2DE7

the substrate-bound complex between oxygenase and ferredoxin in carbazole 1,9a-dioxygenase

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 131
  • Norm. En. per Res.: -5.136
• Hub Node: A(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	-98.9662	-126.1898	-447.664	-672.8199	131	21	12	17826	10	57	47
A-C	-106.2939	-130.0292	-433.28	-669.6031	131	20	11	17333	9	57	49
A-D	-15.0083	-38.2064	-176.802	-230.0167	67	8	2	6747	5	25	18
A-F	-56.7335	-25.7323	-83.8373	-166.3031	54	6	1	3312	2	11	15
B-C	-70.1907	-126.4768	-434.057	-630.7244	130	14	10	17310	10	57	47
B-D	-32.514	-4.2306	-63.5753	-100.3199	44	3	0	2352	3	7	12
B-E	-25.2063	-39.3227	-157.775	-222.304	62	5	2	6046	3	20	14
C-E	-40.7476	-50.9552	-79.6275	-171.3303	51	5	1	2989	3	11	15
C-F	-33.5027	-42.8022	-160.779	-237.084	59	6	2	6021	3	21	13

Interface residues

• A-B: ALA114B, ALA174A, ALA205A, ALA336A, ALA339A, ALA380B, ALA7A, ALA94B, ARG118B, ARG11A, ARG172A, ARG249A, ARG337A, ARG366A, ARG68B, ARG72B, ARG98B, ASN110B, ASN177A, ASN352A, ASN52B, ASP106B, ASP180A, ASP189A, ASP332A, ASP333A, ASP342A, ASP346A, ASP359A, CYS105B, CYS69B, CYS82B, CYS90B, GLN115B, GLN119B, GLN379B, GLN75B, GLU176A, GLU240A, GLU246A, GLU250A, GLU338A, GLU353A, GLU357A, GLU386B, GLU81B, GLY178A, GLY203A, GLY207A, GLY235A, GLY241A, GLY244A, GLY245A, GLY349A, GLY384B, GLY73B, HIS183A, HIS187A, HIS387B, HIS388B, HIS71B, HIS93B, ILE107B, ILE116B, ILE184A, ILE186A, ILE231A, ILE243A, ILE354A, ILE362A, ILE88B, ILE8A, LEU104B, LEU108B, LEU121B, LEU173A, LEU202A, LEU355A, LEU385B, LEU70B, LEU76B, LYS10A, LYS120B, LYS13A, LYS188A, LYS348A, LYS47B, LYS66B, LYS79B, LYS83B, LYS85B, MET340A, PHE204A, PHE239A, PHE343A, PHE356A, PRO111B, PRO181A, PRO201A, PRO206A, PRO237A, SER113B, SER182A, SER358A, SER383B, SER86B, THR109B, THR112B, THR242A, THR84B, THR87B, THR89B, THR96B, TRP335A, TRP350A, TRP91B, TRP95B, TYR185A, TYR18A, TYR344A, TYR92B, TYR97B, VAL236A, VAL238A, VAL247A, VAL248A, VAL341A, VAL351A, VAL382B, VAL74B, VAL78B
• A-C: ALA114A, ALA174C, ALA205C, ALA336C, ALA339C, ALA380A, ALA7C, ALA94A, ARG118A, ARG11C, ARG172C, ARG249C, ARG337C, ARG366C, ARG68A, ARG72A, ARG98A, ASN110A, ASN177C, ASN352C, ASN52A, ASP106A, ASP180C, ASP189C, ASP332C, ASP333C, ASP342C, ASP346C, ASP359C, CYS105A, CYS69A, CYS82A, CYS90A, GLN115A, GLN119A, GLN379A, GLN75A, GLU176C, GLU240C, GLU246C, GLU250C, GLU338C, GLU353C, GLU357C, GLU386A, GLU81A, GLY178C, GLY203C, GLY241C, GLY244C, GLY245C, GLY349C, GLY384A, GLY73A, HIS183C, HIS187C, HIS387A, HIS388A, HIS389A, HIS71A, HIS93A, ILE107A, ILE116A, ILE184C, ILE186C, ILE243C, ILE354C, ILE362C, ILE88A, ILE8C, LEU104A, LEU108A, LEU121A, LEU173C, LEU202C, LEU355C, LEU385A, LEU70A, LEU76A, LYS10C, LYS120A, LYS13C, LYS188C, LYS348C, LYS47A, LYS66A, LYS79A, LYS83A, LYS85A, MET340C, PHE179C, PHE204C, PHE239C, PHE343C, PHE356C, PRO111A, PRO181C, PRO201C, PRO206C, PRO237C, SER113A, SER182C, SER358C, SER383A, SER86A, THR109A, THR112A, THR242C, THR84A, THR87A, THR89A, THR96A, TRP335C, TRP350C, TRP91A, TRP95A, TYR185C, TYR18C, TYR344C, TYR92A, TYR97A, VAL236C, VAL238C, VAL247C, VAL248C, VAL341C, VAL351C, VAL363C, VAL382A, VAL74A, VAL78A
• A-D: ALA361A, ALA364A, ALA51D, ALA71D, ALA7A, ALA80D, ARG11A, ARG210A, ARG21D, ARG366A, ASN23D, ASN352A, ASP209A, ASP359A, ASP44D, CYS46D, CYS65D, CYS84D, GLN213A, GLU353A, GLU357A, GLU360A, GLU55D, GLU64D, GLY14A, GLY349A, GLY49D, GLY56D, GLY69D, GLY70D, HIS48D, HIS68D, ILE354A, ILE362A, ILE50D, ILE8A, LEU355A, LEU53D, LYS10A, LYS13A, LYS211A, LYS348A, LYS367A, PHE343A, PHE356A, PHE67D, PRO206A, PRO29D, PRO66D, PRO83D, SER358A, SER52D, SER54D, SER81D, SER82D, THR45D, THR47D, THR57D, THR85D, TRP15A, TRP350A, TYR344A, VAL12A, VAL19A, VAL351A, VAL363A, VAL86D
• A-F: ALA114A, ALA28F, ALA51F, ALA71F, ALA80F, ARG118A, ASN73F, ASP59F, ASP61F, CYS46F, CYS84F, GLN115A, GLN119A, GLU386A, GLU43F, GLU64F, GLY117A, GLY384A, GLY49F, GLY60F, GLY69F, GLY70F, GLY77F, GLY89F, HIS387A, HIS388A, HIS389A, HIS48F, HIS71A, ILE50F, ILE63F, LEU385A, LEU70A, LEU88F, LYS106F, LYS120A, PHE72F, PHE91F, PRO29F, PRO79F, PRO83F, PRO87F, SER113A, SER383A, SER81F, SER82F, THR45F, THR47F, THR57F, THR85F, TRP95A, VAL62F, VAL86F, VAL90F
• B-C: ALA114C, ALA174B, ALA205B, ALA336B, ALA339B, ALA380C, ALA7B, ALA94C, ARG118C, ARG11B, ARG172B, ARG249B, ARG337B, ARG366B, ARG68C, ARG72C, ARG98C, ASN110C, ASN177B, ASN352B, ASN52C, ASP106C, ASP180B, ASP189B, ASP332B, ASP333B, ASP342B, ASP346B, ASP359B, CYS105C, CYS69C, CYS82C, CYS90C, GLN115C, GLN119C, GLN379C, GLN75C, GLU176B, GLU240B, GLU246B, GLU250B, GLU338B, GLU353B, GLU357B, GLU386C, GLU81C, GLY178B, GLY203B, GLY207B, GLY241B, GLY244B, GLY245B, GLY349B, GLY384C, GLY73C, HIS183B, HIS187B, HIS387C, HIS388C, HIS389C, HIS71C, HIS93C, ILE107C, ILE116C, ILE184B, ILE186B, ILE243