Receptor
PDB id Resolution Class Description Source Keywords
4ZTD 2.2 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF HUMAN PCNA IN COMPLEX WITH A TRAIP PEPT HOMO SAPIENS PCNA TRAIP COMPLEX REPLICATION
Ref.: TRAIP IS A PCNA-BINDING UBIQUITIN LIGASE THAT PROTE GENOME STABILITY AFTER REPLICATION STRESS. J.CELL BIOL. V. 212 63 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA GLY ALA GLY ALA F:461;
Valid;
Atoms found LESS than expected: % Diff = 0.042;
submit data
330.365 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ZTD 2.2 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF HUMAN PCNA IN COMPLEX WITH A TRAIP PEPT HOMO SAPIENS PCNA TRAIP COMPLEX REPLICATION
Ref.: TRAIP IS A PCNA-BINDING UBIQUITIN LIGASE THAT PROTE GENOME STABILITY AFTER REPLICATION STRESS. J.CELL BIOL. V. 212 63 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 4ZTD - ALA GLY ALA GLY ALA n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 65 families.
1 4ZTD - ALA GLY ALA GLY ALA n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 43 families.
1 4ZTD - ALA GLY ALA GLY ALA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ALA GLY ALA GLY ALA; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA GLY ALA GLY ALA 1 1
2 ALA GLY ALA ALA 0.729167 0.96875
3 ALA GLY GLY ALA ALA ALA ALA ALA 0.586207 0.969697
4 GLY SER ILE THR THR LEU GLY LYS PHE GLY 0.4375 0.761905
5 GLY 5GG GLY ALA 0.408451 0.794872
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4ZTD; Ligand: ALA GLY ALA GLY ALA; Similar sites found: 64
This union binding pocket(no: 1) in the query (biounit: 4ztd.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4K55 H6P 0.0006875 0.46481 None
2 3AR5 TM1 0.008534 0.44045 1.97628
3 12AS AMP 0.009259 0.43644 1.97628
4 1M15 ADP 0.01456 0.43086 1.97628
5 1M15 ARG 0.01456 0.43086 1.97628
6 2RCU BUJ 0.01468 0.44659 2.37154
7 3KRR DQX 0.02589 0.43483 2.37154
8 3QXV MTX 0.0009852 0.47744 2.38095
9 3E9I XAH 0.005436 0.44719 2.7668
10 5VFC 9BA 0.01968 0.41856 2.7668
11 4CLI 5P8 0.03958 0.41435 2.7668
12 1W96 S1A 0.02491 0.40481 2.7668
13 2E5A LAQ 0.02541 0.40462 2.7668
14 3IWJ NAD 0.01629 0.4008 2.7668
15 5W4W 9WG 0.01645 0.42357 3.02115
16 5XDT ZI7 0.007328 0.44806 3.16206
17 4L3L 5FI 0.01878 0.42233 3.16206
18 3CBC DBS 0.005282 0.4204 3.53535
19 3REU ATP 0.001003 0.4767 3.55731
20 2Y6Q I7T 0.04995 0.4103 3.55731
21 5IXH OTP 0.02314 0.43142 3.72671
22 4XMF HSM 0.001089 0.42302 3.80435
23 3FW4 CAQ 0.02083 0.42147 3.93258
24 1G51 AMO 0.007798 0.44229 3.95257
25 4HWT 1B2 0.003631 0.43949 3.95257
26 3ZNN FAD 0.02457 0.43392 3.95257
27 3ZNN 4WL 0.02457 0.43392 3.95257
28 5C5H 4YB 0.04086 0.40332 3.95257
29 3G1Z AMP 0.01592 0.40209 3.95257
30 5KF6 NAD 0.02998 0.40132 3.95257
31 4H2W 5GP 0.000406 0.50057 4.34783
32 4H2W AMP 0.0005092 0.49122 4.34783
33 1WLE SRP 0.006096 0.42999 4.34783
34 4WOE ADP 0.0009669 0.42959 4.34783
35 5HES 032 0.01482 0.41589 4.34783
36 5JSD ACY 1GN GAL 1GN BGC ACY GAL BGC 0.04504 0.40896 4.34783
37 1LSH PLD 0.01593 0.42958 5.01567
38 3E85 BSU 0.02586 0.42181 5.06329
39 3BJU ATP 0.01624 0.4045 5.13834
40 1Y7P RIP 0.004591 0.40808 5.38117
41 3A5Y KAA 0.02964 0.40399 5.5336
42 4Y24 TD2 0.0136 0.4074 5.84416
43 5BVE 4VG 0.04674 0.41915 5.92885
44 5TV6 PML 0.0126 0.40504 6.25
45 3ZJX BOG 0.007453 0.40088 6.32411
46 3A7R LAQ 0.01327 0.42924 7.11462
47 1QZR ANP 0.03516 0.40773 7.11462
48 3OV6 MK0 0.0405 0.40271 7.80856
49 3L9R L9Q 0.03461 0.41588 7.90514
50 5J8O 6GZ 0.0281 0.40058 8.06452
51 3SAO DBH 0.004454 0.4065 8.125
52 5KJW 53C 0.003086 0.42784 8.3004
53 5DQ8 FLF 0.0087 0.43736 8.33333
54 3QSB 743 0.0003125 0.49051 8.69565
55 1O9J NAD 0.008248 0.43449 8.69565
56 4K3P ACE GLN LEU ALA LEU PHE 0.00003232 0.40183 8.69565
57 4Y2H 49K 0.01949 0.4272 9.48617
58 4Y2H SAH 0.03372 0.4163 9.48617
59 4TSZ ACE GLN ALC ASP LEU ZCL 0.00001897 0.43123 9.88142
60 5J75 6GQ 0.01134 0.4138 10.6719
61 1KGI T4A 0.01125 0.43076 11.0236
62 3H0L ADP 0.0151 0.40266 13.8298
63 2PT9 2MH 0.0465 0.40765 16.2055
64 1Y63 ADP 0.01523 0.40867 16.8478
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