3G5W

crystal structure of blue copper oxidase from nitrosomonas europaea

• Total interactions analyzed: 15
• Total true interactions: 14
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 150
  • Norm. En. per Res.: -3.921
• Hub Node: A(5)

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	-81.1173	-50.3895	-439.356	-570.8628	150	22	4	16898	10	74	72
A-C	-85.5478	-44.3153	-454.092	-583.9551	150	20	4	17062	9	75	72
A-D	0.0	20.7387	-1.501	19.2376	7	0	0	58	0	2	4
A-E	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	2	2
A-F	0.0	-2.0385	-40.4975	-42.536	42	0	0	2246	0	12	5
B-C	-85.6356	-52.9879	-457.088	-595.7115	153	20	4	17096	11	74	72
B-D	0.0	-3.3412	-44.6124	-47.9536	42	0	0	2501	0	12	8
B-E	0.0	16.9685	-0.9489	16.0196	7	0	0	47	0	2	4
C-D	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	2	2
C-E	0.0	-1.454	-40.1387	-41.5927	41	0	0	2162	0	11	5
C-F	0.0	16.3259	-0.6985	15.6274	7	0	0	34	0	2	4
D-E	-87.2169	-49.019	-451.913	-588.1488	150	16	4	16881	10	73	72
D-F	-77.8501	-53.0191	-449.679	-580.5482	152	20	4	17028	9	74	72
E-F	-79.755	-45.371	-447.306	-572.432	152	20	4	17075	9	74	73

Interface residues

• A-B: ALA120A, ALA124A, ALA238A, ALA244B, ARG109A, ARG278A, ASN150A, ASN152A, ASN284B, ASN287B, ASN303B, ASP115A, ASP188A, ASP205A, ASP208B, ASP240A, ASP258A, ASP263A, ASP263B, ASP269B, ASP286B, ASP295B, ASP298B, ASP305B, ASP308B, ASP323B, CYS147A, GLN108A, GLN113A, GLN122A, GLU153A, GLU199A, GLU277A, GLY105A, GLY110A, GLY116A, GLY198A, GLY200A, GLY201A, GLY204A, GLY237A, GLY239A, GLY249B, GLY259A, GLY268B, GLY274A, GLY276A, GLY289B, GLY304B, GLY309B, GLY321B, HIS102A, HIS104A, HIS119A, HIS123A, HIS146A, HIS148A, HIS154A, HIS241A, HIS243A, HIS243B, HIS246B, HIS248B, HIS250B, HIS294B, HIS296B, HIS300B, HIS324B, ILE202A, ILE236A, ILE245B, ILE251B, ILE254B, ILE266A, ILE266B, ILE273A, ILE273B, ILE293B, ILE315B, ILE322B, LEU107A, LEU262A, LEU272A, LEU272B, LEU290B, LYS227B, LYS257A, LYS264A, LYS264B, LYS267B, LYS306B, LYS330B, MET106A, MET143A, MET157A, MET285B, MET292B, MET312B, PHE131A, PHE207A, PHE207B, PHE217B, PHE260A, PHE326B, PRO118A, PRO139A, PRO203A, PRO261A, PRO265B, PRO275A, PRO288B, PRO307B, PRO325B, SER114A, SER191B, SER252B, THR111A, THR121A, THR142A, THR156A, THR247B, THR270B, THR299B, THR301B, THR302B, THR313B, THR314B, TRP103A, TRP112A, TRP144A, TRP161A, TRP291B, TRP329B, TYR209B, TYR210B, TYR279A, TYR317B, TYR327B, VAL117A, VAL149A, VAL151A, VAL155A, VAL190A, VAL206B, VAL242A, VAL242B, VAL271B, VAL297B, VAL320B, VAL328B
