Receptor
PDB id Resolution Class Description Source Keywords
2IMG 1.93 Å EC: 3.1.3.16 CRYSTAL STRUCTURE OF DUAL SPECIFICITY PROTEIN PHOSPHATASE 23 FROM HOMO SAPIENS IN COMPLEX WITH LIGAND MALATE ION HOMO SAPIENS DUSP23 VHZ LDP-3 DUAL SPECICITY PROTEIN PHOSPHATASE 23 DUS23_HUMAN MALATE 8673A STRUCTURAL GENOMICS PSI PROTEIN STRUCTURE INITIATIVE NEW YORK SGX RESEARCH CENTER FOR STRUCTURAL GENOMICS NYSGXRC HYDROLASE
Ref.: STRUCTURE OF HUMAN DUAL SPECIFICITY PROTEIN PHOSPHATASE 23, VHZ, ENZYME-SUBSTRATE/PRODUCT COMPLEX. J.BIOL.CHEM. V. 283 8946 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MLT A:501;
Valid;
none;
submit data
134.087 C4 H6 O5 C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2IMG 1.93 Å EC: 3.1.3.16 CRYSTAL STRUCTURE OF DUAL SPECIFICITY PROTEIN PHOSPHATASE 23 FROM HOMO SAPIENS IN COMPLEX WITH LIGAND MALATE ION HOMO SAPIENS DUSP23 VHZ LDP-3 DUAL SPECICITY PROTEIN PHOSPHATASE 23 DUS23_HUMAN MALATE 8673A STRUCTURAL GENOMICS PSI PROTEIN STRUCTURE INITIATIVE NEW YORK SGX RESEARCH CENTER FOR STRUCTURAL GENOMICS NYSGXRC HYDROLASE
Ref.: STRUCTURE OF HUMAN DUAL SPECIFICITY PROTEIN PHOSPHATASE 23, VHZ, ENZYME-SUBSTRATE/PRODUCT COMPLEX. J.BIOL.CHEM. V. 283 8946 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 2IMG - MLT C4 H6 O5 C([C@H](C(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 2IMG - MLT C4 H6 O5 C([C@H](C(....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 2IMG - MLT C4 H6 O5 C([C@H](C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MLT; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 DMR 1 1
2 LMR 1 1
3 MLT 1 1
4 DGY 0.52381 0.818182
5 3HG 0.52381 0.761905
6 3HR 0.5 0.666667
7 3HL 0.5 0.666667
8 TRC 0.478261 0.666667
9 2HG 0.461538 0.809524
10 S2G 0.461538 0.809524
11 2RH 0.458333 0.652174
12 ICT 0.444444 0.904762
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2IMG; Ligand: MLT; Similar sites found: 73
This union binding pocket(no: 1) in the query (biounit: 2img.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 154L NAG NAG NAG 0.009182 0.43142 None
2 1JDC GLC GLC GLC GLC 0.01418 0.42573 None
3 1LOJ URI 0.004374 0.40382 None
4 1LOJ U 0.00447 0.4034 None
5 1QZR ANP 0.006343 0.44921 1.98676
6 1QZR CDX 0.02202 0.44921 1.98676
7 4TSK NDP 0.02035 0.42013 2.64901
8 2ANK N12 0.01904 0.41271 2.64901
9 1A8U BEZ 0.004452 0.41008 2.64901
10 5KQG 6VX 0.000137 0.4311 3.31126
11 3PH4 AOS 0.01388 0.4083 3.31126
12 1T57 FMN 0.02098 0.40561 3.31126
13 2X2T GAL NGA 0.002726 0.44267 3.97351
14 2QXX TTP 0.0123 0.42692 3.97351
15 5X40 ACP 0.01904 0.41364 3.97351
16 1JQI FAD 0.04063 0.40597 3.97351
17 3K7S R52 0.00073 0.40526 3.97351
18 2PK3 A2R 0.02222 0.40175 3.97351
19 1SOW NAD 0.03755 0.40084 3.97351
20 1PVS 7HP 0.002559 0.43769 4.63576
21 4JB1 NAP 0.04093 0.42585 4.63576
22 4JB1 FAD 0.04207 0.42585 4.63576
23 1T90 NAD 0.01708 0.41982 4.63576
24 2WOX NDP 0.01956 0.418 4.63576
25 2F3R G5P 0.02536 0.41356 4.63576
26 2JLR ANP 0.01759 0.41127 4.63576
27 1QK3 5GP 0.03093 0.40905 4.63576
28 3EYA FAD 0.04084 0.40596 4.63576
29 1HQL GLA MBG 0.008056 0.40301 4.63576
30 1U2Z SAH 0.03249 0.40058 4.63576
31 3HGM ATP 0.01365 0.42326 4.7619
32 1D1Q 4NP 0.0001371 0.47994 5.29801
33 4MIG G3F 0.01758 0.44674 5.29801
34 3IWK NAD 0.008558 0.42325 5.29801
35 1F2U ATP 0.02279 0.41359 5.40541
36 3QKT ANP 0.01573 0.41853 5.96026
37 3OIX FMN 0.01769 0.41365 5.96026
38 1TLL FMN 0.01953 0.41163 5.96026
39 4LFL TG6 0.000645 0.40664 5.96026
40 5GXU FMN 0.01947 0.40418 5.96026
41 3Q9N COA 0.04149 0.40056 6.38298
42 1RM4 NDP 0.02326 0.41311 6.62252
43 4L2I FAD 0.04722 0.40794 6.62252
44 2C91 NAP 0.04466 0.40581 6.62252
45 3O03 NAP 0.02344 0.4139 7.28477
46 3HQP FDP 0.01402 0.40353 7.28477
47 2OZ5 7XY 0.0001256 0.54627 7.94702
48 3QCJ NX4 0.03113 0.41264 7.94702
49 2ZW5 COA 0.0197 0.41171 7.94702
50 4HXY NDP 0.009567 0.43707 8.60927
51 3HVJ 705 0.03387 0.40891 8.60927
52 2A9K GDP 0.01917 0.4059 8.60927
53 1ZSQ PIB 0.000004395 0.61343 9.27152
54 2I4O ATP 0.02688 0.42056 9.27152
55 3PXP MYR 0.02362 0.40566 9.27152
56 4DE1 0J6 0.008006 0.41859 11.2583
57 3G35 F13 0.01352 0.41604 11.2583
58 2A14 SAH 0.01577 0.41962 11.9205
59 1E5D FMN 0.03299 0.4048 12.5828
60 1PA9 CSN 0.000000002955 0.56025 13.245
61 1U26 IHS 0.0000007512 0.64269 13.9073
62 4KQW NAP 0.01716 0.43291 13.9073
63 2FCR FMN 0.01772 0.40814 13.9073
64 3TO7 COA 0.03372 0.40064 14.5695
65 2H04 4UN 0.0000008727 0.64369 17.2185
66 3V0H I3P 0.000004001 0.58235 19.8675
67 5IXJ THR 0.01498 0.43479 19.8675
68 4KYQ FLC 0.00001556 0.42641 19.8675
69 3O5X JZG 0.000001657 0.48304 21.1921
70 2CJZ PTR 0.000006773 0.56905 25.1656
71 4J51 N75 0.0000164 0.54906 27.8146
72 3RGQ 5P5 0.00001507 0.50767 37.7483
73 1OHE ACE ALA SEP PRO 0.000001011 0.62151 43.7086
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