3G3E

crystal structure of human d-amino acid oxidase in complex with hydroxyquinolin-2(1h)

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 158
  • Norm. En. per Res.: -3.1905
• 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	-34.0474	-73.3544	-384.706	-492.1077	158	13	0	17362	6	32	51
A-C	0.0	16.926	-7.0075	9.9185	14	0	0	540	0	2	2
A-D	-2.2085	0.3145	-132.215	-134.109	99	11	5	6559	2	26	23
B-C	-2.7639	0.5079	-124.75	-127.006	99	11	5	6456	1	26	23
B-D	0.0	16.1553	-5.9894	10.1659	14	0	0	517	0	2	2
C-D	-39.1161	-71.2105	-393.77	-504.0965	158	17	0	17519	6	31	51

Interface residues

• A-B: ALA207A, ALA207B, ALA273A, ALA273B, ALA84A, ALA84B, ARG115A, ARG115B, ARG120A, ARG120B, ARG265A, ARG265B, ARG274A, ARG274B, ASN143A, ASN143B, ASN272A, ASN272B, ASN83A, ASN83B, ASN86A, ASN86B, ASP109A, ASP109B, ASP123A, ASP123B, ASP206A, ASP206B, ASP73A, ASP73B, CYS264A, CYS264B, GLN234A, GLN234B, GLN69A, GLN69B, GLU121A, GLU121B, GLU140A, GLU140B, GLU267A, GLU267B, GLU85A, GLU85B, GLY113A, GLY113B, GLY232A, GLY232B, GLY88A, GLY88B, GLY94A, GLY94B, HIS134A, HIS134B, HIS212A, HIS212B, HIS78A, HIS78B, HIS80A, HIS80B, ILE138A, ILE138B, ILE214A, ILE214B, ILE229A, ILE229B, ILE230A, ILE230B, ILE92A, ILE92B, LEU112A, LEU112B, LEU117A, LEU117B, LEU122A, LEU122B, LEU137A, LEU137B, LEU266A, LEU266B, LEU270A, LEU270B, LEU76A, LEU76B, LEU89A, LEU89B, LEU91A, LEU91B, LEU97A, LEU97B, LYS108A, LYS108B, LYS116A, LYS116B, LYS211A, LYS211B, LYS271A, LYS271B, MET124A, MET124B, MET210A, MET210B, PHE114A, PHE114B, PHE125A, PHE125B, PHE133A, PHE133B, PHE213A, PHE213B, PHE72A, PHE72B, PHE90A, PHE90B, PRO119A, PRO119B, PRO126A, PRO126B, PRO208A, PRO208B, PRO231A, PRO231B, PRO268A, PRO268B, PRO82A, PRO82B, SER136A, SER136B, SER77A, SER77B, SER81A, SER81B, SER93A, SER93B, THR110A, THR110B, THR118A, THR118B, THR135A, THR135B, THR233A, THR233B, THR235A, THR235B, THR269A, THR269B, TRP107A, TRP107B, TRP209A, TRP209B, TYR95A, TYR95B, VAL111A, VAL111B, VAL236A, VAL236B, VAL79A, VAL79B
• A-C: ALA207A, ALA207C, ALA273A, ALA273C, ARG274A, ARG274C, ASN272A, ASN272C, ASP206A, ASP206C, PRO208A, PRO208C, TRP209A, TRP209C
• A-D: ALA36A, ALA36D, ALA8A, ALA8D, ARG162A, ARG162D, ARG199A, ARG199D, ARG274A, ARG274D, ARG279A, ARG279D, ARG38A, ARG38D, ASN246A, ASN246D, ASN251A, ASN251D, ASN252A, ASN252D, ASN86A, ASN86D, ASP37A, ASP37D, ASP46A, ASP46D, GLN146A, GLN146D, GLN161A, GLN161D, GLN234A, GLN234D, GLN254A, GLN254D, GLU150A, GLU150D, GLU154A, GLU165A, GLU165D, GLU249A, GLU249D, GLU278A, GLU278D, GLU85A, GLU85D, GLY277A, GLY277D, GLY281A, GLY281D, HIS256A, HIS256D, ILE253A, ILE253D, ILE275A, ILE275D, ILE276A, ILE276D, LEU250A, LEU250D, LEU42A, LEU42D, LYS142A, LYS142D, LYS158A, LYS158D, LYS163A, LYS163D, PHE159A, PHE159D, PHE160A, PHE160D, PHE282A, PHE282D, PHE39A, PHE39D, PRO41A, PRO41D, SER248A, SER248D, THR149A, THR149D, THR153A, THR153D, THR280A, THR280D, THR40A, THR40D, THR43A, THR43D, TRP185A, TRP185D, TRP247A, TRP247D, TYR35A, TYR35D, VAL34A, VAL34D, VAL47A, VAL47D
