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

Go back to Phosphorus Binding Sites List in 1ae1
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

Go back to Phosphorus Binding Sites List in 1ae1
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

Go back to Phosphorus Binding Sites List in 1ae1
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

Go back to Phosphorus Binding Sites List in 1ae1
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

Go back to Phosphorus Binding Sites List in 1ae1
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

Go back to Phosphorus Binding Sites List in 1ae1
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

Last articles

Zn in 7M6U
Zn in 7NNG
Zn in 7NEE
Zn in 7NEU
Zn in 7M3K
Zn in 7KWD
Zn in 7KYH
Zn in 7KNG
Zn in 7KY2
Zn in 7KYF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy