2EJF

crystal structure of the biotin protein ligase (mutations r48a and k111a) and biotin carboxyl carrier protein complex from pyrococcus horikoshii ot3

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 95
  • Norm. En. per Res.: -5.5376
• 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-B	-111.652	-43.7635	-370.661	-526.0765	95	19	6	12672	2	20	9
A-C	-69.7781	-3.2005	-191.332	-264.3105	86	8	1	8496	2	26	27
B-D	-81.6428	-7.626	-270.193	-359.4618	90	15	2	11122	1	24	21

Interface residues

• A-B: ALA39A, ALA39B, ARG11A, ARG11B, ARG12A, ARG12B, ARG158A, ARG158B, ASP165A, ASP165B, ASP40A, ASP40B, GLN17A, GLN17B, GLU18A, GLU18B, GLU32A, GLU32B, GLU57A, GLU57B, GLY10A, GLY10B, GLY34A, GLY3A, GLY3B, GLY58A, GLY58B, GLY59A, GLY59B, ILE14A, ILE14B, ILE161A, ILE161B, ILE19A, ILE19B, ILE37A, ILE37B, ILE8A, ILE8B, ILE9A, ILE9B, LEU153A, LEU153B, LEU154A, LEU154B, LEU2A, LEU2B, LEU31A, LEU31B, LEU4A, LEU4B, LEU60A, LEU60B, LEU62A, LEU62B, LYS41A, LYS41B, LYS5A, LYS5B, MET1A, MET1B, PHE157A, PHE157B, PHE16A, PHE16B, PHE25A, PHE25B, PRO152A, SER155A, SER29A, SER29B, SER7A, SER7B, THR162A, THR162B, THR20B, THR35A, THR35B, THR43B, THR6A, THR6B, TRP61A, TRP61B, TYR15A, TYR15B, VAL132A, VAL132B, VAL13A, VAL13B, VAL156A, VAL156B, VAL36A, VAL36B, VAL38A, VAL38B
• A-C: ALA113C, ALA138C, ALA48A, ARG212A, ARG51A, ARG93C, ASN103A, ASN118C, ASN23A, ASN50A, ASP122A, ASP208A, ASP209A, ASP229A, ASP74A, GLN106C, GLN72A, GLU112C, GLU117C, GLU118A, GLU119C, GLU135C, GLU24A, GLY105C, GLY107C, GLY119A, GLY121A, GLY136C, GLY211A, GLY228A, GLY47A, GLY89C, HIS46A, ILE120C, ILE124A, ILE207A, ILE226A, ILE78A, LEU108C, LEU111C, LEU116A, LEU126A, LEU179A, LEU213A, LEU49A, LEU66A, LEU75A, LEU92C, LEU95C, LYS115C, LYS120A, LYS123A, LYS27A, LYS73A, LYS77A, LYS90C, MET114C, MET116C, MET186A, MET87C, PHE210A, PHE80A, PRO102A, PRO121C, PRO68A, PRO71A, PRO76A, PRO86C, PRO88C, SER122C, SER231A, THR141C, THR28A, TRP101A, TYR227A, VAL104C, VAL110C, VAL115A, VAL117A, VAL125A, VAL182A, VAL225A, VAL230A, VAL79A, VAL91C, VAL94C
• B-D: ALA113D, ALA138D, ALA48B, ALA85D, ARG103D, ARG212B, ARG51B, ARG93D, ASN103B, ASN118D, ASN23B, ASN50B, ASP104B, ASP122B, ASP140D, ASP208B, ASP209B, ASP229B, ASP74B, GLN106D, GLN72B, GLU112D, GLU117D, GLU118B, GLU119D, GLU137D, GLY105D, GLY107D, GLY119B, GLY121B, GLY136D, GLY142D, GLY211B, GLY228B, GLY47B, GLY89D, HIS46B, ILE120D, ILE124B, ILE207B, ILE226B, ILE78B, LEU108D, LEU109D, LEU111D, LEU116B, LEU126B, LEU179B, LEU195B, LEU213B, LEU49B, LEU75B, LEU92D, LEU95D, LYS100B, LYS115D, LYS120B, LYS123B, LYS27B, LYS73B, LYS77B, LYS90D, MET114D, MET116D, MET186B, MET87D, PHE210B, PHE80B, PRO102B, PRO121D, PRO68B, PRO71B, PRO76B, PRO86D, PRO88D, SER122D, THR141D, TRP101B, TYR227B, VAL104D, VAL110D, VAL115B, VAL117B, VAL125B, VAL139D, VAL182B, VAL225B, VAL230B, VAL79B, VAL91D