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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 TAR 1 1
2 TLA 1 1
3 SRT 1 1
4 RAT 0.588235 1
5 LGT 0.588235 1
6 GAE 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 with APoc: 111
This union binding pocket(no: 1) in the query (biounit: 4job.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 5Y0T TAT 1.51515
2 2J62 GSZ 1.51515
3 3PFD FDA 1.52672
4 4INI AMP 1.53846
5 1IYE PGU 1.61812
6 6HOY TSN 1.65563
7 6HOY AR6 1.65563
8 2J0W ADP 1.76768
9 5NLM IOS 1.76768
10 4NDO ATP 1.85185
11 4R5Z SIN 1.90736
12 4R5Z PMP 1.90736
13 3H55 GLA 2.52525
14 3SWG EPZ 2.52525
15 1NT4 G1P 2.55754
16 1TIP F6P 2.6178
17 4P5E N6P 2.63158
18 3ANY 2A3 2.6616
19 1UAS GLA 2.77778
20 3KLL MAL 2.77778
21 3IQE F42 2.82686
22 6CBO DOW 2.96128
23 3L4S 3PG 2.97619
24 4NJH SAM 3.04348
25 4NJH 2K8 3.04348
26 4ARU TLA 3.28283
27 2WZF BGC 3.28283
28 3NTA COA 3.28283
29 1Z0F GDP 3.28283
30 3CKJ CIT 3.34347
31 3N1S 5GP 3.36134
32 4FDU IHS 3.53535
33 3C1M ANP 3.53535
34 2I8T GDD 3.59281
35 4O4F ATP 3.62903
36 2VDV SAM 3.65854
37 5OSW DIU 4.0404
38 1N0U SO1 4.0404
39 1A8R GTP 4.0724
40 1WUR 8DG 4.09091
41 3VKC FPQ 4.1958
42 3NTD COA 4.29293
43 3WO0 ADP 4.29293
44 3WO0 ALA 4.29293
45 4WN5 MVC 4.34783
46 2H6T IVA VAL VAL STA ALA STA 4.41176
47 1UU1 PMP HSA 4.47761
48 4XBA GMP 4.5
49 4XBA 5GP 4.5
50 4UUG PXG 4.51807
51 6GG9 FMN 4.54545
52 3A28 NAD 4.65116
53 5XNC MTA 4.85175
54 1RM4 NDP 5.04451
55 3RDE OYP 5.05051
56 4FDV 0UK 5.26316
57 5XLY C2E 5.26316
58 3VPC ADP 5.31915
59 1B55 4IP 5.32544
60 2GTE VA 5.64516
61 1YMT DR9 5.69106
62 2OD9 A1R NCA 5.84416
63 5EJ2 NAD 5.84416
64 4DOL PLM 5.99078
65 5F91 5WJ 6.06061
66 1BQ4 BHC 6.09756
67 4IX4 ADP 6.31313
68 5ZBL AMP 6.40394
69 1KAO GDP 6.58683
70 2B4R AES 6.66667
71 2B4R NAD 6.66667
72 2HVW DDN 7.06522
73 4LRZ ADP 7.07071
74 1GS5 NLG 7.75194
75 1GS5 ANP 7.75194
76 4KCT PYR 7.81563
77 1OFD FMN 7.82828
78 4NVQ 2OD 8.07018
79 4NVQ SAH 8.07018
80 6EXF LYS 8.08081
81 5T0K SAM 8.18505
82 5JIY SAM 8.39416
83 3DAA PDD 8.66426
84 4AZ3 S35 9
85 2P9H IPT 9.29368
86 4A4X JUP 9.319
87 5C79 PBU 9.33333
88 3L4N GSH 9.44882
89 3K4Q IHS 9.84848
90 5W19 9TD 10.101
91 5J60 FAD 10.3125
92 3FDZ DG2 10.5058
93 2PUL ACP 10.6061
94 4CE5 PDG 10.8108
95 2CJF RP4 11.465
96 2J4K U5P 11.5044
97 4RDI ATP 12.1528
98 3QUR ADP 12.2378
99 3QUR FM4 12.2378
100 6ECU SAH 12.3418
101 4WT2 3UD 12.381
102 3OI7 OI7 13.0137
103 3A6T 8OG 13.1783
104 2ZWA SAH 14.6465
105 5XFH NAG MAN BMA MAN NAG GAL 15.1724
106 4OIV XX9 16.8142
107 4IJ6 SEP 18.4834
108 2IMF TOM 21.6749
109 2IMF GSH 21.6749
110 5CDH TLA 31.3131
111 5G5W R8C 42.8571
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