1Z03

2-oxoquinoline 8-monooxygenase component: active site modulation by rieske-[2fe-2s] center oxidation/reduction

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 171
  • Norm. En. per Res.: -4.6815
• Hub Node: B(3)

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	-88.3293	-140.0908	-562.877	-791.2971	172	20	20	22782	10	55	52
A-C	-84.7135	-136.6695	-578.106	-799.489	172	21	19	22954	9	54	53
B-C	-93.5974	-136.2132	-570.725	-800.5356	171	21	19	22827	10	55	53
B-D	0.0	5.5846	-34.5325	-28.9479	37	2	0	1492	0	13	17
B-F	-4.2804	0.0	-14.7172	-18.9976	17	2	0	448	0	7	11
D-E	-89.3727	-135.7331	-568.127	-793.2328	172	19	19	22882	9	55	53
D-F	-91.7238	-137.6562	-575.225	-804.605	172	25	20	22895	9	54	53
E-F	-92.0085	-135.1608	-573.717	-800.8862	172	22	18	22850	10	54	53

Interface residues

• A-B: ALA124A, ALA19B, ALA212B, ALA21B, ALA220B, ALA272B, ALA368B, ALA371B, ALA389B, ALA416A, ALA418A, ALA430A, ALA430B, ARG20B, ARG210B, ARG369B, ARG398B, ARG413A, ARG434B, ARG87A, ARG90A, ASN125A, ASN208B, ASN215B, ASN219B, ASN228B, ASN22B, ASN23B, ASN277B, ASN374B, ASP128A, ASP18B, ASP218B, ASP227B, ASP323B, ASP324B, ASP365B, ASP378B, ASP384B, ASP391B, ASP421A, ASP421B, ASP431A, ASP431B, CYS105A, CYS84A, CYS97A, GLN278B, GLN373B, GLN386B, GLN428A, GLN428B, GLN83A, GLU127A, GLU214B, GLU276B, GLU279B, GLU370B, GLU385B, GLU93A, GLY109A, GLY132A, GLY135A, GLY205B, GLY207B, GLY216B, GLY241B, GLY281B, GLY379B, GLY381B, GLY412A, GLY414A, GLY417A, GLY432A, GLY432B, GLY436B, GLY88A, HIS108A, HIS221B, HIS225B, HIS326B, HIS86A, ILE103A, ILE122A, ILE131A, ILE16B, ILE211B, ILE222B, ILE392B, ILE395B, ILE425A, ILE425B, ILE442A, LEU119A, LEU130A, LEU223B, LEU240B, LEU242B, LEU243B, LEU275B, LEU280B, LEU282B, LEU366B, LEU387B, LEU424A, LEU85A, LEU91A, LYS129A, LYS226B, LYS420A, LYS420B, LYS427A, LYS427B, LYS433A, LYS433B, LYS94A, MET372B, PHE110A, PHE112A, PHE206B, PHE217B, PHE375B, PHE426A, PHE426B, PHE98A, PRO126A, PRO239B, PRO244B, PRO273B, PRO394B, PRO435B, SER101A, SER104A, SER17B, SER364B, SER393B, SER423A, SER423B, THR102A, THR111A, THR121A, THR133A, THR134A, THR204B, THR322B, THR325B, THR380B, THR390B, THR422A, THR422B, THR429A, THR429B, THR96A, THR99A, TRP106A, TRP382B, TRP397B, TYR107A, TYR33B, TYR367B, TYR376B, TYR377B, VAL120A, VAL123A, VAL136A, VAL224B, VAL274B, VAL388B, VAL415A, VAL419A, VAL419B, VAL89A
