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Lutetium in PDB 1pjl: Crystal Structure of Human M-Nad-Me in Ternary Complex with Nad and LU3+

Enzymatic activity of Crystal Structure of Human M-Nad-Me in Ternary Complex with Nad and LU3+

All present enzymatic activity of Crystal Structure of Human M-Nad-Me in Ternary Complex with Nad and LU3+:
1.1.1.38;

Protein crystallography data

The structure of Crystal Structure of Human M-Nad-Me in Ternary Complex with Nad and LU3+, PDB code: 1pjl was solved by Z.Yang, R.Batra, D.L.Floyd, H.-C.Hung, G.-G.Chang, L.Tong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.90
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 113.300, 119.000, 125.900, 116.50, 94.80, 102.80
R / Rfree (%) 20.4 / 26.3

Lutetium Binding Sites:

The binding sites of Lutetium atom in the Crystal Structure of Human M-Nad-Me in Ternary Complex with Nad and LU3+ (pdb code 1pjl). This binding sites where shown within 5.0 Angstroms radius around Lutetium atom.
In total 8 binding sites of Lutetium where determined in the Crystal Structure of Human M-Nad-Me in Ternary Complex with Nad and LU3+, PDB code: 1pjl:
Jump to Lutetium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Lutetium binding site 1 out of 8 in 1pjl

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Lutetium binding site 1 out of 8 in the Crystal Structure of Human M-Nad-Me in Ternary Complex with Nad and LU3+


Mono view


Stereo pair view

A full contact list of Lutetium with other atoms in the Lu binding site number 1 of Crystal Structure of Human M-Nad-Me in Ternary Complex with Nad and LU3+ within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Lu604

b:78.1
occ:1.00
 OD1 A:ASP279 2.6 37.5 1.0
OE1 A:GLU255 2.8 39.8 1.0
OD1 A:ASP256 3.2 41.1 1.0
CG A:ASP279 3.5 36.9 1.0
CD A:GLU255 3.5 38.1 1.0
OE2 A:GLU255 3.5 36.8 1.0
OD2 A:ASP279 3.7 36.1 1.0
CG A:ASP256 3.9 37.0 1.0
CD2 A:LEU167 4.0 34.8 1.0
OD2 A:ASP256 4.3 34.0 1.0
N A:ASP256 4.5 34.6 1.0
NZ A:LYS183 4.6 30.4 1.0
CB A:ASP279 4.8 36.7 1.0
OH A:TYR112 4.8 42.4 1.0
CA A:ASP256 4.9 33.2 1.0
CG A:GLU255 4.9 37.0 1.0
OD2 A:ASP278 4.9 43.4 1.0

Lutetium binding site 2 out of 8 in 1pjl

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Lutetium binding site 2 out of 8 in the Crystal Structure of Human M-Nad-Me in Ternary Complex with Nad and LU3+


Mono view


Stereo pair view

A full contact list of Lutetium with other atoms in the Lu binding site number 2 of Crystal Structure of Human M-Nad-Me in Ternary Complex with Nad and LU3+ within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Lu1604

b:78.3
occ:1.00
 OD1 B:ASP1256 2.9 43.0 1.0
OE1 B:GLU1255 2.9 46.6 1.0
OD1 B:ASP1279 3.0 35.5 1.0
OE2 B:GLU1255 3.3 42.1 1.0
CG B:ASP1256 3.3 41.8 1.0
OD2 B:ASP1279 3.4 37.7 1.0
CG B:ASP1279 3.4 36.1 1.0
CD B:GLU1255 3.5 42.0 1.0
OD2 B:ASP1256 3.5 41.3 1.0
CD2 B:LEU1167 4.0 36.3 1.0
NZ B:LYS1183 4.2 31.9 1.0
N B:ASP1256 4.3 36.0 1.0
CB B:ASP1256 4.4 37.2 1.0
CA B:ASP1256 4.5 35.8 1.0
OD2 B:ASP1278 4.5 43.9 1.0
CB B:ASP1279 4.6 37.4 1.0
OH B:TYR1112 4.6 46.1 1.0
CG2 B:ILE1179 4.9 25.1 1.0
CG B:GLU1255 4.9 38.2 1.0

