Phosphorus in PDB 1ae1: Tropinone Reductase-I Complex with Nadp

Enzymatic activity of Tropinone Reductase-I Complex with Nadp

All present enzymatic activity of Tropinone Reductase-I Complex with Nadp:
1.1.1.236;

Protein crystallography data

The structure of Tropinone Reductase-I Complex with Nadp, PDB code: 1ae1 was solved by K.Nakajima, A.Yamashita, H.Akama, T.Nakatsu, H.Kato, T.Hashimoto, J.Oda, Y.Yamada, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 2.40
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 55.740, 122.750, 75.510, 90.00, 90.00, 90.00
R / Rfree (%) 15.5 / 24.8

Phosphorus Binding Sites:

The binding sites of Phosphorus atom in the Tropinone Reductase-I Complex with Nadp (pdb code 1ae1). This binding sites where shown within 5.0 Angstroms radius around Phosphorus atom.
In total 6 binding sites of Phosphorus where determined in the Tropinone Reductase-I Complex with Nadp, PDB code: 1ae1:
Jump to Phosphorus binding site number: 1; 2; 3; 4; 5; 6;

Phosphorus binding site 1 out of 6 in 1ae1

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Phosphorus binding site 1 out of 6 in the Tropinone Reductase-I Complex with Nadp


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 1 of Tropinone Reductase-I Complex with Nadp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:P274

b:29.8
occ:1.00
 PA A:NAP274 0.0 29.8 1.0
O2A A:NAP274 1.5 14.2 1.0
O1A A:NAP274 1.5 42.0 1.0
O5B A:NAP274 1.6 28.0 1.0
O3 A:NAP274 1.6 24.8 1.0
C5B A:NAP274 2.6 11.7 1.0
PN A:NAP274 2.9 11.5 1.0
O2N A:NAP274 3.4 17.9 1.0
O1N A:NAP274 3.5 20.7 1.0
C4B A:NAP274 3.9 14.6 1.0
O5D A:NAP274 4.1 21.1 1.0
O A:HOH296 4.1 22.0 1.0
C3B A:NAP274 4.3 20.2 1.0
O A:HOH292 4.6 29.3 1.0
CG A:LYS31 4.6 16.1 1.0
C5D A:NAP274 4.7 18.2 1.0
CD A:LYS31 4.8 23.8 1.0
O4B A:NAP274 5.0 22.1 1.0

Phosphorus binding site 2 out of 6 in 1ae1

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Phosphorus binding site 2 out of 6 in the Tropinone Reductase-I Complex with Nadp


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 2 of Tropinone Reductase-I Complex with Nadp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:P274

b:11.5
occ:1.00
 PN A:NAP274 0.0 11.5 1.0
O1N A:NAP274 1.5 20.7 1.0
O2N A:NAP274 1.5 17.9 1.0
O3 A:NAP274 1.6 24.8 1.0
O5D A:NAP274 1.6 21.1 1.0
C5D A:NAP274 2.6 18.2 1.0
PA A:NAP274 2.9 29.8 1.0
O2A A:NAP274 3.2 14.2 1.0
O5B A:NAP274 3.7 28.0 1.0
O A:HOH296 3.8 22.0 1.0
O1A A:NAP274 3.9 42.0 1.0
C4D A:NAP274 4.0 20.1 1.0
N7N A:NAP274 4.1 14.3 1.0
O4D A:NAP274 4.2 9.2 1.0
C2N A:NAP274 4.3 7.0 1.0
C5B A:NAP274 4.3 11.7 1.0
O A:HOH292 4.4 29.3 1.0
N A:ILE33 4.4 5.3 1.0
C3D A:NAP274 4.6 11.7 1.0
CD1 A:ILE33 4.7 14.4 1.0
CB A:ILE33 4.7 8.6 1.0
C2D A:NAP274 4.7 15.0 1.0
CG1 A:ILE33 4.8 6.8 1.0
CA A:GLY32 4.9 10.0 1.0
C1D A:NAP274 5.0 7.4 1.0

