Phosphorus in PDB 1agn: X-Ray Structure of Human Sigma Alcohol Dehydrogenase

Enzymatic activity of X-Ray Structure of Human Sigma Alcohol Dehydrogenase

All present enzymatic activity of X-Ray Structure of Human Sigma Alcohol Dehydrogenase:
1.1.1.1;

Protein crystallography data

The structure of X-Ray Structure of Human Sigma Alcohol Dehydrogenase, PDB code: 1agn was solved by T.D.Hurley, P.Xie, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 3.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 86.300, 94.650, 121.660, 90.00, 100.03, 90.00
R / Rfree (%) 22.5 / 30.5

Phosphorus Binding Sites:

The binding sites of Phosphorus atom in the X-Ray Structure of Human Sigma Alcohol Dehydrogenase (pdb code 1agn). This binding sites where shown within 5.0 Angstroms radius around Phosphorus atom.
In total 8 binding sites of Phosphorus where determined in the X-Ray Structure of Human Sigma Alcohol Dehydrogenase, PDB code: 1agn:
Jump to Phosphorus binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Phosphorus binding site 1 out of 8 in 1agn

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Phosphorus binding site 1 out of 8 in the X-Ray Structure of Human Sigma Alcohol Dehydrogenase


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 1 of X-Ray Structure of Human Sigma Alcohol Dehydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:P377

b:19.6
occ:1.00
 PA A:NAD377 0.0 19.6 1.0
O1A A:NAD377 1.5 19.6 1.0
O2A A:NAD377 1.5 19.6 1.0
O3 A:NAD377 1.6 19.6 1.0
O5B A:NAD377 1.6 19.6 1.0
C5B A:NAD377 2.6 19.6 1.0
PN A:NAD377 2.9 19.6 1.0
O2N A:NAD377 3.4 19.6 1.0
CA A:GLY201 3.8 19.6 1.0
O1N A:NAD377 3.8 19.6 1.0
C4B A:NAD377 3.8 19.6 1.0
O5D A:NAD377 3.9 19.6 1.0
NE A:ARG47 4.2 19.6 1.0
C5D A:NAD377 4.2 19.6 1.0
N A:GLY202 4.2 19.6 1.0
CB A:ARG47 4.2 19.6 1.0
C3B A:NAD377 4.3 19.6 1.0
C A:GLY201 4.6 19.6 1.0
CG A:ARG47 4.7 19.6 1.0
NH2 A:ARG47 4.7 19.6 1.0
N A:GLY201 4.8 19.6 1.0
CZ A:ARG47 4.9 19.6 1.0
NH1 A:ARG369 4.9 19.6 1.0
O4B A:NAD377 5.0 19.6 1.0

Phosphorus binding site 2 out of 8 in 1agn

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Phosphorus binding site 2 out of 8 in the X-Ray Structure of Human Sigma Alcohol Dehydrogenase


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 2 of X-Ray Structure of Human Sigma Alcohol Dehydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:P377

b:19.6
occ:1.00
 PN A:NAD377 0.0 19.6 1.0
O1N A:NAD377 1.5 19.6 1.0
O2N A:NAD377 1.5 19.6 1.0
O3 A:NAD377 1.5 19.6 1.0
O5D A:NAD377 1.6 19.6 1.0
C5D A:NAD377 2.7 19.6 1.0
PA A:NAD377 2.9 19.6 1.0
CB A:ARG47 3.4 19.6 1.0
O2A A:NAD377 3.5 19.6 1.0
O5B A:NAD377 3.7 19.6 1.0
O1A A:NAD377 3.9 19.6 1.0
CG2 A:VAL203 4.0 19.6 1.0
C4D A:NAD377 4.0 19.6 1.0
NH1 A:ARG369 4.0 19.6 1.0
N A:ARG47 4.2 19.6 1.0
O4D A:NAD377 4.2 19.6 1.0
N A:VAL203 4.3 19.6 1.0
NH2 A:ARG369 4.4 19.6 1.0
CB A:VAL203 4.4 19.6 1.0
N A:GLY202 4.4 19.6 1.0
CG A:ARG47 4.4 19.6 1.0
CA A:ARG47 4.5 19.6 1.0
C5B A:NAD377 4.6 19.6 1.0
C6N A:NAD377 4.7 19.6 1.0
CZ A:ARG369 4.7 19.6 1.0
C2D A:NAD377 4.7 19.6 1.0
C3D A:NAD377 4.8 19.6 1.0
SG A:CYS46 4.9 19.6 1.0
CA A:GLY201 5.0 19.6 1.0

