3OFU

crystal structure of cytochrome p450 cyp101c1

• Total interactions analyzed: 15
• Total true interactions: 10
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 58
  • Norm. En. per Res.: -3.2804
• Hub Node: B(4)

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	-16.2211	-33.8689	-140.171	-190.261	58	9	4	5510	3	45	48
A-F	-13.4641	-51.8529	-133.604	-198.921	109	16	1	7490	2	110	64
B-C	0.0	-7.1438	-17.8951	-25.0389	46	1	0	1308	0	17	20
B-D	-28.2563	-38.8893	-85.3119	-152.4575	66	6	0	4368	4	27	28
B-E	0.0	6.1785	-15.0863	-8.9078	13	0	0	746	0	4	4
B-F	-14.4941	-8.3641	-40.4205	-63.2787	52	5	1	2359	0	24	10
C-D	0.0	-1.767	-34.4869	-36.2539	36	0	1	1710	0	14	17
C-E	-14.6799	-30.5019	-74.9967	-120.1785	58	4	1	3470	4	38	33
D-E	-39.1639	-19.7316	-15.6075	-74.503	43	7	0	1753	1	26	25
D-F	0.0	6.954	-19.0039	-12.0499	16	0	0	839	0	4	4

Interface residues

• A-B: ALA269A, ALA269B, ALA270A, ALA270B, ARG258A, ARG258B, ARG263A, ARG263B, ARG325A, ARG325B, ARG328A, ARG328B, ARG352A, ARG352B, ARG360A, ARG360B, ASP256A, ASP256B, ASP265A, ASP265B, ASP327A, ASP327B, GLN257A, GLU255A, GLU255B, GLU262A, GLU262B, GLU273A, GLU273B, GLU323A, GLU323B, GLY329A, GLY329B, HIS249A, HIS249B, HIS253A, HIS253B, ILE267A, ILE267B, ILE356A, ILE356B, LEU259A, LEU259B, LEU260A, LEU260B, LEU266A, LEU266B, LEU274A, LEU274B, PHE326A, PHE326B, PRO254A, PRO264A, PRO264B, PRO268A, PRO268B, VAL324A, VAL324B
• A-F: ALA287F, ALA289A, ALA289F, ALA293A, ALA293F, ALA316A, ALA316F, ALA331A, ALA331F, ALA342A, ALA342F, ALA348A, ALA64A, ALA64F, ALA92A, ALA92F, ARG10A, ARG10F, ARG334A, ARG334F, ARG344A, ARG344F, ARG53A, ARG53F, ARG58A, ARG58F, ARG66A, ARG66F, ARG98A, ARG98F, ASP290A, ASP290F, ASP292A, ASP292F, ASP294A, ASP294F, ASP314A, ASP314F, ASP55A, ASP55F, ASP63A, ASP63F, ASP90A, ASP90F, GLN89A, GLU319A, GLU319F, GLU59A, GLU59F, GLU65A, GLU65F, GLU93F, GLY295A, GLY295F, GLY329A, GLY341A, GLY341F, GLY36F, GLY38A, GLY38F, GLY54A, GLY54F, GLY62A, GLY62F, GLY91A, GLY91F, HIS311A, HIS311F, HIS343A, HIS343F, HIS94A, HIS94F, ILE333A, ILE333F, LEU330A, LEU330F, LEU39A, LEU60A, LEU60F, LEU67A, LYS300A, LYS300F, LYS95A, LYS95F, MET102A, MET102F, PHE318A, PHE318F, PRO332A, PRO332F, PRO37A, PRO37F, SER317A, SER317F, THR297A, THR297F, THR336A, THR99A, THR99F, VAL288A, VAL288F, VAL291A, VAL291F, VAL296A, VAL296F, VAL340A, VAL340F, VAL56A, VAL56F
• B-C: ALA376C, ALA389C, ARG162B, ARG164B, ARG172C, ASN18C, ASP135C, ASP174C, ASP188B, ASP374B, ASP374C, GLN165B, GLN169B, GLN24C, GLU126B, GLU195B, GLU23C, GLY167B, GLY175C, GLY21C, GLY381C, LEU166B, LEU390C, LYS123B, LYS375C, LYS380C, MET177B, MET1C, MET379C, PHE17C, PRO130B, PRO161B, PRO173C, PRO192B, PRO391C, SER127B, SER138C, SER176C, THR178C, THR378C, THR388C, TRP191B, VAL137C, VAL168B, VAL22C, VAL377C