• B-C: ALA36B, ALA36C, ALA8B, ALA8C, ARG162B, ARG162C, ARG199B, ARG199C, ARG274B, ARG274C, ARG279B, ARG279C, ARG38B, ARG38C, ASN246B, ASN246C, ASN251B, ASN251C, ASN252B, ASN252C, ASN86B, ASN86C, ASP37B, ASP37C, ASP46B, ASP46C, GLN146B, GLN146C, GLN161B, GLN161C, GLN234B, GLN234C, GLN254B, GLN254C, GLU150B, GLU150C, GLU154C, GLU165B, GLU165C, GLU249B, GLU249C, GLU278B, GLU278C, GLU85B, GLU85C, GLY277B, GLY277C, GLY281B, GLY281C, HIS256B, HIS256C, ILE253B, ILE253C, ILE275B, ILE275C, ILE276B, ILE276C, LEU250B, LEU250C, LEU42B, LEU42C, LYS142B, LYS142C, LYS158B, LYS158C, LYS163B, LYS163C, PHE159B, PHE159C, PHE160B, PHE160C, PHE282B, PHE282C, PHE39B, PHE39C, PRO41B, PRO41C, SER248B, SER248C, THR149B, THR149C, THR153B, THR153C, THR280B, THR280C, THR40B, THR40C, THR43B, THR43C, TRP185B, TRP185C, TRP247B, TRP247C, TYR35B, TYR35C, VAL34B, VAL34C, VAL47B, VAL47C
• B-D: ALA207B, ALA207D, ALA273B, ALA273D, ARG274B, ARG274D, ASN272B, ASN272D, ASP206B, ASP206D, PRO208B, PRO208D, TRP209B, TRP209D
• C-D: ALA207C, ALA207D, ALA273C, ALA273D, ALA84C, ALA84D, ARG115C, ARG115D, ARG120C, ARG120D, ARG265C, ARG265D, ARG274C, ARG274D, ASN143C, ASN143D, ASN272C, ASN272D, ASN83C, ASN83D, ASN86C, ASN86D, ASP109C, ASP109D, ASP123C, ASP123D, ASP206C, ASP206D, ASP73C, ASP73D, CYS264C, CYS264D, GLN234C, GLN234D, GLN69C, GLN69D, GLU121C, GLU121D, GLU140C, GLU140D, GLU267C, GLU267D, GLU85C, GLU85D, GLY113C, GLY113D, GLY232C, GLY232D, GLY88C, GLY88D, GLY94C, GLY94D, HIS134C, HIS134D, HIS212C, HIS212D, HIS78C, HIS78D, HIS80C, HIS80D, ILE138C, ILE138D, ILE214C, ILE214D, ILE229C, ILE229D, ILE230C, ILE230D, ILE92C, ILE92D, LEU112C, LEU112D, LEU117C, LEU117D, LEU122C, LEU122D, LEU137C, LEU137D, LEU266C, LEU266D, LEU270C, LEU270D, LEU76C, LEU76D, LEU89C, LEU89D, LEU91C, LEU91D, LEU97C, LEU97D, LYS108C, LYS108D, LYS116C, LYS116D, LYS211C, LYS211D, LYS271C, LYS271D, MET124C, MET124D, MET210C, MET210D, PHE114C, PHE114D, PHE125C, PHE125D, PHE133C, PHE133D, PHE213C, PHE213D, PHE72C, PHE72D, PHE90C, PHE90D, PRO119C, PRO119D, PRO126C, PRO126D, PRO208C, PRO208D, PRO231C, PRO231D, PRO268C, PRO268D, PRO82C, PRO82D, SER136C, SER136D, SER77C, SER77D, SER81C, SER81D, SER93C, SER93D, THR110C, THR110D, THR118C, THR118D, THR135C, THR135D, THR233C, THR233D, THR235C, THR235D, THR269C, THR269D, TRP107C, TRP107D, TRP209C, TRP209D, TYR95C, TYR95D, VAL111C, VAL111D, VAL236C, VAL236D, VAL79C, VAL79D