Phosphorus in PDB 1adb: 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: 1adb 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 / 2.40
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 52.100, 44.700, 93.500, 103.30, 87.90, 70.40
R / Rfree (%) 18 / 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 1adb). 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: 1adb:
Jump to Phosphorus binding site number: 1; 2; 3; 4;

Phosphorus binding site 1 out of 4 in 1adb

Go back to Phosphorus Binding Sites List in 1adb
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:6.5
occ:1.00
 PA A:CND377 0.0 6.5 1.0
O2A A:CND377 1.5 12.4 1.0
O1A A:CND377 1.5 11.2 1.0
O3 A:CND377 1.6 2.0 1.0
O5B A:CND377 1.6 11.0 1.0
C5B A:CND377 2.6 7.8 1.0
PN A:CND377 2.9 2.0 1.0
O2N A:CND377 3.4 10.3 1.0
HH11 A:ARG47 3.5 15.0 1.0
O1N A:CND377 3.6 10.2 1.0
C4B A:CND377 3.8 8.7 1.0
CA A:GLY201 4.1 2.2 1.0
O5D A:CND377 4.1 11.0 1.0
CD A:ARG47 4.1 2.0 1.0
C3B A:CND377 4.2 10.3 1.0
C5D A:CND377 4.4 8.3 1.0
H A:GLY202 4.4 15.0 1.0
NH1 A:ARG47 4.5 9.6 1.0
CB A:ARG47 4.5 2.1 1.0
CD1 A:LEU362 4.6 8.9 1.0
HH12 A:ARG369 4.6 15.0 1.0
H1 A:HOH393 4.8 15.0 1.0
N A:GLY201 4.8 11.5 1.0
CG A:ARG47 4.8 2.0 1.0
H A:GLY201 4.9 15.0 1.0
HH12 A:ARG47 5.0 15.0 1.0
C A:GLY201 5.0 2.2 1.0
N A:GLY202 5.0 4.8 1.0
O4B A:CND377 5.0 10.4 1.0

Phosphorus binding site 2 out of 4 in 1adb

Go back to Phosphorus Binding Sites List in 1adb
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:2.0
occ:1.00
 PN A:CND377 0.0 2.0 1.0
O1N A:CND377 1.5 10.2 1.0
O2N A:CND377 1.5 10.3 1.0
O3 A:CND377 1.6 2.0 1.0
O5D A:CND377 1.6 11.0 1.0
C5D A:CND377 2.6 8.3 1.0
PA A:CND377 2.9 6.5 1.0
HH12 A:ARG369 3.1 15.0 1.0
O2A A:CND377 3.3 12.4 1.0
H A:VAL203 3.4 15.0 1.0
O5B A:CND377 3.4 11.0 1.0
H A:ARG47 3.4 15.0 1.0
HH22 A:ARG369 3.7 15.0 1.0
CG2 A:VAL203 3.7 3.4 1.0
CB A:ARG47 3.9 2.1 1.0
C4D A:CND377 3.9 2.0 1.0
O1A A:CND377 4.1 11.2 1.0
NH1 A:ARG369 4.1 2.7 1.0
CB A:VAL203 4.2 8.1 1.0
N A:ARG47 4.2 2.4 1.0
H A:GLY202 4.3 15.0 1.0
N A:VAL203 4.3 5.8 1.0
C3D A:CND377 4.4 3.7 1.0
O4D A:CND377 4.5 2.0 1.0
C5B A:CND377 4.6 7.8 1.0
N A:GLY202 4.6 4.8 1.0
NH2 A:ARG369 4.6 2.2 1.0
CA A:ARG47 4.7 4.6 1.0
C2D A:CND377 4.7 2.0 1.0
H A:GLY204 4.7 15.0 1.0
HH11 A:ARG369 4.7 15.0 1.0
CA A:GLY201 4.8 2.2 1.0
CZ A:ARG369 4.9 2.0 1.0
C A:GLY201 4.9 2.2 1.0
CA A:VAL203 4.9 4.8 1.0