• A-C: ALA120C, ALA124C, ALA238C, ALA244A, ARG109C, ARG278C, ASN150C, ASN152C, ASN284A, ASN287A, ASN303A, ASP115C, ASP188C, ASP205C, ASP208A, ASP240C, ASP258C, ASP263A, ASP263C, ASP269A, ASP286A, ASP295A, ASP298A, ASP305A, ASP308A, ASP323A, CYS147C, GLN108C, GLN113C, GLN122C, GLU153C, GLU199C, GLU277C, GLY105C, GLY110C, GLY116C, GLY200C, GLY201C, GLY204C, GLY237C, GLY239C, GLY249A, GLY259C, GLY268A, GLY274C, GLY276C, GLY289A, GLY304A, GLY309A, GLY321A, HIS102C, HIS104C, HIS119C, HIS123C, HIS146C, HIS148C, HIS154C, HIS241C, HIS243A, HIS243C, HIS246A, HIS248A, HIS250A, HIS294A, HIS296A, HIS300A, HIS324A, ILE202C, ILE236C, ILE245A, ILE251A, ILE254A, ILE266A, ILE266C, ILE273A, ILE273C, ILE293A, ILE315A, ILE322A, LEU107C, LEU262C, LEU272A, LEU272C, LEU290A, LYS227A, LYS257C, LYS264A, LYS264C, LYS267A, LYS306A, LYS330A, MET106C, MET143C, MET157C, MET285A, MET292A, MET312A, PHE131C, PHE207A, PHE207C, PHE217A, PHE260C, PHE326A, PRO118C, PRO139C, PRO203C, PRO261C, PRO265A, PRO275C, PRO288A, PRO307A, PRO325A, SER114C, SER191A, SER252A, THR111C, THR121C, THR142C, THR156C, THR247A, THR270A, THR299A, THR301A, THR302A, THR313A, THR314A, TRP103C, TRP112C, TRP144C, TRP161C, TRP193C, TRP291A, TRP329A, TYR209A, TYR210A, TYR279C, TYR317A, TYR327A, VAL117C, VAL149C, VAL151C, VAL155C, VAL190C, VAL206A, VAL242A, VAL242C, VAL271A, VAL297A, VAL320A, VAL328A
• A-D: ARG109A, ARG109D, ASN170A, ASN170D, ASP263A, ASP263D, LYS264D
• A-E: LYS264A, LYS264E
• A-F: ASN170A, ASN170F, ASN284A, ASN284F, ASP263A, ASP263F, ASP286A, ASP286F, GLN253A, GLN253F, GLU175A, GLU175F, GLY228A, GLY228F, ILE174A, ILE174F, ILE282A, ILE282F, LEU172A, LEU172F, LEU262A, LEU262F, LYS176A, LYS176F, LYS264A, LYS264F, PRO171A, PRO171F, PRO173A, PRO173F, PRO261A, PRO261F, PRO265A, PRO265F, THR177A, THR177F, THR179A, THR179F, VAL178A, VAL178F, VAL230A, VAL230F
• B-C: ALA120B, ALA124B, ALA238B, ALA244C, ARG109B, ARG278B, ASN150B, ASN152B, ASN284C, ASN287C, ASN303C, ASP115B, ASP188B, ASP205B, ASP205C, ASP208C, ASP240B, ASP258B, ASP263B, ASP263C, ASP269C, ASP286C, ASP295C, ASP298C, ASP305C, ASP308C, ASP323C, CYS147B, GLN108B, GLN113B, GLN122B, GLU138B, GLU153B, GLU199B, GLU277B, GLY105B, GLY110B, GLY116B, GLY198B, GLY200B, GLY201B, GLY204B, GLY237B, GLY239B, GLY249C, GLY259B, GLY268C, GLY274B, GLY276B, GLY289C, GLY304C, GLY309C, GLY321C, HIS102B, HIS104B, HIS119B, HIS123B, HIS146B, HIS148B, HIS154B, HIS241B, HIS243B, HIS243C, HIS246C, HIS248C, HIS250C, HIS294C, HIS296C, HIS300C, HIS324C, ILE202B, ILE245C, ILE251C, ILE254C, ILE266B, ILE266C, ILE273B, ILE273C, ILE293C, ILE315C, ILE322C, LEU107B, LEU262B, LEU272B, LEU272C, LEU290C, LYS227C, LYS257B, LYS264B, LYS264C, LYS267C, LYS306C, LYS330C, MET106B, MET143B, MET157B, MET285C, MET292C, MET312C, PHE131B, PHE207B, PHE207C, PHE217C, PHE256B, PHE260B, PHE326C, PRO118B, PRO139B, PRO203B, PRO261B, PRO265C, PRO275B, PRO288C, PRO307C, PRO325C, SER114B, SER191C, SER252C, THR111B, THR121B, THR142B, THR156B, THR247C, THR270C, THR299C, THR301C, THR302C, THR313C, THR314C, TRP103B, TRP112B, TRP144B, TRP161B, TRP193B, TRP291C, TRP329C, TYR209C, TYR210C, TYR279B, TYR317C, TYR327C, VAL117B, VAL149B, VAL151B, VAL155B, VAL190B, VAL206C, VAL242B, VAL242C, VAL271C, VAL297C, VAL320C, VAL328C