Phosphorus binding site 3 out of 8 in 1agn

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Phosphorus binding site 3 out of 8 in the X-Ray Structure of Human Sigma Alcohol Dehydrogenase


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 3 of X-Ray Structure of Human Sigma Alcohol Dehydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:P377

b:15.4
occ:1.00
 PA B:NAD377 0.0 15.4 1.0
O2A B:NAD377 1.5 15.4 1.0
O1A B:NAD377 1.5 15.4 1.0
O5B B:NAD377 1.5 15.4 1.0
O3 B:NAD377 1.6 15.4 1.0
C5B B:NAD377 2.5 15.4 1.0
PN B:NAD377 2.8 15.4 1.0
O5D B:NAD377 3.1 15.4 1.0
O2N B:NAD377 3.4 15.4 1.0
C4B B:NAD377 3.5 15.4 1.0
O1N B:NAD377 4.0 15.4 1.0
C3B B:NAD377 4.0 15.4 1.0
CA B:GLY201 4.0 15.4 1.0
CB B:ARG47 4.1 15.4 1.0
C5D B:NAD377 4.1 15.4 1.0
NE B:ARG47 4.3 15.4 1.0
CG B:ARG47 4.4 15.4 1.0
CD1 B:LEU362 4.5 15.4 1.0
N B:GLY202 4.7 15.4 1.0
O4B B:NAD377 4.8 15.4 1.0
N B:GLY201 4.8 15.4 1.0
C B:GLY201 4.9 15.4 1.0
NH2 B:ARG47 5.0 15.4 1.0
CD B:ARG47 5.0 15.4 1.0
O3B B:NAD377 5.0 15.4 1.0

Phosphorus binding site 4 out of 8 in 1agn

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Phosphorus binding site 4 out of 8 in the X-Ray Structure of Human Sigma Alcohol Dehydrogenase


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 4 of X-Ray Structure of Human Sigma Alcohol Dehydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:P377

b:15.4
occ:1.00
 PN B:NAD377 0.0 15.4 1.0
O1N B:NAD377 1.5 15.4 1.0
O2N B:NAD377 1.5 15.4 1.0
O3 B:NAD377 1.5 15.4 1.0
O5D B:NAD377 1.6 15.4 1.0
C5D B:NAD377 2.7 15.4 1.0
PA B:NAD377 2.8 15.4 1.0
O5B B:NAD377 3.3 15.4 1.0
CB B:ARG47 3.7 15.4 1.0
C4D B:NAD377 3.7 15.4 1.0
O4D B:NAD377 3.7 15.4 1.0
O1A B:NAD377 3.7 15.4 1.0
O2A B:NAD377 3.8 15.4 1.0
CG2 B:VAL203 4.0 15.4 1.0
C3D B:NAD377 4.1 15.4 1.0
NH1 B:ARG369 4.2 15.4 1.0
N B:VAL203 4.3 15.4 1.0
CB B:VAL203 4.4 15.4 1.0
N B:GLY202 4.4 15.4 1.0
C2D B:NAD377 4.5 15.4 1.0
N B:ARG47 4.5 15.4 1.0
C5B B:NAD377 4.5 15.4 1.0
CG B:ARG47 4.6 15.4 1.0
CA B:ARG47 4.7 15.4 1.0
C1D B:NAD377 4.8 15.4 1.0
O B:VAL268 4.9 15.4 1.0
CA B:GLY201 4.9 15.4 1.0
CA B:VAL203 5.0 15.4 1.0

