Phosphorus in PDB 1adc: Crystallographic Studies of Isosteric Nad Analogues Bound to Alcohol Dehydrogenase: Specificity and Substrate Binding in Two Ternary Complexes
Enzymatic activity of Crystallographic Studies of Isosteric Nad Analogues Bound to Alcohol Dehydrogenase: Specificity and Substrate Binding in Two Ternary Complexes
All present enzymatic activity of Crystallographic Studies of Isosteric Nad Analogues Bound to Alcohol Dehydrogenase: Specificity and Substrate Binding in Two Ternary Complexes:
1.1.1.1;
Protein crystallography data
The structure of Crystallographic Studies of Isosteric Nad Analogues Bound to Alcohol Dehydrogenase: Specificity and Substrate Binding in Two Ternary Complexes, PDB code: 1adc
was solved by
H.Li,
W.A.Hallows,
J.S.Punzi,
K.W.Pankiewicz,
K.A.Watanabe,
B.M.Goldstein,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
N/A /
2.70
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
51.900,
44.800,
93.000,
103.10,
87.80,
70.40
|
R / Rfree (%)
|
17 /
n/a
|
Phosphorus Binding Sites:
The binding sites of Phosphorus atom in the Crystallographic Studies of Isosteric Nad Analogues Bound to Alcohol Dehydrogenase: Specificity and Substrate Binding in Two Ternary Complexes
(pdb code 1adc). This binding sites where shown within
5.0 Angstroms radius around Phosphorus atom.
In total 4 binding sites of Phosphorus where determined in the
Crystallographic Studies of Isosteric Nad Analogues Bound to Alcohol Dehydrogenase: Specificity and Substrate Binding in Two Ternary Complexes, PDB code: 1adc:
Jump to Phosphorus binding site number:
1;
2;
3;
4;
Phosphorus binding site 1 out
of 4 in 1adc
Go back to
Phosphorus Binding Sites List in 1adc
Phosphorus binding site 1 out
of 4 in the Crystallographic Studies of Isosteric Nad Analogues Bound to Alcohol Dehydrogenase: Specificity and Substrate Binding in Two Ternary Complexes
Mono view
Stereo pair view
|
A full contact list of Phosphorus with other atoms in the P binding
site number 1 of Crystallographic Studies of Isosteric Nad Analogues Bound to Alcohol Dehydrogenase: Specificity and Substrate Binding in Two Ternary Complexes within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:P377
b:10.2
occ:1.00
|
PA
|
A:PAD377
|
0.0
|
10.2
|
1.0
|
O2A
|
A:PAD377
|
1.5
|
11.9
|
1.0
|
O1A
|
A:PAD377
|
1.5
|
2.0
|
1.0
|
O3
|
A:PAD377
|
1.6
|
2.0
|
1.0
|
O5B
|
A:PAD377
|
1.6
|
21.0
|
1.0
|
C5B
|
A:PAD377
|
2.7
|
18.8
|
1.0
|
PN
|
A:PAD377
|
2.8
|
10.3
|
1.0
|
O2N
|
A:PAD377
|
3.2
|
13.4
|
1.0
|
HH11
|
A:ARG47
|
3.3
|
15.0
|
1.0
|
O1N
|
A:PAD377
|
3.7
|
14.9
|
1.0
|
CD
|
A:ARG47
|
3.8
|
2.0
|
1.0
|
C4B
|
A:PAD377
|
3.9
|
11.9
|
1.0
|
H
|
A:GLY202
|
4.0
|
15.0
|
1.0
|
O5D
|
A:PAD377
|
4.0
|
15.7
|
1.0
|
C3B
|
A:PAD377
|
4.1
|
8.9
|
1.0
|
CA
|
A:GLY201
|
4.2
|
3.8
|
1.0
|
NH1
|
A:ARG47
|
4.3
|
10.8
|
1.0
|
CB
|
A:ARG47
|
4.3
|
2.0
|
1.0
|
C5D
|
A:PAD377
|
4.4
|
8.7
|
1.0
|
CG
|
A:ARG47
|
4.5
|
2.0
|
1.0
|
HH12
|
A:ARG369
|
4.7
|
15.0
|
