, MET102A, MET147A, MET147E, MET149A, MET186E, MET1E, PHE133A, PHE15A, PHE182E, PHE47A, PHE47E, PHE4E, PHE80E, PHE96A, PRO104A, PRO107A, PRO164A, PRO33A, SER130A, SER130E, SER148A, SER148E, SER185E, SER25A, SER25E, SER29A, SER3E, SER51A, SER58E, SER60E, SER85A, SER85E, SER97A, THR105A, THR66A, THR84A, THR84E, THR87A, THR87E, TRP157E, TYR-4E, TYR110A, TYR160E, TYR31A, TYR59E, TYR5A, TYR65A, TYR65E, TYR69A, TYR90A, VAL124E, VAL142E, VAL144E, VAL150A, VAL161E, VAL163A, VAL163E, VAL165A, VAL176E, VAL22E, VAL35A, VAL42E, VAL89A
• C-E: ALA100E, ALA128C, ALA128E, ALA143C, ALA146C, ALA146E, ALA170C, ALA28E, ALA63C, ALA63E, ALA64C, ALA64E, ALA67E, ALA81C, ARG166C, ARG171C, ARG173C, ARG43C, ARG86C, ARG86E, ASN112E, ASN180C, ASN21C, ASN2C, ASN32E, ASN40C, ASN41C, ASN82C, ASN99E, ASP45C, ASP46C, ASP46E, ASP79C, ASP94E, ASP95E, CYS48C, CYS48E, GLN109E, GLU177C, GLU179C, GLU181C, GLY103E, GLY127C, GLY127E, GLY141C, GLY145C, GLY145E, GLY162C, GLY162E, GLY34E, GLY98E, HIS123C, HIS129C, HIS129E, HIS61C, ILE106E, ILE125C, ILE126C, ILE131E, ILE132E, ILE13E, ILE159C, ILE168C, ILE175C, ILE30E, ILE49E, ILE62C, ILE83C, ILE83E, ILE88C, ILE88E, ILE93E, LEU101E, LEU178C, LEU183C, LEU23C, LEU50E, LEU68E, LYS111E, LYS151E, LYS169C, LYS172C, LYS174C, LYS184C, LYS26C, LYS26E, LYS27C, LYS27E, MET102E, MET147C, MET147E, MET149E, MET186C, MET1C, PHE133E, PHE182C, PHE47C, PHE47E, PHE4C, PHE80C, PHE96E, PRO104E, PRO107E, PRO164E, PRO33E, SER130C, SER130E, SER148C, SER148E, SER185C, SER25C, SER25E, SER29E, SER3C, SER51E, SER58C, SER60C, SER85C, SER85E, SER97E, THR105E, THR66C, THR66E, THR84C, THR84E, THR87C, THR87E, TRP157C, TYR110E, TYR160C, TYR31E, TYR59C, TYR5E, TYR65C, TYR65E, TYR69E, TYR90E, VAL124C, VAL142C, VAL144C, VAL150E, VAL161C, VAL163C, VAL163E, VAL165E, VAL176C, VAL22C, VAL42C, VAL89E