1R38

crystal structure of h114a mutant of candida tenuis xylose reductase

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 115
  • Norm. En. per Res.: -3.3936
• Hub Node: A(1)

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	-40.7757	2.3558	-351.844	-390.264	115	12	10	13988	0	28	28
B-D	0.0	28.1624	-15.5324	12.63	14	0	0	871	0	14	13
C-D	-45.4583	2.7013	-353.853	-396.61	118	8	10	14054	0	28	27

Interface residues

• A-B: ALA118A, ALA118B, ALA174A, ALA174B, ALA183A, ALA183B, ALA207A, ALA207B, ALA210A, ALA210B, ARG181A, ARG181B, ARG232A, ARG232B, ARG308A, ARG308B, ASN170A, ASN170B, ASN317A, ASN317B, ASN84A, ASN84B, ASP144A, ASP144B, ASP178A, ASP178B, ASP311A, ASP311B, ASP314A, ASP314B, ASP316A, ASP316B, GLN200A, GLN200B, GLU143A, GLU143B, GLU149A, GLU149B, GLU205A, GLU205B, GLY173A, GLY173B, GLY182A, GLY182B, HIS87A, HIS87B, ILE113A, ILE113B, ILE117A, ILE117B, ILE147A, ILE147B, ILE204A, ILE204B, ILE318A, ILE318B, ILE320A, ILE320B, LEU148A, LEU148B, LEU175A, LEU175B, LEU176A, LEU176B, LEU177A, LEU177B, LEU179A, LEU179B, LEU180A, LEU180B, LEU190A, LEU190B, LEU203A, LEU203B, LYS152A, LYS152B, LYS186A, LYS186B, LYS202A, LYS202B, LYS209A, LYS209B, PHE115A, PHE115B, PHE119A, PHE119B, PHE171A, PHE171B, PHE206A, PHE206B, PHE321A, PHE321B, PRO116A, PRO116B, PRO146A, PRO146B, PRO172A, PRO172B, PRO201A, PRO201B, PRO312A, PRO312B, PRO319A, PRO319B, THR150A, THR150B, TRP313A, TRP313B, TYR142A, TYR142B, VAL145A, VAL145B, VAL192A, VAL322A, VAL322B
• B-D: ARG64B, ARG64D, ASP67B, ASP67D, GLU33B, GLU33D, GLU68B, GLU68D, LEU70B, LEU70D, LYS40B, LYS40D, TYR36B, TYR36D
• C-D: ALA118C, ALA118D, ALA174C, ALA174D, ALA183C, ALA183D, ALA207C, ALA207D, ALA210C, ALA210D, ARG181C, ARG181D, ARG232C, ARG232D, ARG308C, ARG308D, ASN170C, ASN170D, ASN317C, ASN317D, ASN84C, ASN84D, ASP144C, ASP144D, ASP178C, ASP178D, ASP311C, ASP311D, ASP314C, ASP314D, ASP316C, ASP316D, GLN200C, GLN200D, GLU143C, GLU143D, GLU149C, GLU149D, GLU205C, GLU205D, GLY173C, GLY173D, GLY182C, GLY182D, HIS87C, HIS87D, ILE113C, ILE113D, ILE117C, ILE117D, ILE147C, ILE147D, ILE204C, ILE204D, ILE318C, ILE318D, ILE320C, ILE320D, LEU148C, LEU148D, LEU175C, LEU175D, LEU176C, LEU176D, LEU177C, LEU177D, LEU179C, LEU179D, LEU180C, LEU180D, LEU190C, LEU190D, LEU203C, LEU203D, LYS152C, LYS152D, LYS186C, LYS186D, LYS202C, LYS202D, LYS209C, LYS209D, PHE115C, PHE115D, PHE119C, PHE119D, PHE140C, PHE140D, PHE171C, PHE171D, PHE206C, PHE206D, PHE321C, PHE321D, PRO116C, PRO116D, PRO146C, PRO146D, PRO172C, PRO172D, PRO201C, PRO201D, PRO312C, PRO312D, PRO319C, PRO319D, THR150C, THR150D, TRP313C, TRP313D, TYR142C, TYR142D, VAL145C, VAL145D, VAL192C, VAL192D, VAL322C, VAL322D