1WNT

strucutre of the tetrameric form of human l-xylulose reductase

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 159
  • Norm. En. per Res.: -4.0563
• 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	-29.5078	29.479	-85.9622	-85.9911	31	5	2	2565	0	2	4
A-C	-50.4956	-31.8298	-504.225	-586.5504	157	25	17	20700	6	40	41
A-D	-45.5684	-39.3068	-400.468	-485.3432	151	22	6	17114	2	16	24
B-C	-44.3097	-36.425	-388.019	-468.7537	155	25	6	17115	1	18	24
B-D	-69.007	-42.7576	-533.189	-644.9535	159	34	16	21260	6	40	40
C-D	-43.8021	37.8975	-67.1793	-73.0839	32	19	2	2576	0	2	4

Interface residues

• A-B: ALA142A, ALA142B, ALA243A, ALA243B, ARG141A, ARG141B, ARG203A, ARG203B, ASN202A, ASN202B, CYS138A, CYS138B, CYS150B, CYS244A, CYS244B, GLN140A, GLN140B, GLY240B, MET200A, PHE241A, PHE241B, PRO205A, PRO205B, THR144A, THR144B, THR199A, THR199B, TRP242A, TRP242B, VAL143A, VAL143B
• A-C: ALA110A, ALA110C, ALA119A, ALA119C, ALA124A, ALA124C, ALA142A, ALA142C, ALA155A, ALA155C, ALA164A, ALA164C, ALA66A, ARG102C, ARG109A, ARG109C, ARG120A, ARG120C, ARG141A, ARG141C, ARG203A, ARG203C, ASN107A, ASN107C, ASN133A, ASN133C, ASN145A, ASN145C, ASN82A, ASN82C, ASP101A, ASP101C, ASP157A, ASP157C, ASP63A, ASP63C, CYS138A, CYS138C, CYS150A, CYS150C, GLN113A, GLN113C, GLN116A, GLN116C, GLN137A, GLN137C, GLN140A, GLN140C, GLN90A, GLN90C, GLU105A, GLU105C, GLU166A, GLU166C, GLU65A, GLU65C, GLU68A, GLU68C, GLU94A, GLU94C, GLU98A, GLU98C, GLY121A, GLY121C, GLY154A, GLY154C, GLY232C, GLY62A, GLY62C, HIS146A, HIS146C, HIS170A, HIS170C, ILE112A, ILE112C, ILE117A, ILE117C, ILE123A, ILE123C, ILE131A, ILE131C, ILE172A, ILE172C, LEU108A, LEU108C, LEU122A, LEU122C, LEU156A, LEU156C, LEU159A, LEU159C, LEU165A, LEU165C, LEU167A, LEU167C, LEU80A, LEU80C, LEU93A, LEU93C, LYS153A, LYS153C, LYS161A, LYS161C, LYS97A, LYS97C, MET158A, MET158C, MET163A, MET163C, PHE100A, PHE100C, PHE104A, PHE104C, PHE92A, PHE92C, PRO91A, PRO91C, SER103A, SER103C, SER115A, SER115C, SER139A, SER139C, SER147A, SER147C, SER151A, SER151C, THR144A, THR144C, THR152A, THR152C, THR160A, THR160C, THR96A, THR96C, TRP64A, TRP64C, TYR149A, TYR149C, VAL106A, VAL106C, VAL111A, VAL111C, VAL114A, VAL114C, VAL118A, VAL118C, VAL143A, VAL143C, VAL148A, VAL148C, VAL162A, VAL162C, VAL174A, VAL174C, VAL95A, VAL95C
• A-D: ALA164A, ALA164D, ALA210A, ALA210D, ALA218A, ALA218D, ALA243A, ALA243D, ALA26A, ALA26D, ARG141A, ARG141D, ARG173A, ARG173D, ARG203A, ARG203D, ARG226A, ARG226D, ASN175A, ASN175D, ASN178A, ASN202A, ASN202D, ASN217A, ASN217D, ASP157A, ASP157D, ASP225A, ASP225D, CYS244A, CYS244D, GLN137A, GLN137D, GLU166A, GLU166D, GLU211A, GLU211D, GLU213A, GLU213D, GLU238A, GLU238D, GLU2A, GLU2D, GLY129A, GLY129D, GLY168A, GLY168D, GLY207A, GLY207D, GLY228A, GLY228D, GLY232A, GLY232D, GLY239A, GLY239D, GLY240A, GLY240D, HIS170A, HIS170D, HIS214A, HIS214D, ILE172A, ILE172D, ILE204A, ILE204D, ILE219A, ILE219D, LEU165A, LEU165D, LEU167A, LEU167D, LEU201A, LEU201D, LEU206A, LEU206D, LEU220A, LEU220D, LEU222A, LEU222D, LEU235A, LEU235D, LEU3A, LEU3D, LEU5A, LEU5D, LYS161A, LYS161D, LYS171A, LYS171D, LYS208A, LYS208D, MET158A, MET158D, MET163A, MET163D, MET1A, MET1D, MET229A, MET229D, PHE209A, PHE209D, PHE221A, PHE221D, PHE241A, PHE241D, PHE4A, PHE4D, PRO169A, PRO169D, PRO179A, PRO179D, PRO205A, PRO205D, PRO236A, PRO236D, SER224A, SER224D, SER227A, SER227D, SER233A, SER233D, THR160A, THR160D, THR180A, THR180D, THR230A, THR230D, THR231A, THR231D, THR234A, THR234D, THR30A, THR30D, TRP242A, TRP242D, VAL162A, VAL162D, VAL174A, VAL174D, VAL177A, VAL177D, VAL181A, VAL181D, VAL182A, VAL182D, VAL215A, VAL215D, VAL216A, VAL216D, VAL237A, VAL237D
• B-C: ALA130B, ALA164B, ALA164C, ALA210B, ALA210C, ALA218B, ALA218C, ALA243B, ALA243C, ALA26B, ALA26C, ARG141B, ARG141C, ARG173B, ARG173C, ARG203B, ARG203C, ARG226B, ARG226C, ASN175B, ASN175C, ASN178C, ASN202B, ASN202C, ASN217B, ASN217C, ASP157B, ASP157C, ASP225B, ASP225C, CYS244B, CYS244C, GLN137B, GLN140B, GLN140C, GLU166B, GLU166C, GLU211B, GLU211C, GLU213B, GLU213C, GLU238B, GLU238C, GLU2B, GLU2C, GLY129B, GLY129C, GLY168B, GLY168C, GLY207B, GLY207C, GLY228B, GLY228C, GLY232B, GLY232C, GLY239B, GLY239C, GLY240B, GLY240C, HIS170B, HIS170C, HIS214B, HIS214C, ILE172B, ILE172C, ILE204B, ILE204C, ILE219B, ILE219C, LEU165B, LEU165C, LEU167B, LEU167C, LEU201B, LEU201C, LEU206B, LEU206C, LEU220B, LEU220C, LEU222B, LEU222C, LEU223B, LEU235B, LEU235C, LEU3B, LEU3C, LEU5B, LEU5C, LYS161B, LYS161C, LYS171B, LYS171C, LYS208B, LYS208C, MET158B, MET158C, MET163B, MET163C, MET1B, MET1C, MET229B, MET229C, PHE209B, PHE209C, PHE221B, PHE221C, PHE241B, PHE241C, PHE4B, PHE4C, PRO128B, PRO169B, PRO169C, PRO179B, PRO179C, PRO205B, PRO205C, PRO236B, PRO236C, SER224B, SER224C, SER227B, SER227C, SER233B, SER233C, THR160B, THR160C, THR180B, THR180C, THR230B, THR230C, THR231B, THR231C, THR234B, THR234C, THR30B, THR30C, TRP242B, TRP242C, VAL162B, VAL162C, VAL174B, VAL174C, VAL177B, VAL177C, VAL181B, VAL181C, VAL182B, VAL182C, VAL215B, VAL215C, VAL216B, VAL216C, VAL237B, VAL237C
• B-D: ALA110B, ALA110D, ALA119B, ALA119D, ALA124B, ALA124D, ALA142B, ALA142D, ALA155B, ALA155D, ALA164B, ALA164D, ALA66D, ALA99B, ALA99D, ARG102D, ARG109B, ARG109D, ARG120B, ARG120D, ARG141B, ARG141D, ARG203B, ARG203D, ASN107B, ASN107D, ASN133B, ASN133D, ASN145B, ASN145D, ASN82B, ASN82D, ASP101B, ASP101D, ASP157B, ASP157D, ASP63B, ASP63D, CYS138B, CYS138D, CYS150B, CYS150D, GLN113B, GLN113D, GLN116B, GLN116D, GLN137B, GLN137D, GLN140B, GLN140D, GLN90B, GLN90D, GLU105B, GLU105D, GLU166B, GLU166D, GLU65B, GLU65D, GLU68B, GLU68D, GLU94B, GLU94D, GLU98B, GLU98D, GLY121B, GLY121D, GLY154B, GLY154D, GLY232B, GLY62B, GLY62D, HIS146B, HIS146D, HIS170B, HIS170D, ILE112B, ILE112D, ILE117B, ILE117D, ILE123B, ILE123D, ILE131B, ILE131D, ILE172B, ILE172D, LEU108B, LEU108D, LEU122B, LEU122D, LEU156B, LEU156D, LEU159B, LEU159D, LEU165B, LEU165D, LEU167B, LEU167D, LEU80B, LEU80D, LEU93B, LEU93D, LYS153B, LYS153D, LYS161B, LYS161D, LYS97B, LYS97D, MET158B, MET158D, MET163B, MET163D, PHE100B, PHE100D, PHE104B, PHE104D, PHE92B, PHE92D, PRO91B, PRO91D, SER103B, SER103D, SER115B, SER115D, SER139B, SER139D, SER147B, SER147D, SER151B, SER151D, THR144B, THR144D, THR152B, THR152D, THR160B, THR160D, THR96B, THR96D, TRP64B, TRP64D, TYR149B, TYR149D, VAL106B, VAL106D, VAL111B, VAL111D, VAL114B, VAL114D, VAL118B, VAL118D, VAL143B, VAL143D, VAL148B, VAL148D, VAL162B, VAL162D, VAL174B, VAL174D, VAL95B, VAL95D
• C-D: ALA142C, ALA142D, ALA243C, ALA243D, ARG141C, ARG141D, ARG203C, ARG203D, ASN202C, ASN202D, CYS138C, CYS138D, CYS244C, CYS244D, GLN137C, GLN140C, GLN140D, GLY240C, GLY240D, ILE204C, PHE241C, PHE241D, PRO205C, PRO205D, THR144C, THR144D, THR199C, THR199D, TRP242C, TRP242D, VAL143C, VAL143D