3E6Y

structure of 14-3-3 in complex with the differentiation-inducing agent cotylenin a

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 104
  • Norm. En. per Res.: -2.8211
• 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	-23.2548	-25.7776	-244.362	-293.3945	104	8	11	10632	9	46	46
A-C	-28.794	0.0	-83.6032	-112.3972	43	11	4	3359	0	0	0
B-D	-23.5891	0.0	-84.222	-107.8111	43	6	5	3259	0	0	0

Interface residues

• A-B: ALA15A, ALA15B, ALA18A, ALA18B, ALA21A, ALA21B, ALA4B, ALA61A, ALA61B, ALA64A, ALA64B, ARG23A, ARG23B, ARG62A, ARG62B, ARG67A, ARG67B, ARG89A, ARG89B, ARG92A, ARG92B, ASN11B, ASN81A, ASN81B, ASN86A, ASN86B, ASN97A, ASN97B, GLN20A, GLN20B, GLU10A, GLU10B, GLU19A, GLU19B, GLU22A, GLU22B, GLU25A, GLU25B, GLU26A, GLU26B, GLU29A, GLU29B, GLU73A, GLU73B, GLU76A, GLU76B, GLU83A, GLU83B, GLU90A, GLU90B, GLU96A, GLU96B, GLU98A, GLU98B, GLU9A, GLU9B, HIS84A, HIS84B, ILE102A, ILE102B, ILE68A, ILE68B, ILE69A, ILE69B, ILE72A, ILE72B, ILE88A, ILE88B, ILE95A, ILE95B, LEU17A, LEU17B, LEU99A, LEU99B, LYS16A, LYS16B, LYS33A, LYS75A, LYS94A, LYS94B, MET14A, MET14B, MET27A, MET27B, PHE30A, PHE30B, PRO5A, PRO5B, SER65A, SER65B, SER70A, SER71B, SER87A, SER87B, TRP66A, TRP66B, TYR13A, TYR13B, TYR24A, TYR24B, TYR91A, TYR91B, VAL85A, VAL85B
• A-C: ALA180A, ALA197A, ARG136A, ARG231A, ARG63A, ARG67A, ASN182A, ASN233A, ASP133A, ASP222A, ASP232A, GLN1C, GLN228A, GLU140A, GLU189A, GLY178A, ILE175A, ILE226A, LEU177A, LEU179A, LEU181A, LEU225A, LEU229A, LEU230A, LEU234A, LEU236A, LYS129A, LYS56A, MET130A, PHE186A, PRO174A, SER184A, SER2C, SER52A, THR235A, TRP237A, TYR137A, TYR158A, TYR188A, TYR3C, VAL185A, VAL53A, VAL5C
• B-D: ALA180B, ARG136B, ARG231B, ARG63B, ARG67B, ASN182B, ASN233B, ASP133B, ASP222B, ASP232B, ASP240B, GLN1D, GLN228B, GLU140B, GLU189B, GLY178B, ILE175B, ILE226B, LEU177B, LEU179B, LEU181B, LEU225B, LEU229B, LEU230B, LEU234B, LEU236B, LYS129B, LYS56B, MET227B, PHE183B, PHE186B, PRO174B, SER184B, SER223B, SER2D, SER52B, TRP237B, TYR137B, TYR188B, TYR3D, VAL185B, VAL53B, VAL5D