Lutetium binding site 3 out of 8 in 1pjl

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Lutetium binding site 3 out of 8 in the Crystal Structure of Human M-Nad-Me in Ternary Complex with Nad and LU3+


Mono view


Stereo pair view

A full contact list of Lutetium with other atoms in the Lu binding site number 3 of Crystal Structure of Human M-Nad-Me in Ternary Complex with Nad and LU3+ within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Lu2604

b:72.0
occ:1.00
 OD1 C:ASP2279 2.7 40.9 1.0
OE1 C:GLU2255 3.0 40.3 1.0
OE2 C:GLU2255 3.1 40.1 1.0
OD2 C:ASP2279 3.1 38.4 1.0
CG C:ASP2279 3.3 39.1 1.0
OD1 C:ASP2256 3.4 39.3 1.0
CD C:GLU2255 3.4 39.1 1.0
CD2 C:LEU2167 3.8 35.7 1.0
CG C:ASP2256 3.8 34.8 1.0
OD2 C:ASP2256 3.9 32.2 1.0
OH C:TYR2112 4.5 40.2 1.0
N C:ASP2256 4.7 36.3 1.0
CB C:ASP2279 4.7 35.2 1.0
NZ C:LYS2183 4.7 26.9 1.0
CG C:GLU2255 4.9 38.6 1.0
OD2 C:ASP2278 4.9 42.5 1.0
CB C:ASP2256 4.9 35.1 1.0
CA C:ASP2256 5.0 35.6 1.0

Lutetium binding site 4 out of 8 in 1pjl

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Lutetium binding site 4 out of 8 in the Crystal Structure of Human M-Nad-Me in Ternary Complex with Nad and LU3+


Mono view


Stereo pair view

A full contact list of Lutetium with other atoms in the Lu binding site number 4 of Crystal Structure of Human M-Nad-Me in Ternary Complex with Nad and LU3+ within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Lu3604

b:88.7
occ:1.00
 OD2 D:ASP3256 3.1 45.5 1.0
OD1 D:ASP3279 3.2 35.0 1.0
OD1 D:ASP3256 3.2 46.0 1.0
CG D:ASP3256 3.4 43.2 1.0
OE1 D:GLU3255 3.4 42.1 1.0
CG D:ASP3279 3.6 38.0 1.0
OE2 D:GLU3255 3.9 35.9 1.0
CD D:GLU3255 4.0 40.1 1.0
OD2 D:ASP3279 4.0 39.7 1.0
CD2 D:LEU3167 4.2 35.2 1.0
OD2 D:ASP3278 4.2 41.8 1.0
CB D:ASP3279 4.4 37.8 1.0
OH D:TYR3112 4.5 47.7 1.0
N D:ASP3256 4.5 35.0 1.0
CB D:ASP3256 4.6 35.2 1.0
CA D:ASP3256 4.6 36.0 1.0
NZ D:LYS3183 4.7 32.5 1.0

Lutetium binding site 5 out of 8 in 1pjl

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Lutetium binding site 5 out of 8 in the Crystal Structure of Human M-Nad-Me in Ternary Complex with Nad and LU3+


Mono view


Stereo pair view

A full contact list of Lutetium with other atoms in the Lu binding site number 5 of Crystal Structure of Human M-Nad-Me in Ternary Complex with Nad and LU3+ within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Lu4604

b:78.2
occ:1.00
 OD2 E:ASP4256 2.8 34.2 1.0
OD1 E:ASP4279 3.4 37.0 1.0
OE1 E:GLU4255 3.5 39.2 1.0
CG E:ASP4279 3.8 37.3 1.0
CG E:ASP4256 3.9 38.5 1.0
CD2 E:LEU4167 4.1 39.2 1.0
OE2 E:GLU4255 4.1 33.5 1.0
CD E:GLU4255 4.1 37.3 1.0
OD2 E:ASP4279 4.3 38.6 1.0
OD1 E:ASP4256 4.5 43.8 1.0
NZ E:LYS4183 4.6 34.3 1.0
OH E:TYR4112 4.6 42.8 1.0
CB E:ASP4279 4.6 34.3 1.0
N E:ASP4256 4.8 29.3 1.0

Lutetium binding site 6 out of 8 in 1pjl

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Lutetium binding site 6 out of 8 in the Crystal Structure of Human M-Nad-Me in Ternary Complex with Nad and LU3+


