Digestion of dietary lipid / triacylglycerol lipase activity / lipid metabolic process / calcium ion binding / extracellular region Similarity search - Function
#1: Journal: J.Biol.Chem. / Year: 1992 Title: Two novel human pancreatic lipase related proteins, hPLRP1 and hPLRP2. Differences in colipase dependence and in lipase activity Authors: Giller, T. / Buchwald, P. / Blum-Kaelin, D. / Hunziker, W.
Resolution: 2.2→35.92 Å / Cor.coef. Fo:Fc: 0.952 / Cor.coef. Fo:Fc free: 0.925 / SU B: 10.905 / SU ML: 0.146 / Cross valid method: THROUGHOUT / ESU R Free: 0.184 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. ATOM RECORD CONTAINS SUM OF TLS AND RESIDUAL B FACTORS. ANISOU RECORD CONTAINS SUM OF TLS AND RESIDUAL U FACTORS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.23289
1660
5.1 %
RANDOM
Rwork
0.18008
-
-
-
obs
0.18268
30748
99.75 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK
Displacement parameters
Biso mean: 40.03 Å2
Baniso -1
Baniso -2
Baniso -3
1-
2.29 Å2
0 Å2
0 Å2
2-
-
2.29 Å2
0 Å2
3-
-
-
-4.58 Å2
Refinement step
Cycle: LAST / Resolution: 2.2→35.92 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
3597
0
6
219
3822
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
X-RAY DIFFRACTION
r_bond_refined_d
0.011
0.022
3721
X-RAY DIFFRACTION
r_bond_other_d
X-RAY DIFFRACTION
r_angle_refined_deg
1.218
1.946
5056
X-RAY DIFFRACTION
r_angle_other_deg
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.936
5
472
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
39.496
24.826
172
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
15.636
15
592
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
19.414
15
15
X-RAY DIFFRACTION
r_chiral_restr
0.084
0.2
544
X-RAY DIFFRACTION
r_gen_planes_refined
0.004
0.02
2897
X-RAY DIFFRACTION
r_gen_planes_other
X-RAY DIFFRACTION
r_nbd_refined
0.2
0.2
1597
X-RAY DIFFRACTION
r_nbd_other
X-RAY DIFFRACTION
r_nbtor_refined
0.305
0.2
2514
X-RAY DIFFRACTION
r_nbtor_other
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.123
0.2
230
X-RAY DIFFRACTION
r_xyhbond_nbd_other
X-RAY DIFFRACTION
r_metal_ion_refined
0.123
0.2
9
X-RAY DIFFRACTION
r_metal_ion_other
X-RAY DIFFRACTION
r_symmetry_vdw_refined
0.212
0.2
28
X-RAY DIFFRACTION
r_symmetry_vdw_other
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.08
0.2
5
X-RAY DIFFRACTION
r_symmetry_hbond_other
X-RAY DIFFRACTION
r_symmetry_metal_ion_refined
0.12
0.2
1
X-RAY DIFFRACTION
r_symmetry_metal_ion_other
X-RAY DIFFRACTION
r_mcbond_it
2.134
3
2325
X-RAY DIFFRACTION
r_mcbond_other
X-RAY DIFFRACTION
r_mcangle_it
3.456
4
3748
X-RAY DIFFRACTION
r_scbond_it
4.561
5
1446
X-RAY DIFFRACTION
r_scangle_it
6.353
7
1308
X-RAY DIFFRACTION
r_rigid_bond_restr
X-RAY DIFFRACTION
r_sphericity_free
X-RAY DIFFRACTION
r_sphericity_bonded
LS refinement shell
Resolution: 2.2→2.258 Å / Total num. of bins used: 20
Rfactor
Num. reflection
% reflection
Rfree
0.324
125
-
Rwork
0.22
2189
-
obs
-
-
98.59 %
Refinement TLS params.