• A-C: ALA124C, ALA19A, ALA212A, ALA21A, ALA220A, ALA272A, ALA368A, ALA371A, ALA389A, ALA416C, ALA418C, ALA430A, ALA430C, ARG20A, ARG210A, ARG369A, ARG398A, ARG413C, ARG434A, ARG87C, ARG90C, ASN125C, ASN208A, ASN215A, ASN219A, ASN228A, ASN22A, ASN23A, ASN277A, ASN374A, ASP128C, ASP18A, ASP218A, ASP227A, ASP323A, ASP324A, ASP365A, ASP378A, ASP384A, ASP391A, ASP421A, ASP421C, ASP431A, ASP431C, CYS105C, CYS84C, CYS97C, GLN278A, GLN373A, GLN386A, GLN428A, GLN428C, GLN83C, GLU127C, GLU214A, GLU276A, GLU279A, GLU370A, GLU385A, GLU93C, GLY109C, GLY132C, GLY135C, GLY205A, GLY207A, GLY216A, GLY241A, GLY281A, GLY379A, GLY381A, GLY412C, GLY414C, GLY417C, GLY432A, GLY432C, GLY436A, GLY88C, HIS108C, HIS221A, HIS225A, HIS326A, HIS86C, ILE103C, ILE122C, ILE131C, ILE16A, ILE211A, ILE222A, ILE392A, ILE395A, ILE425A, ILE425C, ILE442C, LEU119C, LEU130C, LEU223A, LEU240A, LEU242A, LEU243A, LEU275A, LEU280A, LEU282A, LEU366A, LEU387A, LEU424C, LEU85C, LEU91C, LYS129C, LYS226A, LYS420A, LYS420C, LYS427A, LYS427C, LYS433A, LYS433C, LYS94C, MET372A, PHE110C, PHE112C, PHE206A, PHE217A, PHE375A, PHE426A, PHE426C, PHE98C, PRO126C, PRO239A, PRO244A, PRO273A, PRO394A, PRO435A, SER101C, SER104C, SER17A, SER364A, SER393A, SER423A, SER423C, THR102C, THR111C, THR121C, THR133C, THR134C, THR204A, THR322A, THR325A, THR380A, THR390A, THR422A, THR422C, THR429A, THR429C, THR96C, THR99C, TRP106C, TRP382A, TRP397A, TYR107C, TYR33A, TYR367A, TYR376A, TYR377A, VAL120C, VAL123C, VAL136C, VAL224A, VAL274A, VAL388A, VAL415C, VAL419A, VAL419C, VAL89C
• B-C: ALA124B, ALA19C, ALA212C, ALA21C, ALA220C, ALA272C, ALA368C, ALA371C, ALA389C, ALA416B, ALA418B, ALA430B, ALA430C, ARG20C, ARG210C, ARG369C, ARG398C, ARG413B, ARG434C, ARG87B, ARG90B, ASN125B, ASN208C, ASN215C, ASN219C, ASN228C, ASN22C, ASN23C, ASN277C, ASN374C, ASP128B, ASP18C, ASP218C, ASP227C, ASP323C, ASP324C, ASP365C, ASP378C, ASP384C, ASP391C, ASP421B, ASP421C, ASP431B, ASP431C, CYS105B, CYS84B, CYS97B, GLN278C, GLN373C, GLN386C, GLN428B, GLN428C, GLN83B, GLU127B, GLU214C, GLU276C, GLU279C, GLU370C, GLU385C, GLU93B, GLY109B, GLY132B, GLY135B, GLY205C, GLY207C, GLY216C, GLY241C, GLY281C, GLY379C, GLY381C, GLY412B, GLY414B, GLY417B, GLY432B, GLY432C, GLY436C, GLY88B, HIS108B, HIS221C, HIS225C, HIS326C, HIS86B, ILE103B, ILE122B, ILE131B, ILE16C, ILE211C, ILE222C, ILE392C, ILE395C, ILE425B, ILE425C, ILE442B, LEU119B, LEU130B, LEU223C, LEU240C, LEU242C, LEU243C, LEU275C, LEU280C, LEU282C, LEU366C, LEU387C, LEU424B, LEU85B, LEU91B, LYS129B, LYS226C, LYS420B, LYS420C, LYS427B, LYS427C, LYS433B, LYS433C, LYS94B, MET372C, PHE110B, PHE112B, PHE206C, PHE375C, PHE426B, PHE426C, PHE98B, PRO126B, PRO239C, PRO244C, PRO273C, PRO394C, PRO435C, SER101B, SER104B, SER17C, SER364C, SER393C, SER423B, SER423C, THR102B, THR111B, THR121B, THR133B, THR134B, THR204C, THR322C, THR325C, THR380C, THR390C, THR422B, THR422C, THR429B, THR429C, THR96B, THR99B, TRP106B, TRP382C, TRP397C, TYR107B, TYR33C, TYR367C, TYR376C, TYR377C, VAL120B, VAL123B, VAL136B, VAL224C, VAL274C, VAL388C, VAL415B, VAL419B, VAL419C, VAL89B