Phosphorus binding site 3 out of 4 in 1adb

Go back to Phosphorus Binding Sites List in 1adb
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:13.9
occ:1.00
 PA B:CND377 0.0 13.9 1.0
O1A B:CND377 1.5 10.7 1.0
O2A B:CND377 1.5 15.0 1.0
O5B B:CND377 1.6 11.7 1.0
O3 B:CND377 1.6 14.8 1.0
C5B B:CND377 2.7 4.6 1.0
PN B:CND377 3.1 15.4 1.0
HH11 B:ARG47 3.3 15.0 1.0
O2N B:CND377 3.5 14.9 1.0
C4B B:CND377 3.8 5.7 1.0
O1N B:CND377 3.9 7.5 1.0
CA B:GLY201 3.9 10.2 1.0
O5D B:CND377 4.1 5.9 1.0
C3B B:CND377 4.1 7.5 1.0
CD B:ARG47 4.1 15.3 1.0
H B:GLY202 4.2 15.0 1.0
NH1 B:ARG47 4.2 11.3 1.0
CD2 B:LEU362 4.2 15.5 1.0
C5D B:CND377 4.3 8.9 1.0
H1 B:HOH384 4.4 15.0 1.0
CB B:ARG47 4.4 10.3 1.0
CG B:ARG47 4.5 7.8 1.0
O B:HOH384 4.5 2.4 1.0
H B:GLY201 4.6 15.0 1.0
HH12 B:ARG47 4.6 15.0 1.0
O3B B:CND377 4.6 12.7 1.0
N B:GLY201 4.7 10.1 1.0
HZ1 B:LYS228 4.8 15.0 1.0
HH12 B:ARG369 4.8 15.0 1.0
N B:GLY202 4.9 12.1 1.0
C B:GLY201 4.9 9.9 1.0

Phosphorus binding site 4 out of 4 in 1adb

Go back to Phosphorus Binding Sites List in 1adb
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:15.4
occ:1.00
 PN B:CND377 0.0 15.4 1.0
O2N B:CND377 1.5 14.9 1.0
O1N B:CND377 1.5 7.5 1.0
O3 B:CND377 1.6 14.8 1.0
O5D B:CND377 1.6 5.9 1.0
C5D B:CND377 2.7 8.9 1.0
HH12 B:ARG369 2.9 15.0 1.0
PA B:CND377 3.1 13.9 1.0
H B:ARG47 3.3 15.0 1.0
H B:VAL203 3.4 15.0 1.0
O2A B:CND377 3.6 15.0 1.0
CB B:ARG47 3.7 10.3 1.0
H B:GLY202 3.9 15.0 1.0
HH22 B:ARG369 3.9 15.0 1.0
CG2 B:VAL203 3.9 13.4 1.0
NH1 B:ARG369 3.9 23.4 1.0
H1 B:HOH384 3.9 15.0 1.0
O5B B:CND377 3.9 11.7 1.0
CG1 B:VAL203 3.9 2.0 1.0
O1A B:CND377 3.9 10.7 1.0
C4D B:CND377 4.0 6.7 1.0
O B:HOH384 4.0 2.4 1.0
N B:ARG47 4.2 11.6 1.0
N B:VAL203 4.3 5.6 1.0
O4D B:CND377 4.4 8.8 1.0
N B:GLY202 4.4 12.1 1.0
HH11 B:ARG369 4.4 15.0 1.0
C3D B:CND377 4.4 5.0 1.0
C2D B:CND377 4.4 5.3 1.0
CB B:VAL203 4.4 5.4 1.0
CA B:ARG47 4.6 8.2 1.0
NH2 B:ARG369 4.7 23.1 1.0
CA B:GLY201 4.7 10.2 1.0
CG B:ARG47 4.7 7.8 1.0
H B:GLY204 4.7 15.0 1.0
C5B B:CND377 4.7 4.6 1.0
CZ B:ARG369 4.8 17.1 1.0
SG B:CYS46 4.8 24.5 1.0
C B:GLY201 4.9 9.9 1.0
CA B:VAL203 5.0 6.1 1.0
H2 B:HOH384 5.0 15.0 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 12:45:38 2020

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