Title
CRYSTAL STRUCTURE OF THE 3-ALPHA-HYDROXYSTEROID DEHYDROGENASE FROM PSEUDOMONAS SP. B-0831 COMPLEXED WITH NADH
Structure Summary
PDB ID |
Mutant |
OPM |
Pub Med |
Method/Resolution |
HETNAM |
2dkn |
|
|
16905772 |
X-RAY DIFFRACTION/1.8 |
NAI:1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE
|
Chain Formula |
Amino Acid sequence |
SCOPe Family Level |
CATH Homology Level |
[A2] |
[A2] |
[A2] |
Interfaces
Interface ID |
Chain |
Inaterface Class |
Interface Type |
Contact Type |
2dkn_AB |
A B |
HEN
HEN |
i10_CR(H13,E4,N30)_CE(H3,E2,N7)_HH(S1)_EE(Ah1)_HE(S1)_HN(L2,S5)_EN(S5)
i9_CR(H8,E4,N12)_CE(H2,E2,N4)_HE(S1)_HN(L1,S3)_EN(S2)
|
c4_RP(HH10,EE2,NN51,HE1,HN21,NE9,EH2,NH21,EN10)_HH(P1,S2)_EE(S1)_HE(S1)_HN(L4,S7)_EN(L2,S4)
c8_RP(HH4,EE1,NN44,HN12,NE5,NH11,EN5)_HH(S1)_HN(L3,S4)_EN(L1,S3)
|
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 |
2dkn_AB |
A |
44 |
HEN |
34.1 |
100 |
54.5 |
B |
42 |
HEN |
35.7 |
9.5 |
54.8 |
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 |
2dkn_AB |
A |
15 |
44 |
24 |
4 |
2 |
6 |
0 |
0 |
0 |
0 |
1 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
3 |
2 |
7 |
1 |
4 |
2dkn_AB |
B |
15 |
4 |
23 |
5 |
1 |
5 |
0 |
0 |
0 |
0 |
2 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
3 |
2 |
7 |
0 |
4 |
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 |
2dkn_AB |
15 |
2 |
36 |
1 |
23 |
9 |
1 |
22 |
8 |
0 |
1 |
4 |
0 |
0 |
1 |
0 |
0 |
0 |
0 |
0 |
2 |
0 |
5 |
6 |
0 |
2 |
3 |
0 |
Structual Classification
SCOPe
CATH