3NL5

the crystal structure of candida glabrata thi6, a bifunctional enzyme involved in thiamin biosyhthesis of eukaryotes

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 99
  • Norm. En. per Res.: -2.9885
• Hub Node: A(2)

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	-32.9731	-57.3863	-205.507	-295.8664	99	16	2	8569	5	14	14
A-C	-16.0911	-29.6306	-197.874	-243.5957	99	23	2	8752	5	14	13
B-C	-16.4414	-47.7309	-217.583	-281.7553	97	23	2	8736	5	14	15

Interface residues

• A-B: ALA280A, ALA285A, ALA303A, ALA304A, ALA318A, ALA318B, ALA346B, ALA463B, ALA520A, ARG264A, ARG350B, ARG523A, ARG526A, ASN272A, ASN272B, ASN277A, ASN277B, ASN281A, ASN300A, ASN508B, ASP301A, ASP460B, ASP519A, CYS507B, GLN268A, GLN276A, GLN276B, GLN296A, GLN514A, GLN514B, GLU294A, GLU298A, GLU348B, GLU456B, GLU516A, GLU516B, GLY279A, GLY279B, GLY287A, GLY315B, GLY343B, GLY459B, GLY509B, GLY511A, GLY511B, HIS269A, HIS275A, HIS275B, ILE291A, ILE295A, ILE305A, ILE457B, ILE461B, ILE518A, LEU266A, LEU284A, LEU286A, LEU302A, LEU351B, LEU352B, LEU353B, LEU517A, LEU521A, LYS273A, LYS273B, LYS506A, MET292A, MET458B, PHE278A, PHE278B, PHE513B, PRO290A, PRO319A, SER288A, SER289A, SER293A, SER297A, SER316B, SER464B, SER510B, SER512A, SER512B, THR271A, THR283A, THR314B, THR347B, THR349B, THR462B, TYR344B, TYR522A, VAL274A, VAL274B, VAL282A, VAL299A, VAL317A, VAL317B, VAL342B, VAL515A, VAL515B
• A-C: ALA280C, ALA285C, ALA303C, ALA304C, ALA318C, ALA346A, ALA463A, ALA520C, ARG264C, ARG350A, ARG523C, ARG526C, ASN272A, ASN272C, ASN277A, ASN277C, ASN281C, ASN300C, ASN508A, ASP301C, ASP460A, ASP519C, CYS507A, GLN268C, GLN276A, GLN276C, GLN296C, GLN514A, GLN514C, GLU294C, GLU298C, GLU348A, GLU456A, GLU516A, GLU516C, GLY279A, GLY279C, GLY287C, GLY315A, GLY343A, GLY459A, GLY465A, GLY509A, GLY511A, GLY511C, HIS269C, HIS275A, HIS275C, ILE291C, ILE295C, ILE305C, ILE455A, ILE457A, ILE461A, ILE518C, LEU266C, LEU284C, LEU286C, LEU302C, LEU351A, LEU352A, LEU353A, LEU517C, LEU521C, LYS273A, LYS273C, LYS506C, MET292C, MET458A, PHE278A, PHE278C, PHE513A, PRO290C, PRO319C, SER288C, SER289C, SER293C, SER297C, SER316A, SER345A, SER464A, SER510A, SER512A, SER512C, THR271C, THR283C, THR314A, THR347A, THR349A, THR462A, TYR522C, VAL274A, VAL282C, VAL299C, VAL317A, VAL317C, VAL342A, VAL515A, VAL515C
• B-C: ALA280B, ALA285B, ALA303B, ALA304B, ALA318B, ALA346C, ALA463C, ALA520B, ARG264B, ARG350C, ARG523B, ARG526B, ASN272B, ASN272C, ASN277B, ASN277C, ASN281B, ASN300B, ASN508C, ASP301B, ASP460C, ASP519B, CYS507C, GLN268B, GLN276B, GLN276C, GLN296B, GLN514B, GLN514C, GLU294B, GLU298B, GLU348C, GLU456C, GLU516B, GLU516C, GLY279B, GLY279C, GLY287B, GLY315C, GLY343C, GLY459C, GLY509C, GLY511B, GLY511C, HIS269B, HIS275B, HIS275C, ILE291B, ILE295B, ILE305B, ILE457C, ILE461C, ILE518B, ILE518C, LEU266B, LEU284B, LEU286B, LEU302B, LEU351C, LEU353C, LEU517B, LEU521B, LYS273B, LYS273C, LYS506B, MET292B, MET458C, PHE278B, PHE278C, PHE513C, PRO290B, PRO319B, SER288B, SER289B, SER293B, SER297B, SER316C, SER345C, SER464C, SER510C, SER512B, SER512C, THR271B, THR283B, THR314C, THR347C, THR349C, THR462C, TYR522B, VAL274C, VAL282B, VAL299B, VAL317B, VAL317C, VAL342C, VAL515B, VAL515C