Method: refined / Refine-ID: X-RAY DIFFRACTION
ID
L11 (°2)
L12 (°2)
L13 (°2)
L22 (°2)
L23 (°2)
L33 (°2)
S11 (Å °)
S12 (Å °)
S13 (Å °)
S21 (Å °)
S22 (Å °)
S23 (Å °)
S31 (Å °)
S32 (Å °)
S33 (Å °)
T11 (Å2)
T12 (Å2)
T13 (Å2)
T22 (Å2)
T23 (Å2)
T33 (Å2)
Origin x (Å)
Origin y (Å)
Origin z (Å)
1
2.1799
-0.052
0.3123
2.8569
2.2759
6.6754
-0.068
0.0397
0.0573
-0.0365
0.2221
-0.2388
-0.2126
0.4789
-0.154
0.1064
-0.0366
0.0175
0.1691
-0.0107
0.2018
35.457
-10.231
14.186
2
1.1266
0.1357
0.7297
0.207
0.1979
1.893
-0.0025
0.0589
-0.0936
-0.0145
0.0496
-0.0116
0.0884
0.0866
-0.0471
0.184
-0.0063
0.0113
0.152
-0.0093
0.2013
14.753
-24.65
4.594
3
6.7435
1.1554
1.9902
1.121
-0.3922
1.3826
0.0473
-0.0764
-0.3627
-0.0146
0.003
-0.0561
0.0633
-0.0722
-0.0503
0.1884
0.0003
0.0146
0.1384
-0.029
0.1727
12.128
-26.671
12.588
4
0.9363
0.0031
0.9736
0.0042
0.0485
1.4985
-0.0508
0.1545
-0.0176
-0.0446
0.0172
-0.0507
-0.0483
0.1352
0.0336
0.2005
-0.0184
-0.0029
0.2054
0.0017
0.2085
20.892
-14.683
6.149
5
0.3511
-0.147
-0.1189
0.4573
-0.0735
0.9807
-0.0036
-0.0512
0.0013
-0.0173
0.0241
-0.0151
-0.0361
0.0164
-0.0205
0.1827
-0.0115
0.0069
0.1889
-0.0034
0.2029
17.251
-12.285
20.697
6
1.1221
-0.5673
-0.0165
3.215
-0.5932
1.3898
-0.0024
0.0005
0.027
0.0811
0.0396
0.0522
-0.0862
0.0206
-0.0372
0.1676
-0.0054
-0.0043
0.1825
-0.0173
0.1561
12.701
-15.333
31.08
7
6.3049
0.1156
-3.599
0.8333
-1.1357
10.2247
-0.0372
-0.2738
0.0255
0.2441
0.0346
0.019
0.1777
0.291
0.0026
0.2609
-0.0222
0.001
0.0671
-0.0003
0.1813
28.56
-25.093
33.006
8
1.2835
-0.3716
-0.0706
0.4059
-0.1347
0.8846
0.0054
-0.0023
-0.0269
-0.0094
-0.0068
0.0169
0.0589
-0.0421
0.0014
0.1718
-0.0209
0.0009
0.1676
0.0122
0.1929
4.263
-17.361
29.628
9
1.7191
0.4325
0.3133
4.3999
-2.3478
2.5123
0.0398
-0.0841
0.0968
0.0593
-0.0673
0.0924
-0.0176
-0.0035
0.0274
0.1331
0.0136
0.0151
0.1716
-0.0002
0.1728
3.264
-14.615
28.998
10
0.4782
0.1601
-1.4116
0.6471
-0.0187
4.5139
0.0623
0.0551
0.0008
0.0349
0.0688
0.0065
-0.0267
-0.1256
-0.1311
0.153
-0.0021
-0.0039
0.1915
0.001
0.1929
-10.992
-19.505
48.323
11
0.8891
0.9705
0.3857
1.8475
2.5384
6.614
-0.0194
-0.0124
-0.0777
0.0237
0.0618
-0.0793
0.1402
-0.0747
-0.0424
0.1594
0.0132
0.0026
0.1588
0.0133
0.1999
-11.752
-23.562
45.998
12
0.3431
0.1015
-0.4062
0.4598
-0.5998
3.3468
-0.0382
0.0026
-0.0167
-0.0225
0.0318
0.0153
-0.0046
-0.0963
0.0064
0.1484
0.0137
-0.0066
0.162
-0.0066
0.1886
-13.681
-21.553
48.128
13
2.4514
-0.1075
-0.7784
1.1721
-1.4182
4.6607
0.0433
0.0458
-0.1709
0.0114
-0.0187
0.0985
0.0598
-0.1981
-0.0246
0.1828
0.0096
-0.0102
0.224
-0.013
0.1903
-21.309
-20.365
46.897
Refinement TLS group
ID
Refine-ID
Refine TLS-ID
Auth asym-ID
Label asym-ID
Auth seq-ID
Label seq-ID
1
X-RAY DIFFRACTION
1
A
A
17 - 48
25 - 56
2
X-RAY DIFFRACTION
2
A
A
49 - 100
57 - 108
3
X-RAY DIFFRACTION
3
A
A
101 - 130
109 - 138
4
X-RAY DIFFRACTION
4
A
A
131 - 162
139 - 170
5
X-RAY DIFFRACTION
5
A
A
163 - 231
171 - 239
6
X-RAY DIFFRACTION
6
A
A
232 - 256
240 - 264
7
X-RAY DIFFRACTION
7
A
A
257 - 273
265 - 281
8
X-RAY DIFFRACTION
8
A
A
274 - 330
282 - 338
9
X-RAY DIFFRACTION
9
A
A
331 - 353
339 - 361
10
X-RAY DIFFRACTION
10
A
A
354 - 373
362 - 381
11
X-RAY DIFFRACTION
11
A
A
374 - 396
382 - 404
12
X-RAY DIFFRACTION
12
A
A
397 - 443
405 - 451
13
X-RAY DIFFRACTION
13
A
A
444 - 468
452 - 476
+
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