Mono view


Stereo pair view

A full contact list of Lutetium with other atoms in the Lu binding site number 6 of Crystal Structure of Human M-Nad-Me in Ternary Complex with Nad and LU3+ within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Lu5604

b:73.8
occ:1.00
 OD1 F:ASP5256 2.8 35.4 1.0
OE1 F:GLU5255 3.1 35.3 1.0
OD1 F:ASP5279 3.3 40.1 1.0
OE2 F:GLU5255 3.4 33.9 1.0
CG F:ASP5279 3.5 37.9 1.0
CD F:GLU5255 3.6 33.7 1.0
OD2 F:ASP5279 3.7 37.1 1.0
CG F:ASP5256 3.8 38.5 1.0
CD2 F:LEU5167 3.8 38.4 1.0
OD2 F:ASP5256 4.1 40.1 1.0
CB F:ASP5279 4.1 35.6 1.0
NZ F:LYS5183 4.2 31.2 1.0
OH F:TYR5112 4.4 36.0 1.0
N F:ASP5256 4.7 34.5 1.0
OD2 F:ASP5278 4.8 45.2 1.0

Lutetium binding site 7 out of 8 in 1pjl

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Lutetium binding site 7 out of 8 in the Crystal Structure of Human M-Nad-Me in Ternary Complex with Nad and LU3+


Mono view


Stereo pair view

A full contact list of Lutetium with other atoms in the Lu binding site number 7 of Crystal Structure of Human M-Nad-Me in Ternary Complex with Nad and LU3+ within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Lu6604

b:85.8
occ:1.00
 OD1 G:ASP6279 3.3 36.3 1.0
OE1 G:GLU6255 3.4 44.9 1.0
CG G:ASP6279 3.6 36.8 1.0
OD1 G:ASP6256 3.6 44.0 1.0
OD2 G:ASP6279 3.7 40.5 1.0
OD2 G:ASP6256 3.7 42.0 1.0
CG G:ASP6256 3.8 42.9 1.0
CD G:GLU6255 3.9 42.1 1.0
OE2 G:GLU6255 3.9 41.3 1.0
CD2 G:LEU6167 4.1 37.3 1.0
N G:ASP6256 4.3 33.3 1.0
CB G:ASP6279 4.5 32.4 1.0
CA G:ASP6256 4.6 33.0 1.0
OH G:TYR6112 4.6 39.9 1.0
CB G:ASP6256 4.8 36.3 1.0
C G:GLU6255 5.0 34.4 1.0

Lutetium binding site 8 out of 8 in 1pjl

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Lutetium binding site 8 out of 8 in the Crystal Structure of Human M-Nad-Me in Ternary Complex with Nad and LU3+


Mono view


Stereo pair view

A full contact list of Lutetium with other atoms in the Lu binding site number 8 of Crystal Structure of Human M-Nad-Me in Ternary Complex with Nad and LU3+ within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Lu7604

b:73.9
occ:1.00
 OE1 H:GLU7255 3.0 46.3 1.0
OD1 H:ASP7279 3.1 33.5 1.0
OD1 H:ASP7256 3.1 44.2 1.0
OD2 H:ASP7279 3.2 39.0 1.0
CG H:ASP7279 3.2 36.2 1.0
OE2 H:GLU7255 3.4 38.5 1.0
CD H:GLU7255 3.6 41.9 1.0
CG H:ASP7256 3.9 41.5 1.0
NZ H:LYS7183 3.9 36.9 1.0
OD2 H:ASP7256 4.1 40.0 1.0
CB H:ASP7279 4.2 36.5 1.0
CD2 H:LEU7167 4.2 35.8 1.0
OH H:TYR7112 4.3 40.3 1.0
N H:ASP7256 4.6 33.7 1.0

Reference:

Z.Yang, R.Batra, D.L.Floyd, H.-C.Hung, G.-G.Chang, L.Tong. Potent and Competitive Inhibition of Malic Enzymes By Lanthanide Ions Biochem.Biophys.Res.Commun. V. 274 440 2000.
ISSN: ISSN 0006-291X
PubMed: 10913357
DOI: 10.1006/BBRC.2000.3163
Page generated: Tue Aug 13 01:55:53 2024

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