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Receptor
PDB id Resolution Class Description Source Keywords
1Y42 1.95 Å EC: 6.1.1.1 CRYSTAL STRUCTURE OF A C-TERMINALLY TRUNCATED CYT-18 PROTEIN NEUROSPORA CRASSA CYT-18 TYROSYL TRNA SYNTHETASE TRNA LIGASE GROUP I INTRON
Ref.: A TYROSYL-TRNA SYNTHETASE ADAPTED TO FUNCTION IN GR INTRON SPLICING BY ACQUIRING A NEW RNA BINDING SURF MOL.CELL V. 17 417 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TYR X:701;
Valid;
none;
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181.189 C9 H11 N O3 c1cc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1Y42 1.95 Å EC: 6.1.1.1 CRYSTAL STRUCTURE OF A C-TERMINALLY TRUNCATED CYT-18 PROTEIN NEUROSPORA CRASSA CYT-18 TYROSYL TRNA SYNTHETASE TRNA LIGASE GROUP I INTRON
Ref.: A TYROSYL-TRNA SYNTHETASE ADAPTED TO FUNCTION IN GR INTRON SPLICING BY ACQUIRING A NEW RNA BINDING SURF MOL.CELL V. 17 417 2005
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 4OJM - TYR C9 H11 N O3 c1cc(ccc1C....
2 1Y42 - TYR C9 H11 N O3 c1cc(ccc1C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 4OJM - TYR C9 H11 N O3 c1cc(ccc1C....
2 1Y42 - TYR C9 H11 N O3 c1cc(ccc1C....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1WQ4 - TYR C9 H11 N O3 c1cc(ccc1C....
2 2YXN - AZY C9 H10 N4 O3 c1cc(c(cc1....
3 1WQ3 - IYR C9 H10 I N O3 c1cc(c(cc1....
4 1X8X - TYR C9 H11 N O3 c1cc(ccc1C....
5 1Y42 - TYR C9 H11 N O3 c1cc(ccc1C....
6 1JIL ic50 = 4 nM 485 C17 H24 N2 O8 C[C@@H]1[C....
7 2PID - YSA C19 H23 N7 O8 S c1cc(ccc1C....
8 1TYB - TYR C9 H11 N O3 c1cc(ccc1C....
9 4TS1 Kd = 11.6 uM TYR C9 H11 N O3 c1cc(ccc1C....
10 1TYD - TYR C9 H11 N O3 c1cc(ccc1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TYR; Similar ligands found: 30
No: Ligand ECFP6 Tc MDL keys Tc
1 TYR 1 1
2 DTY 1 1
3 TYC 0.694444 0.78125
4 PFF 0.657895 0.741935
5 4BF 0.615385 0.741935
6 PHI 0.615385 0.741935
7 TFQ 0.595238 0.666667
8 0A1 0.585366 0.9
9 7N8 0.585366 0.666667
10 4AF 0.585366 0.827586
11 4CF 0.571429 0.733333
12 PHE 0.564103 0.814815
13 DPN 0.564103 0.814815
14 34H 0.564103 0.666667
15 PBF 0.531915 0.8
16 PTR 0.521739 0.675
17 AEG 0.513514 0.689655
18 DAH 0.5 0.84375
19 3NF 0.478261 0.764706
20 TYE 0.475 0.8
21 IYR 0.468085 0.818182
22 YOF 0.468085 0.818182
23 4HP 0.447368 0.642857
24 2LT 0.444444 0.794118
25 485 0.442623 0.613636
26 E42 0.433962 0.9
27 33S 0.416667 0.741935
28 HPP 0.414634 0.655172