Phosphorus binding site 5 out of 8 in 1agn

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Phosphorus binding site 5 out of 8 in the X-Ray Structure of Human Sigma Alcohol Dehydrogenase


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 5 of X-Ray Structure of Human Sigma Alcohol Dehydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:P377

b:25.9
occ:1.00
 PA C:NAD377 0.0 25.9 1.0
O2A C:NAD377 1.5 25.9 1.0
O1A C:NAD377 1.5 25.9 1.0
O3 C:NAD377 1.5 25.9 1.0
O5B C:NAD377 1.6 25.9 1.0
C5B C:NAD377 2.6 25.9 1.0
PN C:NAD377 2.7 25.9 1.0
O2N C:NAD377 3.2 25.9 1.0
C4B C:NAD377 3.7 25.9 1.0
O1N C:NAD377 3.8 25.9 1.0
O5D C:NAD377 3.8 25.9 1.0
C5D C:NAD377 3.9 25.9 1.0
CB C:ARG47 3.9 25.9 1.0
NE C:ARG47 4.0 25.9 1.0
CA C:GLY201 4.0 25.9 1.0
N C:GLY202 4.2 25.9 1.0
CG C:ARG47 4.4 25.9 1.0
NH2 C:ARG47 4.4 25.9 1.0
C3B C:NAD377 4.5 25.9 1.0
C C:GLY201 4.6 25.9 1.0
CZ C:ARG47 4.7 25.9 1.0
CD C:ARG47 4.8 25.9 1.0
O4B C:NAD377 4.8 25.9 1.0
N C:GLY201 4.9 25.9 1.0

Phosphorus binding site 6 out of 8 in 1agn

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Phosphorus binding site 6 out of 8 in the X-Ray Structure of Human Sigma Alcohol Dehydrogenase


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 6 of X-Ray Structure of Human Sigma Alcohol Dehydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:P377

b:25.9
occ:1.00
 PN C:NAD377 0.0 25.9 1.0
O1N C:NAD377 1.5 25.9 1.0
O2N C:NAD377 1.5 25.9 1.0
O3 C:NAD377 1.6 25.9 1.0
O5D C:NAD377 1.6 25.9 1.0
C5D C:NAD377 2.6 25.9 1.0
PA C:NAD377 2.7 25.9 1.0
O2A C:NAD377 3.1 25.9 1.0
O5B C:NAD377 3.5 25.9 1.0
CB C:ARG47 3.8 25.9 1.0
CG2 C:VAL203 3.8 25.9 1.0
C4D C:NAD377 3.9 25.9 1.0
O1A C:NAD377 4.0 25.9 1.0
N C:VAL203 4.0 25.9 1.0
O4D C:NAD377 4.2 25.9 1.0
N C:GLY202 4.2 25.9 1.0
CB C:VAL203 4.2 25.9 1.0
NH1 C:ARG369 4.3 25.9 1.0
C2D C:NAD377 4.4 25.9 1.0
C3D C:NAD377 4.6 25.9 1.0
N C:ARG47 4.6 25.9 1.0
CG C:ARG47 4.6 25.9 1.0
CA C:GLY202 4.7 25.9 1.0
CA C:VAL203 4.8 25.9 1.0
C6N C:NAD377 4.8 25.9 1.0
CA C:ARG47 4.8 25.9 1.0
C C:GLY202 4.9 25.9 1.0
C C:GLY201 4.9 25.9 1.0
C5B C:NAD377 4.9 25.9 1.0
NH2 C:ARG369 5.0 25.9 1.0
C1D C:NAD377 5.0 25.9 1.0