• B-D: ALA272D, ARG334B, ARG342B, ASN195B, ASN277D, ASP194B, ASP247D, ASP269D, ASP341B, CYS336B, GLN278D, GLU276D, GLU279D, GLU340B, GLY281D, HIS182B, HIS311B, LEU184B, LEU243D, LEU275D, LEU280D, LEU282D, LYS270D, LYS283D, LYS344B, PHE345B, PRO181B, PRO183B, PRO186B, PRO244D, PRO337B, SER246D, THR245D, THR338B, TRP185B, VAL274D, VAL335B
• B-F: ASP128F, GLU127F, GLU175B, GLU178B, HIS182B, HIS311B, ILE131F, LYS129F, PHE173B, PRO126F, PRO174B, PRO186B, SER177B, SER187B, SER188B, THR338B, THR99F
• D-E: ALA124D, ALA19E, ALA212E, ALA21E, ALA220E, ALA272E, ALA368E, ALA371E, ALA389E, ALA416D, ALA418D, ALA430D, ALA430E, ARG20E, ARG210E, ARG369E, ARG398E, ARG413D, ARG434E, ARG87D, ARG90D, ASN125D, ASN208E, ASN215E, ASN219E, ASN228E, ASN22E, ASN23E, ASN277E, ASN374E, ASP128D, ASP18E, ASP218E, ASP227E, ASP323E, ASP324E, ASP365E, ASP378E, ASP384E, ASP391E, ASP421D, ASP421E, ASP431D, ASP431E, CYS105D, CYS84D, CYS97D, GLN278E, GLN373E, GLN386E, GLN428D, GLN428E, GLN83D, GLU127D, GLU214E, GLU276E, GLU279E, GLU370E, GLU385E, GLU93D, GLY109D, GLY132D, GLY135D, GLY205E, GLY207E, GLY216E, GLY241E, GLY281E, GLY379E, GLY381E, GLY412D, GLY414D, GLY417D, GLY432D, GLY432E, GLY436E, GLY88D, HIS108D, HIS221E, HIS225E, HIS326E, HIS86D, ILE103D, ILE122D, ILE131D, ILE16E, ILE211E, ILE222E, ILE392E, ILE395E, ILE425D, ILE425E, ILE442D, LEU119D, LEU130D, LEU223E, LEU240E, LEU242E, LEU243E, LEU275E, LEU280E, LEU282E, LEU366E, LEU387E, LEU424D, LEU85D, LEU91D, LYS129D, LYS226E, LYS420D, LYS420E, LYS427D, LYS427E, LYS433D, LYS433E, LYS94D, MET372E, PHE110D, PHE112D, PHE206E, PHE217E, PHE375E, PHE426D, PHE426E, PHE98D, PRO126D, PRO239E, PRO244E, PRO273E, PRO394E, PRO435E, SER101D, SER104D, SER17E, SER364E, SER393E, SER423D, SER423E, THR102D, THR111D, THR121D, THR133D, THR134D, THR204E, THR322E, THR325E, THR380E, THR390E, THR422D, THR422E, THR429D, THR429E, THR96D, THR99D, TRP106D, TRP382E, TRP397E, TYR107D, TYR33E, TYR367E, TYR376E, TYR377E, VAL120D, VAL123D, VAL136D, VAL224E, VAL274E, VAL388E, VAL415D, VAL419D, VAL419E, VAL89D
• D-F: ALA124F, ALA19D, ALA212D, ALA21D, ALA220D, ALA272D, ALA368D, ALA371D, ALA389D, ALA416F, ALA418F, ALA430D, ALA430F, ARG20D, ARG210D, ARG369D, ARG398D, ARG413F, ARG434D, ARG87F, ARG90F, ASN125F, ASN208D, ASN215D, ASN219D, ASN228D, ASN22D, ASN23D, ASN277D, ASN374D, ASP128F, ASP18D, ASP218D, ASP227D, ASP323D, ASP324D, ASP365D, ASP378D, ASP384D, ASP391D, ASP421D, ASP421F, ASP431D, ASP431F, CYS105F, CYS84F, CYS97F, GLN278D, GLN373D, GLN386