Receptor
PDB id Resolution Class Description Source Keywords
4JOB 2.17 Å EC: 3.1.3.2 CRYSTAL STRUCTURE OF HUMAN LYSOPHOSPHATIDIC ACID PHOSPHATASE COMPLEXED WITH L-(+)-TARTRATE HOMO SAPIENS HYDROLASE ROSSMANN FOLD MITOCHONDRIA
Ref.: CRYSTAL STRUCTURES AND BIOCHEMICAL STUDIES OF HUMAN LYSOPHOSPHATIDIC ACID PHOSPHATASE TYPE 6 PROTEIN CELL V. 4 548 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TLA A:501;
Valid;
none;
submit data
150.087 C4 H6 O6 [C@@H...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4JOB 2.17 Å EC: 3.1.3.2 CRYSTAL STRUCTURE OF HUMAN LYSOPHOSPHATIDIC ACID PHOSPHATASE COMPLEXED WITH L-(+)-TARTRATE HOMO SAPIENS HYDROLASE ROSSMANN FOLD MITOCHONDRIA
Ref.: CRYSTAL STRUCTURES AND BIOCHEMICAL STUDIES OF HUMAN LYSOPHOSPHATIDIC ACID PHOSPHATASE TYPE 6 PROTEIN CELL V. 4 548 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 4JOB - TLA C4 H6 O6 [C@@H]([C@....
2 4JOC - MLA C3 H4 O4 C(C(=O)O)C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 4JOB - TLA C4 H6 O6 [C@@H]([C@....
2 4JOC - MLA C3 H4 O4 C(C(=O)O)C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4JOB - TLA C4 H6 O6 [C@@H]([C@....
2 4JOC - MLA C3 H4 O4 C(C(=O)O)C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TLA; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 SRT 1 1
2 TLA 1 1
3 TAR 1 1
4 RAT 0.588235 1
5 GAE 0.588235 1
6 LGT 0.588235 1
7 LAC 0.5 0.611111
8 2OP 0.5 0.611111
9 IPM 0.47619 0.8
10 LFC 0.434783 0.777778
11 ICT 0.416667 0.727273
12 DXX 0.411765 0.777778
13 MAK 0.4 0.941176
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4JOB; Ligand: TLA; Similar sites found: 85
This union binding pocket(no: 1) in the query (biounit: 4job.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2J62 GSZ 0.01731 0.40075 1.51515
2 4INI AMP 0.0003553 0.46909 1.53846
3 1IYE PGU 0.02554 0.40275 1.61812
4 2J0W ADP 0.02302 0.41648 1.76768
5 4R5Z SIN 0.001926 0.46704 1.90736
6 4R5Z PMP 0.003774 0.45756 1.90736
7 3H55 GLA 0.00522 0.43045 2.52525
8 3SWG EPZ 0.04213 0.40192 2.52525
9 1NT4 G1P 0.0000005475 0.60236 2.55754
10 1TIP F6P 0.003527 0.4494 2.6178
11 4P5E N6P 0.01579 0.40921 2.63158
12 1UAS GLA 0.004027 0.42813 2.77778
13 3KLL MAL 0.02183 0.41819 2.77778
14 4ARU TLA 0.0000008826 0.58384 3.28283
15 1YBH P22 0.02944 0.41585 3.28283
16 2WZF BGC 0.003859 0.41342 3.28283
17 3NTA COA 0.0275 0.40322 3.28283
18 1Z0F GDP 0.004463 0.40153 3.28283
19 3CKJ CIT 0.03055 0.40601 3.34347
