Title
BINDING OF TWO SUBSTRATE ANALOGUE MOLECULES TO DIHYDROFLAVONOL 4-REDUCTASE ALTERS THE FUNCTIONAL GEOMETRY OF THE CATALYTIC SITE
Structure Summary
PDB ID |
Mutant |
OPM |
Pub Med |
Method/Resolution |
HETNAM |
3c1t |
|
|
18645237 |
X-RAY DIFFRACTION/2.25 |
MYC:3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE NAP:NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
|
Chain Formula |
Amino Acid sequence |
SCOPe Family Level |
CATH Homology Level |
[A2] |
[A2] |
[A2] |
Interfaces
Interface ID |
Chain |
Inaterface Class |
Interface Type |
Contact Type |
3c1t_AB |
A B |
HEN
HEN |
i19_CR(H9,E6,N18)_CE(H3,E3,N6,B1)_HH(S1)_EE(Ah1)_HE(S1)_HN(L1,S4)_EN(S4)
i19_CR(H9,E6,N18)_CE(H3,E3,N6,B1)_HH(S1)_EE(Ah1)_HE(S1)_HN(L1,S4)_EN(S4)
|
c6_RP(HH5,EE2,NN20,HE4,HN9,NE5,EH3,NH8,EN5)_HH(S1)_EE(S1)_HE(S2)_HN(L1,S5)_EN(L1,S4)
c6_RP(HH5,EE2,NN20,HE4,HN9,NE5,EH3,NH8,EN5)_HH(S1)_EE(S1)_HE(S2)_HN(L1,S5)_EN(L1,S4)
|
Interface Class
Interface ID |
Interface 1 |
Interface 2 |
Domain |
Number of contact residues |
Binding site Class |
Percentages of Secondary structures(%) |
Domain |
Number of contact residues |
Binding site Class |
Percentages of Secondary structures(%) |
H |
E |
N |
H |
E |
N |
3c1t_AB |
A |
13 |
HEN |
46.2 |
100 |
30.8 |
B |
13 |
HEN |
46.2 |
23.1 |
30.8 |
Interface Type: Information for each interface
Interface ID |
chain |
Number of contact residues |
Number of elements |
Number of contacts between Secondary structure elements |
HH |
EE |
HE |
HN |
EN |
Hn |
En |
Nn |
H |
E |
N |
R |
L |
P |
A |
S |
P |
A |
S |
Ph |
Ah |
Ih |
P |
A |
S |
L |
S |
L |
S |
3c1t_AB |
A |
6 |
13 |
4 |
2 |
1 |
3 |
0 |
1 |
0 |
0 |
1 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
2 |
0 |
2 |
0 |
0 |
3c1t_AB |
B |
6 |
3 |
4 |
2 |
1 |
3 |
0 |
1 |
0 |
0 |
1 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
2 |
0 |
2 |
0 |
0 |
Contact Type: Information of contacts between interfaces
Interface ID |
Number of residue pairs between SS elements |
Number of contacts between Secondary structure elements |
H-H |
E-E |
N-N |
H-E |
H-N |
N-E |
E-H |
N-H |
E-N |
H-H |
E-E |
H-E |
H-N |
E-N |
P |
A |
S |
Ih |
P |
A |
S |
IPh |
IAh |
P |
A |
S |
Ih |
L |
S |
Ih |
L |
S |
Ih |
3c1t_AB |
13 |
0 |
4 |
3 |
2 |
1 |
3 |
2 |
2 |
0 |
1 |
2 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
2 |
0 |
0 |
4 |
0 |
0 |
2 |
2 |
Structual Classification
SCOPe
CATH