Phosphorus binding site 3 out of 6 in 1ae1

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Phosphorus binding site 3 out of 6 in the Tropinone Reductase-I Complex with Nadp


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 3 of Tropinone Reductase-I Complex with Nadp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:P274

b:21.5
occ:1.00
 P2B A:NAP274 0.0 21.5 1.0
O3X A:NAP274 1.4 26.5 1.0
O2X A:NAP274 1.5 37.8 1.0
O2B A:NAP274 1.6 26.7 1.0
O1X A:NAP274 1.6 32.3 1.0
C2B A:NAP274 2.7 23.0 1.0
C3B A:NAP274 3.7 20.2 1.0
C1B A:NAP274 3.8 20.0 1.0
N A:ARG53 3.9 23.9 1.0
NH1 A:ARG53 3.9 24.3 1.0
O3B A:NAP274 3.9 16.8 1.0
N9A A:NAP274 4.0 17.2 1.0
CB A:ARG53 4.1 27.5 1.0
CB A:SER52 4.2 20.7 1.0
CD A:ARG53 4.3 26.9 1.0
OG A:SER30 4.3 22.7 1.0
C4A A:NAP274 4.4 15.3 1.0
C8A A:NAP274 4.5 10.3 1.0
CA A:ARG53 4.6 25.4 1.0
CE A:LYS31 4.6 21.8 1.0
ND2 A:ASN54 4.7 73.2 1.0
CA A:SER52 4.7 16.9 1.0
N3A A:NAP274 4.7 17.2 1.0
OE1 A:GLU57 4.8 54.8 1.0
C A:SER52 4.8 17.3 1.0
OG A:SER52 4.8 28.6 1.0
CG A:ARG53 4.9 22.9 1.0
CZ A:ARG53 4.9 26.5 1.0
O4B A:NAP274 5.0 22.1 1.0
C4B A:NAP274 5.0 14.6 1.0

Phosphorus binding site 4 out of 6 in 1ae1

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Phosphorus binding site 4 out of 6 in the Tropinone Reductase-I Complex with Nadp


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 4 of Tropinone Reductase-I Complex with Nadp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:P274

b:17.5
occ:1.00
 PA B:NAP274 0.0 17.5 1.0
O2A B:NAP274 1.5 15.2 1.0
O1A B:NAP274 1.5 19.8 1.0
O5B B:NAP274 1.6 4.5 1.0
O3 B:NAP274 1.6 19.9 1.0
C5B B:NAP274 2.6 2.3 1.0
PN B:NAP274 3.0 14.6 1.0
O2N B:NAP274 3.4 18.7 1.0
O1N B:NAP274 3.6 7.9 1.0
O B:HOH278 3.8 20.6 1.0
C4B B:NAP274 3.9 16.4 1.0
CB B:LEU208 3.9 23.8 1.0
O5D B:NAP274 4.1 5.8 1.0
N B:LEU208 4.1 22.8 1.0
O B:HOH292 4.2 26.2 1.0
O B:HOH290 4.2 6.2 1.0
C3B B:NAP274 4.4 23.5 1.0
CD1 B:LEU208 4.4 18.4 1.0
CA B:LEU208 4.5 20.2 1.0
OG1 B:THR206 4.6 10.1 1.0
CG B:LYS31 4.6 21.9 1.0
CB B:PRO207 4.6 11.4 1.0
C5D B:NAP274 4.7 14.5 1.0
CG B:LEU208 4.8 19.2 1.0
O B:LYS31 4.8 12.8 1.0
CA B:GLY32 4.9 18.5 1.0
CB B:THR206 4.9 15.3 1.0
C B:LYS31 4.9 19.0 1.0

Phosphorus binding site 5 out of 6 in 1ae1

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Phosphorus binding site 5 out of 6 in the Tropinone Reductase-I Complex with Nadp