• B-D: ALA185B, ALA186B, ALA199B, ALA287D, ALA289D, ALA4D, ARG217B, ARG225B, ARG226B, ARG229B, ARG299D, ASN286D, ASN45D, ASP187B, ASP188B, ASP222B, ASP290D, ASP302D, GLN184B, GLN200B, GLN70D, GLN83B, GLN83D, GLN89B, GLU180B, GLU195B, GLU223B, GLU93B, GLY301D, GLY46D, GLY47D, GLY77D, HIS48D, HIS5D, ILE194B, ILE298D, ILE2D, ILE85B, LEU190B, LEU303D, LYS183B, LYS300D, LYS80B, LYS80D, MET198B, MET1D, PHE97B, PRO192B, PRO201B, PRO218B, PRO3D, PRO76D, SER68D, THR220B, THR297D, THR43D, THR75D, TRP191B, TRP219B, TRP41D, TRP49D, TYR189B, VAL221B, VAL288D, VAL6D, VAL81B
• B-E: ALA372E, ALA376E, ASP374E, GLN181B, GLN184B, GLU180B, LEU182B, LYS183B, LYS375E, PRO373E, SER176B, THR178B, VAL179B
• B-F: ALA106B, ALA28F, ALA29F, ALA331B, ALA8F, ARG108B, ARG10F, ARG208B, ARG334B, ARG344B, ARG58B, ASP13F, ASP25F, ASP314F, ASP35F, ASP9F, GLN24F, GLU212B, GLU23F, GLU322F, GLY216B, GLY21F, GLY36F, ILE333B, LEU313F, LEU33F, LEU34F, LYS103B, LYS31F, LYS95B, MET102B, PHE109B, PHE27F, PRO100B, PRO19F, PRO20F, PRO213B, PRO315F, PRO321F, PRO332B, PRO37F, PRO7F, SER107B, SER211B, THR32F, THR99B, TRP30F, VAL110B, VAL111B, VAL11F, VAL12F, VAL22F
• C-D: ALA289D, ALA342D, ALA370C, ALA372C, ALA396C, ALA64D, ALA92D, ALA96D, ARG129C, ARG131C, ARG395C, ARG66D, ASP290D, ASP374C, ASP63D, ASP90D, GLU65D, GLU93D, GLY132C, GLY215D, GLY341D, GLY62D, GLY91D, LEU128C, LEU371C, LYS300D, LYS375C, LYS95D, PRO130C, PRO367C, PRO373C, SER133C, TRP394C, VAL288D, VAL291D, VAL393C
• C-E: ALA251C, ALA316C, ALA320C, ALA370C, ALA372C, ALA396E, ARG122E, ARG129E, ARG131E, ARG160E, ARG162E, ARG164E, ARG252C, ARG258C, ARG325C, ARG328C, ARG395E, ASN147E, ASP159E, ASP256C, ASP25C, ASP314C, ASP327C, ASP374C, GLN165E, GLN257C, GLU126E, GLU158E, GLU255C, GLU319C, GLU322C, GLU323C, GLY132E, GLY365E, HIS249C, HIS253C, LEU124E, LEU128E, LEU157E, LEU163E, LEU248C, LEU371C, LYS123E, LYS31C, LYS375C, MET125E, PHE318C, PRO130E, PRO161E, PRO254C, PRO315C, PRO321C, PRO373C, SER127E, SER133E, TYR278C, VAL324C, VAL377C
• D-E: ALA251E, ALA287D, ALA289D, ALA293D, ALA370E, ARG10D, ARG252E, ARG258E, ARG299D, ARG395E, ARG53D, ARG58D, ARG66D, ASP290D, ASP292D, ASP294D, ASP55D, ASP63D, GLN257E, GLU255E, GLU262E, GLU368E, GLU59D, GLU65D, GLY295D, HIS253E, ILE298D, LEU259E, LEU371E, LEU60D, LEU67D, LYS300D, PHE369E, PRO254E, PRO367E, PRO373E, THR297D, TRP394E, VAL288D, VAL291D, VAL296D, VAL393E, VAL56D
• D-F: ALA372F, ALA376F, ARG395F, ASP188D, ASP374F, GLN181D, GLN184D, GLU180D, LEU182D, LYS183D, LYS375F, MET177D, PRO373F, THR178D, VAL179D, VAL81D