1.0
|
N
|
A:GLY202
|
4.8
|
3.8
|
1.0
|
H
|
A:GLY201
|
4.8
|
15.0
|
1.0
|
O3B
|
A:PAD377
|
4.8
|
12.1
|
1.0
|
NE
|
A:ARG47
|
4.9
|
2.0
|
1.0
|
HH12
|
A:ARG47
|
4.9
|
15.0
|
1.0
|
N
|
A:GLY201
|
4.9
|
10.3
|
1.0
|
C
|
A:GLY201
|
5.0
|
5.7
|
1.0
|
|
Phosphorus binding site 2 out
of 4 in 1adc
Go back to
Phosphorus Binding Sites List in 1adc
Phosphorus binding site 2 out
of 4 in the Crystallographic Studies of Isosteric Nad Analogues Bound to Alcohol Dehydrogenase: Specificity and Substrate Binding in Two Ternary Complexes
Mono view
Stereo pair view
|
A full contact list of Phosphorus with other atoms in the P binding
site number 2 of Crystallographic Studies of Isosteric Nad Analogues Bound to Alcohol Dehydrogenase: Specificity and Substrate Binding in Two Ternary Complexes within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:P377
b:10.3
occ:1.00
|
PN
|
A:PAD377
|
0.0
|
10.3
|
1.0
|
O1N
|
A:PAD377
|
1.5
|
14.9
|
1.0
|
O2N
|
A:PAD377
|
1.5
|
13.4
|
1.0
|
O3
|
A:PAD377
|
1.6
|
2.0
|
1.0
|
O5D
|
A:PAD377
|
1.6
|
15.7
|
1.0
|
C5D
|
A:PAD377
|
2.7
|
8.7
|
1.0
|
PA
|
A:PAD377
|
2.8
|
10.2
|
1.0
|
O2A
|
A:PAD377
|
3.1
|
11.9
|
1.0
|
O5B
|
A:PAD377
|
3.2
|
21.0
|
1.0
|
H
|
A:VAL203
|
3.4
|
15.0
|
1.0
|
HH12
|
A:ARG369
|
3.5
|
15.0
|
1.0
|
H
|
A:ARG47
|
3.5
|
15.0
|
1.0
|
CB
|
A:ARG47
|
3.6
|
2.0
|
1.0
|
CG2
|
A:VAL203
|
3.6
|
14.4
|
1.0
|
C4D
|
A:PAD377
|
3.9
|
4.8
|
1.0
|
H
|
A:GLY202
|
4.0
|
15.0
|
1.0
|
HH22
|
A:ARG369
|
4.1
|
15.0
|
1.0
|
O1A
|
A:PAD377
|
4.1
|
2.0
|
1.0
|
C3D
|
A:PAD377
|
4.2
|
4.2
|
1.0
|
N
|
A:VAL203
|
4.3
|
11.0
|
1.0
|
C5B
|
A:PAD377
|
4.3
|
18.8
|
1.0
|
N
|
A:ARG47
|
4.4
|
6.3
|
1.0
|
CB
|
A:VAL203
|
4.4
|
11.5
|
1.0
|
N
|
A:GLY202
|
4.5
|
3.8
|
1.0
|
NH1
|
A:ARG369
|
4.5
|
2.5
|
1.0
|
CG
|
A:ARG47
|
4.5
|
2.0
|
1.0
|
O4D
|
A:PAD377
|
4.6
|
2.0
|
1.0
|
CA
|
A:ARG47
|
4.6
|
3.0
|
1.0
|
CD
|
A:ARG47
|
4.7
|
2.0
|
1.0
|
C2D
|
A:PAD377
|
4.7
|
3.2
|
1.0
|
H
|
A:GLY204
|
4.8
|
15.0
|
1.0
|
NH2
|
A:ARG369
|
4.9
|
4.4
|
1.0
|
|
Phosphorus binding site 3 out
of 4 in 1adc
Go back to
Phosphorus Binding Sites List in 1adc
Phosphorus binding site 3 out
of 4 in the Crystallographic Studies of Isosteric Nad Analogues Bound to Alcohol Dehydrogenase: Specificity and Substrate Binding in Two Ternary Complexes
Mono view
Stereo pair view
|
A full contact list of Phosphorus with other atoms in the P binding
site number 3 of Crystallographic Studies of Isosteric Nad Analogues Bound to Alcohol Dehydrogenase: Specificity and Substrate Binding in Two Ternary Complexes within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:P377
b:16.3
occ:1.00
|
PA
|
B:PAD377
|
0.0
|
16.3
|
1.0
|
O1A
|
B:PAD377
|
1.5
|
4.1
|
1.0
|
O2A
|
B:PAD377
|
1.5
|
9.2
|
1.0
|
O5B
|
B:PAD377
|
1.6
|
15.9
|
1.0
|
O3
|
B:PAD377
|
1.6
|
11.1
|
1.0
|
C5B
|
B:PAD377
|
2.7
|
12.7
|
1.0
|
PN
|
B:PAD377
|
3.0
|
10.6
|
1.0
|
HH11
|
B:ARG47
|
3.1
|
15.0
|
1.0
|
O2N
|
B:PAD377
|
3.4
|
9.2
|
1.0
|
CD
|
B:ARG47
|
3.7
|
2.0
|