D, GLN428D, GLN428F, GLN83F, GLU127F, GLU214D, GLU276D, GLU279D, GLU370D, GLU385D, GLU93F, GLY109F, GLY132F, GLY135F, GLY205D, GLY207D, GLY216D, GLY241D, GLY281D, GLY379D, GLY381D, GLY412F, GLY414F, GLY417F, GLY432D, GLY432F, GLY436D, GLY88F, HIS108F, HIS221D, HIS225D, HIS326D, HIS86F, ILE103F, ILE122F, ILE131F, ILE16D, ILE211D, ILE222D, ILE392D, ILE395D, ILE425D, ILE425F, ILE442F, LEU119F, LEU130F, LEU223D, LEU240D, LEU242D, LEU243D, LEU275D, LEU280D, LEU282D, LEU366D, LEU387D, LEU424F, LEU85F, LEU91F, LYS129F, LYS226D, LYS420D, LYS420F, LYS427D, LYS427F, LYS433D, LYS433F, LYS94F, MET372D, PHE110F, PHE112F, PHE206D, PHE217D, PHE375D, PHE426D, PHE426F, PHE98F, PRO126F, PRO239D, PRO244D, PRO273D, PRO394D, PRO435D, SER101F, SER104F, SER17D, SER364D, SER393D, SER423D, SER423F, THR102F, THR111F, THR121F, THR133F, THR134F, THR204D, THR322D, THR325D, THR380D, THR390D, THR422D, THR422F, THR429D, THR429F, THR96F, THR99F, TRP106F, TRP382D, TRP397D, TYR107F, TYR33D, TYR367D, TYR376D, TYR377D, VAL120F, VAL123F, VAL136F, VAL224D, VAL274D, VAL388D, VAL415F, VAL419D, VAL419F, VAL89F
• E-F: ALA124E, ALA19F, ALA212F, ALA21F, ALA220F, ALA272F, ALA368F, ALA371F, ALA389F, ALA416E, ALA418E, ALA430E, ALA430F, ARG20F, ARG210F, ARG369F, ARG398F, ARG413E, ARG434F, ARG87E, ARG90E, ASN125E, ASN208F, ASN215F, ASN219F, ASN228F, ASN22F, ASN23F, ASN277F, ASN374F, ASP128E, ASP18F, ASP218F, ASP227F, ASP323F, ASP324F, ASP365F, ASP378F, ASP384F, ASP391F, ASP421E, ASP421F, ASP431E, ASP431F, CYS105E, CYS84E, CYS97E, GLN278F, GLN373F, GLN386F, GLN428E, GLN428F, GLN83E, GLU127E, GLU214F, GLU276F, GLU279F, GLU370F, GLU385F, GLU93E, GLY109E, GLY132E, GLY135E, GLY205F, GLY207F, GLY216F, GLY241F, GLY281F, GLY379F, GLY381F, GLY412E, GLY414E, GLY417E, GLY432E, GLY432F, GLY436F, GLY88E, HIS108E, HIS221F, HIS225F, HIS326F, HIS86E, ILE103E, ILE122E, ILE131E, ILE16F, ILE211F, ILE222F, ILE392F, ILE395F, ILE425E, ILE425F, ILE442E, LEU119E, LEU130E, LEU223F, LEU240F, LEU242F, LEU243F, LEU275F, LEU280F, LEU282F, LEU366F, LEU387F, LEU424E, LEU85E, LEU91E, LYS129E, LYS226F, LYS420E, LYS420F, LYS427E, LYS427F, LYS433E, LYS433F, LYS81E, LYS94E, MET372F, PHE110E, PHE112E, PHE206F, PHE217F, PHE375F, PHE426E, PHE426F, PHE98E, PRO126E, PRO239F, PRO244F, PRO273F, PRO394F, PRO435F, SER101E, SER104E, SER17F, SER364F, SER393F, SER423E, THR102E, THR111E, THR121E, THR133E, THR134E, THR204F, THR322F, THR325F, THR380F, THR390F, THR422E, THR422F, THR429E, THR429F, THR96E, THR99E, TRP106E, TRP382F, TRP397F, TYR107E, TYR33F, TYR367F, TYR376F, TYR377F, VAL120E, VAL123E, VAL136E, VAL224F, VAL274F, VAL388F, VAL415E, VAL419E, VAL419F, VAL89E