Phosphorus binding site 7 out of 8 in 1agn

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Phosphorus binding site 7 out of 8 in the X-Ray Structure of Human Sigma Alcohol Dehydrogenase


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 7 of X-Ray Structure of Human Sigma Alcohol Dehydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:P377

b:14.9
occ:1.00
 PA D:NAD377 0.0 14.9 1.0
O2A D:NAD377 1.5 14.9 1.0
O1A D:NAD377 1.5 14.9 1.0
O5B D:NAD377 1.6 14.9 1.0
O3 D:NAD377 1.6 14.9 1.0
C5B D:NAD377 2.8 14.9 1.0
PN D:NAD377 2.9 14.9 1.0
O5D D:NAD377 3.6 14.9 1.0
O2N D:NAD377 3.6 14.9 1.0
C4B D:NAD377 3.8 14.9 1.0
O1N D:NAD377 4.1 14.9 1.0
CA D:GLY201 4.1 14.9 1.0
C3B D:NAD377 4.1 14.9 1.0
NE D:ARG47 4.1 14.9 1.0
CB D:ARG47 4.3 14.9 1.0
CD1 D:LEU362 4.4 14.9 1.0
N D:GLY202 4.4 14.9 1.0
NH2 D:ARG47 4.5 14.9 1.0
CG D:ARG47 4.8 14.9 1.0
CZ D:ARG47 4.8 14.9 1.0
C D:GLY201 4.8 14.9 1.0
C5D D:NAD377 4.9 14.9 1.0

Phosphorus binding site 8 out of 8 in 1agn

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Phosphorus binding site 8 out of 8 in the X-Ray Structure of Human Sigma Alcohol Dehydrogenase


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 8 of X-Ray Structure of Human Sigma Alcohol Dehydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:P377

b:14.9
occ:1.00
 PN D:NAD377 0.0 14.9 1.0
O1N D:NAD377 1.5 14.9 1.0
O2N D:NAD377 1.5 14.9 1.0
O5D D:NAD377 1.6 14.9 1.0
O3 D:NAD377 1.6 14.9 1.0
C5D D:NAD377 2.5 14.9 1.0
PA D:NAD377 2.9 14.9 1.0
O5B D:NAD377 3.2 14.9 1.0
CB D:ARG47 3.7 14.9 1.0
CG2 D:VAL203 3.8 14.9 1.0
O2A D:NAD377 3.8 14.9 1.0
C4D D:NAD377 3.8 14.9 1.0
O1A D:NAD377 4.0 14.9 1.0
N D:GLY202 4.1 14.9 1.0
N D:VAL203 4.2 14.9 1.0
NH1 D:ARG369 4.3 14.9 1.0
N D:ARG47 4.3 14.9 1.0
C5B D:NAD377 4.4 14.9 1.0
NH2 D:ARG369 4.5 14.9 1.0
CB D:VAL203 4.5 14.9 1.0
C3D D:NAD377 4.6 14.9 1.0
CA D:ARG47 4.7 14.9 1.0
CG D:ARG47 4.7 14.9 1.0
CZ D:ARG369 4.7 14.9 1.0
CA D:GLY202 4.7 14.9 1.0
O4D D:NAD377 4.8 14.9 1.0
CA D:GLY201 4.9 14.9 1.0
C D:GLY201 4.9 14.9 1.0
CA D:VAL203 5.0 14.9 1.0

Reference:

P.Xie, S.H.Parsons, D.C.Speckhard, W.F.Bosron, T.D.Hurley. X-Ray Structure of Human Class IV Sigmasigma Alcohol Dehydrogenase. Structural Basis For Substrate Specificity. J.Biol.Chem. V. 272 18558 1997.
ISSN: ISSN 0021-9258
PubMed: 9228021
DOI: 10.1074/JBC.272.30.18558
Page generated: Fri Sep 25 12:52:33 2020

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