20 3N1S 5GP 0.001506 0.43083 3.36134
21 4FDU IHS 0.000007565 0.54599 3.53535
22 3C1M ANP 0.04109 0.40163 3.53535
23 2I8T GDD 0.01219 0.40507 3.59281
24 4O4F ATP 0.009016 0.43177 3.62903
25 2VDV SAM 0.01927 0.41143 3.65854
26 1RYA GDP 0.01711 0.40264 3.75
27 5I2E 67D 0.01232 0.40607 3.87597
28 1N0U SO1 0.02196 0.40419 4.0404
29 2NYR SVR 0.04533 0.40816 4.05904
30 1A8R GTP 0.00809 0.4218 4.0724
31 1WUR 8DG 0.009042 0.4292 4.09091
32 3VKC FPQ 0.02677 0.40196 4.1958
33 3NTD COA 0.01633 0.41296 4.29293
34 3WO0 ALA 0.04301 0.40522 4.29293
35 4WN5 MVC 0.01334 0.41496 4.34783
36 1HDO NAP 0.03535 0.40202 4.36893
37 1UU1 PMP HSA 0.009627 0.43956 4.47761
38 4XBA GMP 0.001568 0.42159 4.5
39 4XBA 5GP 0.001842 0.4179 4.5
40 4UUG PXG 0.01609 0.40251 4.51807
41 3A28 NAD 0.03754 0.41014 4.65116
42 1RM4 NDP 0.01816 0.4223 5.04451
43 3RDE OYP 0.006341 0.41505 5.05051
44 4FDV 0UK 0.02555 0.43251 5.26316
45 5XLY C2E 0.01298 0.40447 5.26316
46 3VPC ADP 0.0386 0.40002 5.31915
47 2GTE VA 0.01126 0.43372 5.64516
48 1YMT DR9 0.02667 0.4066 5.69106
49 2OD9 A1R NCA 0.002505 0.46419 5.84416
50 4Q5M ROC 0.04933 0.41417 5.91133
51 4DOL PLM 0.01306 0.40989 5.99078
52 5F91 5WJ 0.007538 0.42178 6.06061
53 1BQ4 BHC 0.02162 0.4011 6.09756
54 4CMF PXG 0.005421 0.43417 6.52174
55 1KAO GDP 0.02138 0.4062 6.58683
56 2B4R AES 0.04894 0.40007 6.66667
57 2HVW DDN 0.001176 0.47788 7.06522
58 4LRZ ADP 0.02042 0.41851 7.07071
59 1GS5 NLG 0.008973 0.45224 7.75194
60 4KCT FDP 0.04704 0.40176 7.81563
61 4A3R CIT 0.0242 0.42857 7.82828
62 1OFD FMN 0.01628 0.40154 7.82828
63 4NVQ SAH 0.01928 0.42359 8.07018
64 4NVQ 2OD 0.02009 0.42359 8.07018
65 5T0K SAM 0.01028 0.42024 8.18505
66 5JIY SAM 0.015 0.40898 8.39416
67 3DAA PDD 0.01194 0.40014 8.66426
68 4AZ3 S35 0.01632 0.40686 9
69 2P9H IPT 0.01283 0.4003 9.29368
70 4A4X JUP 0.007639 0.42956 9.319
71 5C79 PBU 0.004379 0.41146 9.33333
72 3L4N GSH 0.00844 0.41008 9.44882
73 3K4Q IHS 0.0000007972 0.61427 9.84848
74 3FDZ DG2 0.002522 0.41652 10.5058
75 2PUL ACP 0.009999 0.41173 10.6061
76 2CJF RP4 0.0361 0.40889 11.465
77 3QUR FM4 0.03595 0.41474 12.2378
78 4WT2 3UD 0.02807 0.40812 12.381
79 3OI7 OI7 0.001227 0.43587 13.0137
80 3A6T 8OG 0.008465 0.41531 13.1783
81 2ZWA SAH 0.01237 0.42218 14.6465
82 4OIV XX9 0.009884 0.43934 16.8142
83 4IJ6 SEP 0.005116 0.40665 18.4834
84 5CDH TLA 0.00000005815 0.63581 31.3131
85 5G5W R8C 0.02419 0.40727 42.8571
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