Receptor
PDB id Resolution Class Description Source Keywords
1D2A 1.9 Å EC: 3.1.3.48 CRYSTAL STRUCTURE OF A YEAST LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LTP1) COMPLEXED WITH THE ACTIVATOR A DENINE SACCHAROMYCES CEREVISIAE BETA-ALPHA-BETA TYROSINE PHOSPHATASE LTP1 HYDROLASE
Ref.: STRUCTURAL AND MECHANISTIC BASIS FOR THE ACTIVATION OF A LOW-MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE BY ADENINE. BIOCHEMISTRY V. 39 1234 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADE B:401;
Valid;
none;
submit data
135.127 C5 H5 N5 c1[nH...
CL A:404;
Invalid;
none;
submit data
35.453 Cl [Cl-]
PO4 A:402;
B:403;
Invalid;
Invalid;
none;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1D1Q 1.7 Å EC: 3.1.3.48 CRYSTAL STRUCTURE OF A YEAST LOW MOLECULAR WEIGHT PROTEIN TY PHOSPHATASE (LTP1) COMPLEXED WITH THE SUBSTRATE PNPP SACCHAROMYCES CEREVISIAE BETA-ALPHA-BETA HYDROLASE
Ref.: CRYSTAL STRUCTURES OF A LOW-MOLECULAR WEIGHT PROTEI TYROSINE PHOSPHATASE FROM SACCHAROMYCES CEREVISIAE COMPLEX WITH THE SUBSTRATE P-NITROPHENYL PHOSPHATE. BIOCHEMISTRY V. 39 1903 2000
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 1D2A - ADE C5 H5 N5 c1[nH]c2c(....
2 1D1Q - 4NP C6 H6 N O6 P c1cc(ccc1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 1D2A - ADE C5 H5 N5 c1[nH]c2c(....
2 1D1Q - 4NP C6 H6 N O6 P c1cc(ccc1[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 1D2A - ADE C5 H5 N5 c1[nH]c2c(....
2 1D1Q - 4NP C6 H6 N O6 P c1cc(ccc1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADE; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 ADE 1 1
2 PM6 0.5 0.742857
3 ES4 0.463415 0.685714
4 6AP 0.428571 0.9375
5 XQG 0.422222 0.648649
6 M02 0.411765 0.630435
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1D1Q; Ligand: 4NP; Similar sites found: 108
This union binding pocket(no: 1) in the query (biounit: 1d1q.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 3V0H I3P 8.849e-06 0.56248
2 3V0H I3P 1.001e-05 0.56051
3 1ZSQ PIB 5.022e-05 0.54927
4 4KYQ FLC 9.033e-05 0.5313
5 3P9Y N7P THR SEP PRO SER TYR SET 0.0001033 0.52818
6 1U26 IHS 0.0001078 0.5223
7 1U26 IHS 0.0001282 0.51528
8 1OHE ACE ALA SEP PRO 0.000103 0.51034
9 3F81 STT 2.073e-05 0.49924
10 3F81 STT 8.327e-06 0.49335
11 2OZ5 7XY 0.001486 0.48188
12 2OZ5 7XY 0.001481 0.48173
13 2IMG MLT 0.0001371 0.47994
14 4N82 FMN 0.003311 0.44752
15 4N82 FMN 0.003622 0.44516
16 2XOD FMN 0.006925 0.43351
17 2E3T FAD 0.01705 0.43265
18 3P2E SAH 0.008185 0.4325
19 3CGD NAD 0.04417 0.43045
20 3CGD FAD 0.04417 0.43045