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 5 of Tropinone Reductase-I Complex with Nadp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:P274

b:14.6
occ:1.00
 PN B:NAP274 0.0 14.6 1.0
O1N B:NAP274 1.4 7.9 1.0
O2N B:NAP274 1.5 18.7 1.0
O5D B:NAP274 1.6 5.8 1.0
O3 B:NAP274 1.6 19.9 1.0
C5D B:NAP274 2.6 14.5 1.0
PA B:NAP274 3.0 17.5 1.0
O2A B:NAP274 3.2 15.2 1.0
O5B B:NAP274 3.6 4.5 1.0
OG1 B:THR206 3.9 10.1 1.0
O B:HOH290 3.9 6.2 1.0
C4D B:NAP274 3.9 18.6 1.0
O1A B:NAP274 4.0 19.8 1.0
O4D B:NAP274 4.1 12.1 1.0
N7N B:NAP274 4.2 10.8 1.0
C2N B:NAP274 4.2 7.8 1.0
C5B B:NAP274 4.2 2.3 1.0
CB B:LEU208 4.2 23.8 1.0
CD1 B:LEU208 4.3 18.4 1.0
N B:ILE33 4.3 16.9 1.0
CD1 B:ILE33 4.3 10.0 1.0
CB B:THR206 4.3 15.3 1.0
CG2 B:THR206 4.4 6.4 1.0
CG1 B:ILE33 4.5 8.8 1.0
C2D B:NAP274 4.6 15.9 1.0
C3D B:NAP274 4.6 8.5 1.0
CA B:GLY32 4.7 18.5 1.0
CB B:ILE33 4.7 14.2 1.0
CG B:LEU208 4.8 19.2 1.0
C1D B:NAP274 4.9 11.4 1.0
N1N B:NAP274 5.0 9.9 1.0

Phosphorus binding site 6 out of 6 in 1ae1

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Phosphorus binding site 6 out of 6 in the Tropinone Reductase-I Complex with Nadp


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 6 of Tropinone Reductase-I Complex with Nadp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:P274

b:24.1
occ:1.00
 P2B B:NAP274 0.0 24.1 1.0
O3X B:NAP274 1.5 26.6 1.0
O2X B:NAP274 1.5 26.6 1.0
O1X B:NAP274 1.6 26.4 1.0
O2B B:NAP274 1.6 28.4 1.0
C2B B:NAP274 2.7 26.0 1.0
C3B B:NAP274 3.7 23.5 1.0
O B:HOH314 3.8 40.5 1.0
C1B B:NAP274 3.8 21.1 1.0
CE B:LYS31 3.9 43.0 1.0
O B:HOH296 4.0 16.0 1.0
NH2 B:ARG53 4.0 31.9 1.0
N9A B:NAP274 4.0 18.4 1.0
O3B B:NAP274 4.0 14.9 1.0
NE B:ARG53 4.0 31.5 1.0
NZ B:LYS31 4.1 59.3 1.0
N B:ARG53 4.1 17.5 1.0
CB B:ARG53 4.3 19.9 1.0
CB B:SER52 4.3 12.6 1.0
C4A B:NAP274 4.4 19.6 1.0
CZ B:ARG53 4.5 27.5 1.0
C8A B:NAP274 4.5 14.5 1.0
OG B:SER30 4.6 15.4 1.0
CA B:ARG53 4.7 29.2 1.0
OG B:SER52 4.8 33.1 1.0
N3A B:NAP274 4.8 19.3 1.0
CG B:ARG53 4.9 26.3 1.0
OE1 B:GLU57 4.9 35.2 1.0
CA B:SER52 5.0 19.1 1.0
O4B B:NAP274 5.0 23.1 1.0
C4B B:NAP274 5.0 16.4 1.0

Reference:

K.Nakajima, A.Yamashita, H.Akama, T.Nakatsu, H.Kato, T.Hashimoto, J.Oda, Y.Yamada. Crystal Structures of Two Tropinone Reductases: Different Reaction Stereospecificities in the Same Protein Fold. Proc.Natl.Acad.Sci.Usa V. 95 4876 1998.
ISSN: ISSN 0027-8424
PubMed: 9560196
DOI: 10.1073/PNAS.95.9.4876
Page generated: Fri Sep 25 12:46:25 2020

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