3HXJ

crystal structure of pyrrolo-quinoline quinone (pqq_dh) from methanococcus maripaludis, northeast structural genomics consortium target mrr86

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 122
  • Norm. En. per Res.: -4.2547
• Hub Node: A(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	-44.7629	-48.2789	-336.452	-429.4938	151	11	3	12932	11	59	52
A-C	-8.0207	0.0	-65.0189	-73.0396	28	2	0	2285	0	2	9
A-D	-83.8768	-15.487	-419.708	-519.0717	122	28	10	16248	1	23	25
B-D	-8.3752	-12.3049	-67.604	-88.2842	35	1	0	2624	2	6	12
C-D	-24.3446	-101.7814	-280.293	-406.4191	140	5	2	10792	9	49	45

Interface residues

• A-B: ALA121A, ALA121B, ALA137A, ALA137B, ALA177A, ALA177B, ARG131A, ARG131B, ARG255A, ARG255B, ARG313A, ARG313B, ARG92A, ARG92B, ASN123A, ASN123B, ASN155A, ASN155B, ASN157A, ASN157B, ASN175A, ASN175B, ASN314A, ASN314B, ASP102A, ASP102B, ASP116A, ASP116B, ASP125A, ASP125B, ASP156A, ASP156B, ASP176A, ASP176B, ASP195A, ASP195B, ASP22A, ASP234A, ASP234B, ASP274A, ASP274B, ASP86A, ASP86B, ASP94A, GLU128A, GLU128B, GLU14B, GLU257A, GLU257B, GLU89A, GLU89B, GLY117A, GLY117B, GLY126A, GLY126B, GLY235A, GLY275A, GLY293A, GLY315A, GLY315B, GLY58B, GLY87A, GLY87B, HIS118A, HIS118B, ILE122A, ILE122B, ILE138A, ILE138B, ILE178A, ILE178B, ILE17B, ILE256A, ILE256B, ILE296A, ILE297A, ILE297B, ILE61B, LEU110A, LEU110B, LEU119A, LEU119B, LEU16B, LEU233A, LEU233B, LYS12A, LYS133A, LYS133B, LYS135A, LYS135B, LYS136A, LYS136B, LYS254A, LYS254B, LYS316A, LYS90A, LYS90B, PHE103A, PHE103B, PHE15B, PHE93A, SER101A, SER101B, SER114A, SER114B, SER154A, SER154B, SER180A, SER180B, SER232A, SER232B, SER294A, THR113A, THR113B, THR127A, THR127B, THR134A, THR134B, THR179A, THR179B, THR216A, THR216B, THR218A, THR218B, THR292A, THR312A, THR88A, THR88B, THR95A, TRP13B, TRP215A, TRP215B, TRP295A, TRP295B, TRP91A, TRP91B, TYR111A, TYR111B, TYR120A, TYR120B, TYR139A, TYR139B, TYR211A, TYR214A, TYR214B, TYR273A, TYR273B, VAL112A, VAL112B, VAL217A, VAL217B
• A-C: ARG313C, ASN19A, ASN314C, ASN84C, ASP108A, ASP274C, GLU14A, GLU59C, GLY18A, GLY275C, GLY293C, GLY315C, ILE17A, ILE21A, ILE296C, ILE297C, ILE61C, LEU16A, LYS316C, PHE15A, PRO85C, SER20A, SER294C, THR292C, THR312C, TRP13A, TRP295C, TYR273C
