2IJ5

crystal structure of cytochrome p450 cyp121, p212121 space group

• Total interactions analyzed: 15
• Total true interactions: 4
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 60
  • Norm. En. per Res.: -1.0909
• 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	0.0	34.527	-60.5972	-26.0702	57	2	1	2474	0	15	24
A-D	-12.4839	6.0117	-29.2419	-35.7141	38	2	0	1268	0	14	14
C-F	0.0	13.0607	-58.015	-44.9543	47	3	3	2398	0	15	15
D-E	-6.7063	13.5331	-72.2805	-65.4536	60	4	1	3231	2	32	32

Interface residues

• A-B: ALA106A, ALA361A, ALA66B, ALA67B, ALA68B, ALA70B, ARG114A, ARG72B, ASN118A, ASN84B, ASN88B, ASP115A, ASP122A, ASP220B, GLN111A, GLU221B, GLU261A, GLU264A, GLU360A, GLU64B, GLU81B, GLY108A, GLY69B, HIS217B, HIS260A, ILE125A, LEU109A, LEU121A, LEU222B, LEU287B, LEU362A, LEU363A, LEU76B, LYS105A, LYS148A, LYS179B, LYS262A, LYS301B, LYS364A, LYS365A, LYS63B, MET366A, PHE112A, PRO107A, PRO174B, PRO263A, PRO367A, PRO79B, PRO80B, SER119A, SER216B, SER219B, THR116A, THR126A, THR200A, VAL218B, VAL82B
• A-D: ALA117D, ALA361D, ALA66A, ALA67A, ALA68A, ALA70A, ARG114D, ASN118D, ASN197D, ASP115D, ASP122D, ASP220A, ASP91A, GLN111D, GLU110D, GLU64A, GLU81A, GLY108D, GLY69A, HIS217A, ILE357D, LEU113D, LEU76A, LYS148D, LYS301A, LYS364D, LYS365D, LYS63A, PHE112D, PRO107D, PRO71A, PRO80A, SER119D, SER216A, SER219A, THR116D, THR199D, THR200D
• C-F: ALA290C, ALA372F, ALA3C, ARG256F, ARG300C, ARG35C, ASN257F, ASP291C, ASP296C, ASP370F, GLN254F, GLN293C, GLU261F, GLU303C, GLU41C, GLY295C, GLY368F, HIS260F, ILE250F, ILE292C, ILE375F, LEU258F, LEU259F, LEU298C, LEU363F, LEU371F, LEU395F, LEU6C, LYS262F, LYS301C, LYS33C, LYS364F, LYS365F, MET366F, PRO253F, PRO367F, PRO374F, THR4C, TRP396F, TRP43C, VAL294C, VAL297C, VAL299C, VAL369F, VAL373F, VAL394F, VAL5C
• D-E: ALA214E, ALA21D, ALA23D, ALA67E, ALA68E, ALA90E, ALA92E, ARG252D, ARG26D, ARG275D, ARG28D, ARG329D, ARG32D, ARG58E, ARG59E, ARG95E, ASN321D, ASN88E, ASP20D, ASP212E, ASP296D, ASP91E, GLN342E, GLU221E, GLU24D, GLU29D, GLU317D, GLU326D, GLU64E, GLU81E, GLY323D, GLY93E, HIS217E, HIS343E, ILE18D, ILE325D, ILE89E, LEU222E, LEU25D, LEU6D, LEU7D, LYS301E, LYS33D, LYS63E, MET62E, PHE314D, PRO213E, PRO316D, PRO320D, PRO322D, SER216E, SER219E, SER324D, SER61E, THR27D, THR289E, TRP43D, TYR215E, VAL218E, VAL83E