3BH2

structural studies of acetoacetate decarboxylase

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 56
  • Norm. En. per Res.: -4.217
• 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	-51.0759	-47.9223	-137.155	-236.1532	56	7	1	5340	2	22	19
A-C	-120.6828	-39.8347	-694.092	-854.6095	212	36	10	30235	7	58	54
A-D	-38.8878	-50.6053	-134.883	-224.3761	55	8	1	5252	2	23	20
B-C	-18.5264	0.1431	-106.023	-124.4063	50	4	1	3949	2	16	26
B-D	-34.3727	-45.2225	-134.914	-214.5091	53	5	1	5179	1	19	20

Interface residues

• A-B: ALA143B, ALA209A, ALA211A, ARG139A, ARG139B, ARG202B, ASN214A, ASP125B, ASP127B, ASP134A, ASP207A, ASP215A, GLN204A, GLN204B, GLU220B, GLY131B, GLY136A, GLY146B, GLY199B, HIS149B, HIS208A, ILE221B, ILE34B, LEU117A, LEU129B, LEU138A, LEU203B, LEU205A, LEU205B, LEU213A, LEU216A, LYS116A, LYS137A, LYS45A, MET145B, MET210A, MET95A, PHE123B, PHE206A, PHE206B, PHE32B, PRO200B, PRO212A, SER126B, THR128B, THR132B, THR142B, THR144B, THR201B, TYR119A, TYR135A, TYR147B, VAL124B, VAL130B, VAL140A, VAL218B
• A-C: ALA105A, ALA105C, ALA112A, ALA112C, ALA186A, ALA186C, ALA18A, ALA18C, ALA209A, ALA209C, ALA211A, ALA211C, ALA236A, ALA236C, ALA42A, ALA42C, ARG108A, ARG108C, ARG179A, ARG179C, ARG21A, ARG21C, ARG235A, ARG235C, ARG44A, ARG44C, ASN100A, ASN100C, ASN173A, ASN173C, ASN185A, ASN185C, ASP175A, ASP175C, ASP215A, ASP215C, ASP241A, ASP241C, ASP41A, ASP41C, ASP4A, ASP4C, ASP99A, ASP99C, CYS181A, CYS181C, GLN9A, GLN9C, GLU101A, GLU101C, GLU109A, GLU109C, GLU182A, GLU182C, GLU237A, GLU237C, GLU49A, GLU49C, GLU5A, GLU5C, GLY107A, GLY107C, GLY118A, GLY118C, GLY176A, GLY176C, GLY22A, GLY22C, GLY70A, GLY70C, GLY72C, HIS208A, HIS208C, HIS94A, HIS94C, ILE104A, ILE104C, ILE10A, ILE10C, ILE170A, ILE170C, ILE171A, ILE171C, ILE180A, ILE180C, ILE184A, ILE184C, ILE239A, ILE239C, ILE53A, ILE53C, ILE7A, ILE7C, ILE81A, ILE81C, LEU110A, LEU110C, LEU117A, LEU117C, LEU14A, LEU14C, LEU168A, LEU168C, LEU183A, LEU183C, LEU213A, LEU213C, LEU216A, LEU216C, LEU233A, LEU243A, LEU243C, LEU43A, LEU43C, LEU51A, LEU51C, LEU71A, LEU71C, LEU93A, LEU93C, LEU98A, LEU98C, LYS115A, LYS115C, LYS116A, LYS116C, LYS169A, LYS169C, LYS244A, LYS244C, LYS3A, LYS3C, LYS45A, LYS45C, LYS8A, LYS8C, MET167A, MET167C, MET1A, MET1C, MET210A, MET210C, MET95A, MET95C, MET96A, MET96C, PHE19A, PHE19C, PRO102A, PRO102C, PRO114A, PRO114C, PRO13A, PRO13C, PRO172A, PRO172C, PRO178A, PRO178C, PRO17A, PRO17C, PRO20A, PRO20C, PRO212A, PRO212C, PRO234A, PRO234C, PRO48A, PRO48C, PRO50A, PRO50C, SER111A, SER111C, SER11A, SER11C, SER16A, SER16C, SER177A, SER177C, THR12A, THR12C, THR15A, THR15C, TYR113A, TYR113C, TYR119A, TYR119C, TYR135A, TYR135C, TYR174A, TYR174C, TYR240A, TYR240C, TYR242A, TYR242C, TYR24A, TYR24C, TYR92A, TYR92C, TYR97A, TYR97C, VAL106A, VAL106C, VAL238A, VAL238C, VAL2A, VAL2C, VAL46A, VAL46C, VAL47A, VAL47C, VAL6A, VAL6C
• A-D: ALA143A, ALA209D, ALA211D, ARG139A, ARG139D, ARG202A, ASN214D, ASP125A, ASP127A, ASP134D, ASP207D, ASP215D, GLN204A, GLN204D, GLU220A, GLY131A, GLY136D, GLY146A, GLY199A, HIS149A, HIS208D, ILE221A, ILE34A, LEU117D, LEU129A, LEU138D, LEU203A, LEU205A, LEU205D, LEU213D, LYS116D, LYS137D, LYS45D, MET145A, MET210D, MET95D, PHE123A, PHE206A, PHE206D, PHE32A, PRO200A, PRO212D, SER126A, THR128A, THR132A, THR142A, THR144A, THR201A, TYR119D, TYR135D, TYR147A, VAL124A, VAL130A, VAL140D, VAL218A
• B-C: ALA103C, ALA151B, ALA18C, ARG202B, ARG21C, ASN100C, ASP125B, ASP127B, ASP67C, ASP99C, CYS73C, GLU101C, GLU195B, GLY146B, GLY199B, GLY22C, GLY70C, GLY72C, HIS149B, HIS226B, HIS27C, HIS66C, LEU117C, LEU129B, LEU228B, LEU71C, LYS148B, LYS150B, LYS25C, MET65C, PHE19C, PRO102C, PRO17C, PRO200B, PRO20C, PRO23C, SER126B, SER16C, SER69C, THR128B, THR15C, THR198B, THR68C, THR75C, TRP197B, TYR119C, TYR147B, TYR24C, TYR74C, VAL124B
• B-D: ALA143D, ALA209B, ALA211B, ARG139B, ARG139D, ARG202D, ASN214B, ASP125D, ASP127D, ASP134B, ASP207B, ASP215B, GLN204B, GLN204D, GLY131D, GLY136B, GLY146D, GLY199D, HIS149D, HIS208B, ILE221D, ILE34D, LEU117B, LEU129D, LEU138B, LEU203D, LEU205B, LEU205D, LEU213B, LYS116B, LYS137B, LYS45B, MET145D, MET210B, PHE123D, PHE206B, PHE206D, PHE32D, PRO200D, PRO212B, SER126D, THR128D, THR132D, THR142D, THR144D, THR201D, TYR119B, TYR135B, TYR147D, VAL124D, VAL130D, VAL140B, VAL218D