• A-D: ALA121A, ALA121D, ALA44A, ALA44D, ARG92A, ARG92D, ASN123A, ASN123D, ASN19A, ASN19D, ASN39A, ASN39D, ASN41A, ASN41D, ASN46A, ASN46D, ASP102A, ASP102D, ASP108A, ASP108D, ASP125A, ASP125D, ASP22A, ASP22D, ASP48A, ASP48D, ASP86A, CB8.20015-14.84111, GLU107A, GLU107D, GLU14A, GLU14D, GLU59A, GLU59D, GLU89A, GLU89D, GLY126A, GLY126D, GLY18A, GLY18D, GLY49A, GLY49D, GLY58A, GLY58D, ILE105A, ILE105D, ILE109A, ILE109D, ILE11D, ILE122A, ILE122D, ILE17A, ILE17D, ILE21A, ILE21D, ILE45A, ILE45D, ILE60A, ILE60D, ILE83A, LEU110A, LEU110D, LEU16A, LEU16D, LEU42A, LEU42D, LYS12A, LYS12A5, LYS12D, LYS40A, LYS40D, LYS52A, LYS52D, LYS56A, LYS56D, PHE103A, PHE103D, PHE106A, PHE106D, PHE15A, PHE15D, PHE54A, PHE54D, PHE55A, PHE55D, PRO25A, SER101A, SER20A, SER20D, SER23A, SER23D, SER24A, SER24D, SER38D, SER50A, SER50D, SER57A, SER57D, THR104A, THR104D, THR124A, THR124D, THR127A, THR127D, THR47A, THR47D, THR88A, THR88D, TRP13A, TRP13D, TRP53A, TRP53D, TRP91A, TRP91D, TYR111A, TYR111D, TYR43A, TYR43D, VAL112A, VAL112D, VAL51A, VAL51D
• B-D: ARG313B, ASN19D, ASN314B, ASN39D, ASN84B, ASP108D, ASP274B, ASP86B, GLU14D, GLU304D, GLU59B, GLU89B, GLY18D, GLY275B, GLY293B, GLY315B, GLY87B, ILE17D, ILE21D, ILE296B, ILE297B, ILE61B, LEU16D, LYS316B, LYS40D, PHE15D, SER20D, SER294B, SER38D, THR292B, THR312B, THR88B, TRP13D, TRP295B, TYR273B
• C-D: ALA121C, ALA121D, ALA137C, ALA137D, ALA177C, ALA177D, ARG131C, ARG131D, ARG255C, ARG255D, ARG313C, ARG313D, ASN123C, ASN123D, ASN155C, ASN155D, ASN157C, ASN157D, ASN175C, ASN175D, ASN314C, ASN314D, ASN84C, ASN84D, ASP102C, ASP102D, ASP116C, ASP116D, ASP125C, ASP125D, ASP156C, ASP156D, ASP176C, ASP176D, ASP195C, ASP195D, ASP22D, ASP234C, ASP234D, ASP274C, ASP274D, GLU128C, GLU128D, GLU14C, GLU257C, GLU257D, GLU59C, GLY117C, GLY117D, GLY126C, GLY126D, GLY18C, GLY235C, GLY235D, GLY275D, GLY293D, GLY315C, GLY315D, HIS118C, HIS118D, ILE11D, ILE122C, ILE122D, ILE138C, ILE138D, ILE178C, ILE178D, ILE17C, ILE256C, ILE256D, ILE296D, ILE297C, ILE297D, ILE60C, ILE61C, LEU110C, LEU110D, LEU119C, LEU119D, LEU16C, LEU233C, LEU233D, LYS12D, LYS133C, LYS133D, LYS135C, LYS135D, LYS136C, LYS136D, LYS254C, LYS254D, LYS316C, LYS316D, LYS90D, PHE103C, PHE103D, PHE15C, SER101C, SER101D, SER114C, SER114D, SER154C, SER154D, SER180C, SER180D, SER232C, SER232D, SER24D, SER294D, THR113C, THR113D, THR127C, THR127D, THR134C, THR134D, THR179C, THR179D, THR216C, THR216D, THR218D, THR292D, THR312D, TRP13C, TRP215C, TRP215D, TRP295C, TRP295D, TYR111C, TYR120C, TYR120D, TYR139C, TYR139D, TYR214C, TYR214D, TYR273C, TYR273D, VAL112C, VAL112D, VAL217C, VAL217D