• B-D: ASN170B, ASN170D, ASN284B, ASN284D, ASP263B, ASP263D, ASP286B, ASP286D, GLN253B, GLN253D, GLU175B, GLU175D, GLY228B, GLY228D, ILE174B, ILE174D, ILE282B, ILE282D, LEU172B, LEU172D, LEU262B, LEU262D, LYS176B, LYS176D, LYS264B, LYS264D, PRO171B, PRO171D, PRO173B, PRO173D, PRO261B, PRO261D, PRO265B, PRO265D, THR177B, THR177D, THR179B, THR179D, VAL178B, VAL178D, VAL230B, VAL230D
• B-E: ARG109B, ARG109E, ASN170B, ASN170E, ASP263B, ASP263E, LYS264B
• C-D: LYS264C, LYS264D
• C-E: ASN170C, ASN170E, ASN284C, ASN284E, ASP263C, ASP263E, ASP286C, ASP286E, GLN253C, GLN253E, GLU175C, GLU175E, GLY228C, GLY228E, ILE174C, ILE174E, ILE282C, ILE282E, LEU172C, LEU172E, LEU262C, LEU262E, LYS176C, LYS176E, LYS264C, LYS264E, PRO171C, PRO171E, PRO173C, PRO173E, PRO261C, PRO261E, PRO265C, PRO265E, THR177C, THR177E, THR179C, VAL178C, VAL178E, VAL230C, VAL230E
• C-F: ARG109C, ARG109F, ASN170C, ASN170F, ASP263C, ASP263F, LYS264C
• D-E: ALA120E, ALA124E, ALA238E, ALA244D, ARG109E, ARG278E, ASN150E, ASN152E, ASN284D, ASN287D, ASN303D, ASP115E, ASP188E, ASP205D, ASP205E, ASP208D, ASP240E, ASP258E, ASP263D, ASP263E, ASP269D, ASP286D, ASP295D, ASP298D, ASP305D, ASP308D, ASP323D, CYS147E, GLN108E, GLN113E, GLN122E, GLU153E, GLU199E, GLU277E, GLY105E, GLY110E, GLY116E, GLY200E, GLY201E, GLY204E, GLY237E, GLY239E, GLY249D, GLY259E, GLY268D, GLY274E, GLY276E, GLY289D, GLY304D, GLY309D, GLY321D, HIS102E, HIS104E, HIS119E, HIS123E, HIS146E, HIS148E, HIS154E, HIS241E, HIS243D, HIS243E, HIS246D, HIS248D, HIS250D, HIS294D, HIS296D, HIS300D, HIS324D, ILE202E, ILE245D, ILE251D, ILE254D, ILE266D, ILE266E, ILE273D, ILE273E, ILE293D, ILE315D, ILE322D, LEU107E, LEU262E, LEU272D, LEU272E, LEU290D, LYS227D, LYS257E, LYS264D, LYS264E, LYS267D, LYS306D, LYS330D, MET106E, MET143E, MET157E, MET285D, MET292D, MET312D, PHE131E, PHE207D, PHE207E, PHE217D, PHE260E, PHE326D, PRO118E, PRO139E, PRO203E, PRO261E, PRO265D, PRO275E, PRO288D, PRO307D, PRO325D, SER114E, SER191D, SER252D, THR111E, THR121E, THR142E, THR156E, THR247D, THR270D, THR299D, THR301D, THR302D, THR313D, THR314D, TRP103E, TRP112E, TRP144E, TRP161E, TRP193E, TRP291D, TRP329D, TYR209D, TYR210D, TYR279E, TYR317D, TYR327D, VAL117E, VAL149E, VAL151E, VAL155E, VAL190E, VAL206D, VAL242D, VAL242E, VAL271D, VAL297D, VAL320D, VAL328D