21 3CGD COA 0.04417 0.43045
22 1RP0 AHZ 0.01447 0.43043
23 3P2E SAH 0.009066 0.42993
24 1V97 FAD 0.03482 0.42862
25 3C3N FMN 0.0242 0.42653
26 1JDC GLC GLC GLC GLC 0.01072 0.42559
27 1NCQ W11 0.01118 0.42503
28 4J4H 1J1 0.03111 0.42395
29 3GD4 NAD 0.04421 0.42363
30 3GD4 FAD 0.0329 0.42363
31 3GD4 NAD 0.04421 0.42363
32 3GD4 FAD 0.0329 0.42363
33 4J4H NAI 0.03832 0.42318
34 4J4H 1J1 0.03832 0.42318
35 1GR0 NAD 0.02472 0.4229
36 3GPO APR 0.01384 0.42205
37 3MJY IJZ 0.02561 0.42185
38 3MJY FMN 0.02561 0.42185
39 3GPO APR 0.01426 0.41967
40 4A3U FMN 0.01325 0.41751
41 1FIQ FAD 0.02833 0.41635
42 2Q1W NAD 0.02968 0.41623
43 3GPO APR 0.01616 0.41619
44 1HSK FAD 0.02732 0.41618
45 1T3Q FAD 0.03318 0.41585
46 1OVD FMN 0.0378 0.41572
47 1OVD ORO 0.0378 0.41572
48 2R4J FAD 0.04786 0.41486
49 2R4J 13P 0.04786 0.41486
50 1GTE FAD 0.04938 0.41442
51 1QDS PGA 0.01001 0.41437
52 1OFH ADP 0.01212 0.41394
53 4BMO FMN 0.02121 0.41343
54 1NVM NAD 0.03217 0.41306
55 2VHJ ADP 0.01631 0.41292
56 3DOE GTP 0.02165 0.41286
57 1N62 FAD 0.04063 0.41201
58 3IAE D7K 0.0295 0.41183
59 1FFU FAD 0.04095 0.41107
60 3L9W AMP 0.02875 0.41089
61 2Q1W NAD 0.03854 0.41088
62 4G74 FAD 0.03688 0.41072
63 3GPO APR 0.02184 0.4104
64 3OIX FMN 0.02628 0.41039
65 3OIX FMN 0.02628 0.41039
66 4JWF SAH 0.01899 0.40991
67 3F6R FMN 0.01857 0.40955
68 3F6R FMN 0.01586 0.40953
69 3SR4 TT8 0.04232 0.40906
70 4JWH SAH 0.02017 0.40792
71 1R4A GNP 0.02747 0.40784
72 3TLJ SAH 0.02793 0.40733
73 3OIX FMN 0.03039 0.40733
74 1IYE PGU 0.03817 0.40682
75 2BTM PGA 0.01286 0.40655
76 2CDU FAD 0.04171 0.40594
77 3IID APR 0.03154 0.4059
78 2JKY 5GP 0.01796 0.40573
79 2B4G FMN 0.03767 0.40509
80 4D02 FMN 0.02576 0.40416
81 1L7E NAI 0.03131 0.40411
82 2FAV APR 0.03218 0.4041
83 2VT3 ATP 0.01789 0.4039
84 2OZE AGS 0.02545 0.40378
85 4A62 ANP 0.02903 0.40365
86 3CTL S6P 0.02421 0.4036
87 3CTL S6P 0.02421 0.4036
88 1J2J GTP 0.03151 0.40346
89 1E5D FMN 0.0286 0.40338
90 1OFH ADP 0.02055 0.40299
91 3CTL S6P 0.02342 0.40259
92 3TAO PGH 0.01626 0.40259
93 3CTL S6P 0.0236 0.40245
94 1SW0 PGA 0.01826 0.40218
95 4A3U FMN 0.0243 0.40213
96 3A1I UNU 0.01549 0.40189
97 4JIQ 1L5 0.03597 0.40164
98 4JIQ FMN 0.03208 0.40164
99 2BFR ADP 0.03116 0.40155
100 1Q0S SAH 0.03913 0.40154
101 3BF1 ADP 0.03185 0.40116
102 3EWR APR 0.03533 0.4006
103 1PEA ACM 0.008028 0.40057
104 4HEQ FMN 0.02547 0.4005
105 1LYX PGA 0.02089 0.40042
106 1LYX PGA 0.02089 0.40042
107 3N39 FMN 0.03388 0.40025
108 3F6R FMN 0.02448 0.40001
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