29 NAL 0.411765 0.766667
30 AZY 0.4 0.658537
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1Y42; Ligand: TYR; Similar sites found with APoc: 97
This union binding pocket(no: 1) in the query (biounit: 1y42.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 1C4Q GLA GAL BGC None
2 1GTE FMN 1.27551
3 1GTE IUR 1.27551
4 6MPT C30 1.3986
5 12AS AMP 1.51515
6 5BVE 4VG 1.66205
7 5N9T 8QQ 1.68067
8 5NXX 3Q7 1.86567
9 3GC8 B45 1.89189
10 4L3L 5FI 1.97368
11 1F9V ADP 2.01729
12 3C8Z 5CA 2.04082
13 1Z45 NAD 2.04082
14 2HAW 2PN 2.26537
15 4QAC KK3 2.30415
16 1KGI T4A 2.3622
17 5WA0 MSS 2.46575
18 5LU5 M7P 2.53807
19 5YS9 FAD 2.55102
20 3ZF8 GDP 2.62295
21 2GU8 796 2.67062
22 3ACL 3F1 2.7027
23 5T2U NAP 2.82258
24 2OJW ADP 2.86458
25 3T4L ZEA 2.96296
26 3ZGJ RMN 2.96496
27 2BJK NAD 3.06122
28 2GJ5 VD3 3.08642
29 6F3M NAD 3.31633
30 6AM8 PLT 3.31633
31 6ALW BNV 3.31633
32 4GCZ FMN 3.37662
33 5J75 6GQ 3.40909
34 4DZ1 DAL 3.4749
35 3TLC 7MD 3.50404
36 5A1T OXM 3.51906
37 4JE7 BB2 3.5533
38 5XWV 8H6 3.57143
39 5XWV NDP 3.57143
40 5ABH YWN 3.57143
41 1Z4O GL1 3.61991
42 3NYQ MCA 3.82653
43 3NYQ AMP 3.82653
44 3VZS NAP 3.89105
45 5XDT MB3 3.8961
46 1GNI OLA 4.08163
47 1R6T TYM 4.08163
48 5KJW 53C 4.08163
49 4YV5 SVR 4.09836
50 4L50 D8X 4.13534
51 1TT8 PHB 4.26829
52 5VM6 9EG 4.37956
53 2EWM NAD 4.41767
54 5F3I 5UJ 4.44444
55 5DK4 5BX 4.55927
56 5DK4 ATP 4.55927
57 4J75 TYM 4.59184
58 5D2H AKG 4.59364
59 2Z6D FMN 4.61538
60 2Z6C FMN 4.65116
61 3H0L ADP 4.84694
62 3DJF BC3 4.87805
63 3GRU AMP 5.08475
64 2CM4 RCL 5.33333
65 2BNJ XYP XYP AHR FER 5.61056
66 4PW9 MSS 5.66038
67 3P7N FMN 5.81395
68 5LRT ADP 5.86735
69 3OH3 UAD 6.12245
70 4R57 ACO 6.25
71 4TW7 37K 6.25
72 2QTR NXX 6.34921
73 3TYZ XHP 6.78571
74 3TYZ PAB 6.78571
75 6FA4 D1W 6.93642
76 4NG2 OHN 7.06522
77 1LRW PQQ 7.22892
78 5SVV FMN 7.29927
79 1N9L FMN 7.33945
80 6GNO XDI 7.40741
81 6D6L FY4 7.64706
82 1VA6 ADP 7.90816
83 6BQC LOP 8.094
84 1YQD NAP 8.19672
85 4HIA FMN 8.52273
86 6GG9 FMN 8.64198
87 4EN4 GT1 8.97436
88 4EN4 ATP 8.97436
89 6FKW PQQ 9.18367
90 2BMB PMM 9.69388
91 1OPK MYR 10.2041
92 2G36 TRP 13.2353
93 5C5H 4YB 13.4658
94 2PR5 FMN 14.3939
95 3VPH OXM 15.8065
96 3VPH NAD 15.8065
97 3WR7 COA 20
Pocket No.: 2; Query (leader) PDB : 1Y42; Ligand: TYR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1y42.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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