1.0
|
O1N
|
B:PAD377
|
3.8
|
16.2
|
1.0
|
C4B
|
B:PAD377
|
3.9
|
10.5
|
1.0
|
O5D
|
B:PAD377
|
4.0
|
13.2
|
1.0
|
NH1
|
B:ARG47
|
4.1
|
4.5
|
1.0
|
CB
|
B:ARG47
|
4.2
|
9.8
|
1.0
|
H
|
B:GLY202
|
4.2
|
15.0
|
1.0
|
CD2
|
B:LEU362
|
4.2
|
3.9
|
1.0
|
CG
|
B:ARG47
|
4.2
|
6.9
|
1.0
|
C5D
|
B:PAD377
|
4.2
|
8.3
|
1.0
|
CA
|
B:GLY201
|
4.2
|
5.2
|
1.0
|
C3B
|
B:PAD377
|
4.3
|
14.2
|
1.0
|
HH12
|
B:ARG47
|
4.6
|
15.0
|
1.0
|
HZ1
|
B:LYS228
|
4.7
|
15.0
|
1.0
|
NE
|
B:ARG47
|
4.7
|
2.0
|
1.0
|
HH12
|
B:ARG369
|
4.8
|
15.0
|
1.0
|
CZ
|
B:ARG47
|
4.9
|
2.0
|
1.0
|
HZ2
|
B:LYS228
|
4.9
|
15.0
|
1.0
|
H
|
B:ARG47
|
4.9
|
15.0
|
1.0
|
N
|
B:GLY202
|
5.0
|
2.0
|
1.0
|
O4B
|
B:PAD377
|
5.0
|
8.9
|
1.0
|
|
Phosphorus binding site 4 out
of 4 in 1adc
Go back to
Phosphorus Binding Sites List in 1adc
Phosphorus binding site 4 out
of 4 in the Crystallographic Studies of Isosteric Nad Analogues Bound to Alcohol Dehydrogenase: Specificity and Substrate Binding in Two Ternary Complexes
Mono view
Stereo pair view
|
A full contact list of Phosphorus with other atoms in the P binding
site number 4 of Crystallographic Studies of Isosteric Nad Analogues Bound to Alcohol Dehydrogenase: Specificity and Substrate Binding in Two Ternary Complexes within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:P377
b:10.6
occ:1.00
|
PN
|
B:PAD377
|
0.0
|
10.6
|
1.0
|
O2N
|
B:PAD377
|
1.5
|
9.2
|
1.0
|
O1N
|
B:PAD377
|
1.5
|
16.2
|
1.0
|
O3
|
B:PAD377
|
1.6
|
11.1
|
1.0
|
O5D
|
B:PAD377
|
1.6
|
13.2
|
1.0
|
C5D
|
B:PAD377
|
2.8
|
8.3
|
1.0
|
PA
|
B:PAD377
|
3.0
|
16.3
|
1.0
|
HH12
|
B:ARG369
|
3.3
|
15.0
|
1.0
|
O2A
|
B:PAD377
|
3.3
|
9.2
|
1.0
|
H
|
B:ARG47
|
3.4
|
15.0
|
1.0
|
CG2
|
B:VAL203
|
3.5
|
16.9
|
1.0
|
H
|
B:VAL203
|
3.5
|
15.0
|
1.0
|
CB
|
B:ARG47
|
3.6
|
9.8
|
1.0
|
O5B
|
B:PAD377
|
3.6
|
15.9
|
1.0
|
H
|
B:GLY202
|
3.8
|
15.0
|
1.0
|
HH22
|
B:ARG369
|
4.0
|
15.0
|
1.0
|
O1A
|
B:PAD377
|
4.1
|
4.1
|
1.0
|
C4D
|
B:PAD377
|
4.1
|
3.5
|
1.0
|
NH1
|
B:ARG369
|
4.2
|
12.0
|
1.0
|
N
|
B:ARG47
|
4.3
|
11.2
|
1.0
|
N
|
B:GLY202
|
4.4
|
2.0
|
1.0
|
N
|
B:VAL203
|
4.5
|
7.1
|
1.0
|
CG
|
B:ARG47
|
4.5
|
6.9
|
1.0
|
CA
|
B:ARG47
|
4.6
|
6.5
|
1.0
|
C3D
|
B:PAD377
|
4.6
|
2.0
|
1.0
|
C5B
|
B:PAD377
|
4.6
|
12.7
|
1.0
|
HH11
|
B:ARG369
|
4.7
|
15.0
|
1.0
|
CB
|
B:VAL203
|
4.7
|
13.4
|
1.0
|
O4D
|
B:PAD377
|
4.8
|
8.6
|
1.0
|
CG1
|
B:VAL203
|
4.8
|
18.5
|
1.0
|
NH2
|
B:ARG369
|
4.8
|
17.7
|
1.0
|
H
|
B:GLY204
|
4.8
|
15.0
|
1.0
|
CA
|
B:GLY201
|
4.8
|
5.2
|
1.0
|
CD
|
B:ARG47
|
4.9
|
2.0
|
1.0
|
C2D
|
B:PAD377
|
4.9
|
6.1
|
1.0
|
CZ
|
B:ARG369
|
5.0
|
13.0
|
1.0
|
|
Reference:
H.Li,
W.H.Hallows,
J.S.Punzi,
K.W.Pankiewicz,
K.A.Watanabe,
B.M.Goldstein.
Crystallographic Studies of Isosteric Nad Analogues Bound to Alcohol Dehydrogenase: Specificity and Substrate Binding in Two Ternary Complexes. Biochemistry V. 33 11734 1994.
ISSN: ISSN 0006-2960
PubMed: 7918390
DOI: 10.1021/BI00205A009
Page generated: Fri Sep 25 12:45:42 2020
|