• D-F: ALA120D, ALA124D, ALA238D, ALA244F, ARG109D, ARG278D, ASN150D, ASN152D, ASN284F, ASN287F, ASN303F, ASP115D, ASP188D, ASP205D, ASP205F, ASP208F, ASP240D, ASP258D, ASP263D, ASP263F, ASP269F, ASP286F, ASP295F, ASP298F, ASP305F, ASP308F, ASP323F, CYS147D, GLN108D, GLN113D, GLN122D, GLU138D, GLU153D, GLU199D, GLU277D, GLY105D, GLY110D, GLY116D, GLY198D, GLY200D, GLY201D, GLY204D, GLY237D, GLY239D, GLY249F, GLY259D, GLY268F, GLY274D, GLY276D, GLY289F, GLY304F, GLY309F, GLY321F, HIS102D, HIS104D, HIS119D, HIS123D, HIS146D, HIS148D, HIS154D, HIS241D, HIS243D, HIS243F, HIS246F, HIS248F, HIS250F, HIS294F, HIS296F, HIS300F, HIS324F, ILE202D, ILE245F, ILE251F, ILE254F, ILE266D, ILE266F, ILE273D, ILE273F, ILE293F, ILE315F, ILE322F, LEU107D, LEU262D, LEU272D, LEU272F, LEU290F, LYS227F, LYS257D, LYS264D, LYS264F, LYS267F, LYS306F, LYS330F, MET106D, MET143D, MET157D, MET285F, MET292F, MET312F, PHE131D, PHE207D, PHE207F, PHE217F, PHE256D, PHE260D, PHE326F, PRO118D, PRO139D, PRO203D, PRO261D, PRO265F, PRO275D, PRO288F, PRO307F, PRO325F, SER114D, SER252F, THR111D, THR121D, THR142D, THR156D, THR247F, THR270F, THR299F, THR301F, THR302F, THR313F, THR314F, TRP103D, TRP112D, TRP144D, TRP161D, TRP193D, TRP291F, TRP329F, TYR209F, TYR210F, TYR279D, TYR317F, TYR327F, VAL117D, VAL149D, VAL151D, VAL155D, VAL190D, VAL206F, VAL242D, VAL242F, VAL271F, VAL297F, VAL320F, VAL328F
• E-F: ALA120F, ALA124F, ALA238F, ALA244E, ARG109F, ARG278F, ASN150F, ASN152F, ASN284E, ASN287E, ASN303E, ASP115F, ASP188F, ASP205E, ASP205F, ASP208E, ASP240F, ASP258F, ASP263E, ASP263F, ASP269E, ASP286E, ASP295E, ASP298E, ASP305E, ASP308E, ASP323E, CYS147F, GLN108F, GLN113F, GLN122F, GLU153F, GLU199F, GLU277F, GLY105F, GLY110F, GLY116F, GLY200F, GLY201F, GLY204F, GLY237F, GLY239F, GLY249E, GLY259F, GLY268E, GLY274F, GLY276F, GLY289E, GLY304E, GLY309E, GLY321E, HIS102F, HIS104F, HIS119F, HIS123F, HIS146F, HIS148F, HIS154F, HIS241F, HIS243E, HIS243F, HIS246E, HIS248E, HIS250E, HIS294E, HIS296E, HIS300E, HIS324E, ILE202F, ILE245E, ILE251E, ILE254E, ILE266E, ILE266F, ILE273E, ILE273F, ILE293E, ILE315E, ILE322E, LEU107F, LEU262F, LEU272E, LEU272F, LEU290E, LYS227E, LYS257F, LYS264E, LYS264F, LYS267E, LYS306E, LYS330E, MET106F, MET143F, MET157F, MET285E, MET292E, MET312E, PHE131F, PHE207E, PHE207F, PHE217E, PHE256F, PHE260F, PHE326E, PRO118F, PRO139F, PRO203F, PRO261F, PRO265E, PRO275F, PRO288E, PRO307E, PRO325E, SER114F, SER191E, SER252E, THR111F, THR121F, THR142F, THR156F, THR247E, THR270E, THR299E, THR301E, THR302E, THR313E, THR314E, TRP103F, TRP112F, TRP144F, TRP161F, TRP193F, TRP291E, TRP329E, TYR209E, TYR210E, TYR279F, TYR317E, TYR327E, VAL117F, VAL149F, VAL151F, VAL155F, VAL190E, VAL190F, VAL206E, VAL242E, VAL242F, VAL271E, VAL297E, VAL320E, VAL328E