B, ILE354B, ILE362B, ILE88C, ILE8B, LEU104C, LEU108C, LEU121C, LEU173B, LEU202B, LEU355B, LEU385C, LEU70C, LEU76C, LYS10B, LYS120C, LYS13B, LYS188B, LYS348B, LYS47C, LYS66C, LYS79C, LYS83C, LYS85C, MET340B, PHE204B, PHE239B, PHE343B, PHE356B, PRO111C, PRO181B, PRO201B, PRO206B, SER113C, SER182B, SER358B, SER383C, SER86C, THR109C, THR112C, THR242B, THR84C, THR87C, THR89C, THR96C, TRP335B, TRP350B, TRP91C, TRP95C, TYR185B, TYR18B, TYR344B, TYR92C, TYR97C, VAL236B, VAL238B, VAL247B, VAL248B, VAL341B, VAL351B, VAL363B, VAL382C, VAL74C, VAL78C
• B-D: ALA114B, ALA28D, ALA380B, ALA51D, ALA71D, ALA80D, ARG118B, CYS46D, CYS84D, GLN115B, GLN119B, GLU386B, GLU43D, GLU64D, GLY117B, GLY384B, GLY49D, GLY69D, GLY70D, GLY89D, HIS387B, HIS388B, HIS48D, HIS68D, HIS71B, ILE50D, LEU385B, LEU70B, LEU88D, LYS106D, LYS120B, PHE91D, PRO79D, PRO83D, PRO87D, SER113B, SER81D, SER82D, THR45D, THR47D, THR85D, TRP95B, VAL62D, VAL86D
• B-E: ALA361B, ALA364B, ALA51E, ALA71E, ALA7B, ALA80E, ARG11B, ARG210B, ARG21E, ARG366B, ASN23E, ASN352B, ASP359B, CYS46E, CYS65E, CYS84E, GLU353B, GLU357B, GLU360B, GLU55E, GLU64E, GLY14B, GLY349B, GLY49E, GLY56E, GLY69E, GLY70E, HIS48E, HIS68E, ILE354B, ILE362B, ILE50E, ILE8B, LEU355B, LYS10B, LYS13B, LYS211B, LYS348B, LYS367B, PHE343B, PHE356B, PHE67E, PRO206B, PRO29E, PRO66E, PRO83E, SER358B, SER52E, SER81E, SER82E, THR45E, THR47E, THR57E, THR85E, TRP15B, TRP350B, TYR344B, VAL12B, VAL19B, VAL351B, VAL363B, VAL86E
• C-E: ALA114C, ALA28E, ALA51E, ALA71E, ALA80E, ARG118C, ASN73E, ASP59E, CYS46E, CYS65E, CYS84E, GLN115C, GLN119C, GLU386C, GLU43E, GLU64E, GLY117C, GLY384C, GLY49E, GLY60E, GLY69E, GLY70E, GLY89E, HIS387C, HIS388C, HIS389C, HIS48E, HIS68E, HIS71C, ILE50E, ILE63E, LEU385C, LEU70C, LEU88E, LYS106E, LYS120C, PHE72E, PHE91E, PRO79E, PRO83E, PRO87E, SER113C, SER81E, SER82E, THR45E, THR47E, THR57E, THR85E, TRP95C, VAL62E, VAL86E
• C-F: ALA361C, ALA364C, ALA51F, ALA71F, ALA7C, ALA80F, ARG11C, ARG210C, ARG21F, ARG366C, ASN352C, ASP359C, CYS46F, CYS65F, CYS84F, GLU353C, GLU357C, GLU360C, GLU55F, GLU64F, GLY14C, GLY349C, GLY49F, GLY56F, GLY69F, GLY70F, HIS48F, HIS68F, ILE354C, ILE362C, ILE50F, ILE8C, LEU355C, LYS10C, LYS13C, LYS348C, LYS367C, PHE343C, PHE356C, PHE67F, PRO206C, PRO66F, PRO83F, SER358C, SER52F, SER81F, SER82F, THR45F, THR47F, THR57F, THR85F, TRP15C, TRP350C, TYR344C, VAL12C, VAL19C, VAL351C, VAL363C, VAL86F