Receptor
PDB id Resolution Class Description Source Keywords
4ZBY 1.7 Å EC: 3.2.2.27 FAMILY 4 URACIL-DNA GLYCOSYLASE FROM SULFOLOBUS TOKODAII (UR COMPLEX FORM) SULFOLOBUS TOKODAII STR. 7 URACIL-DNA GLYCOSYLASE DNA REPAIR HYDROLASE
Ref.: CRYSTAL STRUCTURE OF FAMILY 4 URACIL-DNA GLYCOSYLAS SULFOLOBUS TOKODAII AND A FUNCTION OF TYROSINE 170 BINDING FEBS LETT. V. 589 2675 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SF4 A:201;
Part of Protein;
none;
submit data
351.64 Fe4 S4 [S]12...
MES A:203;
Invalid;
none;
submit data
195.237 C6 H13 N O4 S C1COC...
URA A:202;
Valid;
none;
submit data
112.087 C4 H4 N2 O2 C1=CN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ZBY 1.7 Å EC: 3.2.2.27 FAMILY 4 URACIL-DNA GLYCOSYLASE FROM SULFOLOBUS TOKODAII (UR COMPLEX FORM) SULFOLOBUS TOKODAII STR. 7 URACIL-DNA GLYCOSYLASE DNA REPAIR HYDROLASE
Ref.: CRYSTAL STRUCTURE OF FAMILY 4 URACIL-DNA GLYCOSYLAS SULFOLOBUS TOKODAII AND A FUNCTION OF TYROSINE 170 BINDING FEBS LETT. V. 589 2675 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4ZBY - URA C4 H4 N2 O2 C1=CNC(=O)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4ZBY - URA C4 H4 N2 O2 C1=CNC(=O)....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4ZBY - URA C4 H4 N2 O2 C1=CNC(=O)....
2 1UI0 Ki = 88 nM URA C4 H4 N2 O2 C1=CNC(=O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: URA; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 URA 1 1
2 TUL 0.5 0.725
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4ZBY; Ligand: URA; Similar sites found: 80
This union binding pocket(no: 1) in the query (biounit: 4zby.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1ZBQ NAD 0.04843 0.40167 1.03093
2 5VKT NAP 0.02984 0.40826 1.54639
3 3E7O 35F 0.04387 0.40095 1.54639
4 2I8T GDD 0.01193 0.42361 1.79641
5 5XDT MB3 0.0195 0.4075 1.94805
6 5XDT GDP 0.01471 0.4075 1.94805
7 5XDT ZI7 0.04756 0.4016 1.94805
8 2EUG URA 0.0002589 0.46366 2.06186
9 4Y93 746 0.018 0.42388 2.06186
10 4GID 0GH 0.04478 0.43907 2.57732
11 4X8O AP5 0.04122 0.41351 2.57732
12 4CQM NAP 0.02891 0.4127 2.57732
13 1WOQ BGC 0.02359 0.40295 2.57732
14 3FCI 3FI 0.0001053 0.49986 3.09278
15 1YB5 NAP 0.01551 0.4201 3.09278
16 5M7P ADP 0.02209 0.41085 3.09278
17 3BXF FBP 0.0266 0.40406 3.09278
18 1PS9 FMN 0.01474 0.40159 3.09278
19 4O97 NTX 0.0319 0.40051 3.09278
20 5EW9 5VC 0.02862 0.45783 3.60825
21 5TTJ FAD 0.02927 0.41534 3.60825
22 1HXD BTN 0.01012 0.41532 3.60825
23 2X3N FAD 0.04012 0.41327 3.60825
24 3P4X ADP 0.01284 0.40704 3.60825
25 4FWE FAD 0.03718 0.4059 3.60825
26 3CTL S6P 0.02734 0.40382 3.60825
27 1OJ7 NZQ 0.009694 0.44208 4.12371
28 1LH0 ORO 0.005007 0.4355 4.12371
29 1LH0 PRP 0.0119 0.4355 4.12371
30 3MWL 8OX 0.008627 0.41866 4.12371
31 5EOW FAD 0.02857 0.41761 4.12371
32 4KBF AMP 0.01098 0.41761 4.12371
33 5JF2 SF7 0.01696 0.41547 4.12371
34 3RG9 NDP 0.04566 0.41389 4.12371
35 3RG9 WRA 0.04891 0.41389 4.12371
36 5VSM 5AD 0.02332 0.4141 4.63918
37 1VKJ A3P 0.03225 0.40194 4.63918
38 5UKL SIX 0.0398 0.40499 5.01475
39 2I4I AMP 0.005567 0.4432 5.15464
40 5LMK 6ZK 0.01474 0.41709 5.15464
41 2JGV ADP 0.01405 0.40392 5.15464
42 2E5V FAD 0.03235 0.41431 5.6701
43 5FAH 5VT 0.02082 0.40902 5.6701
44 5O4J PJL 0.0467 0.40568 5.6701
45 5O4J SAH 0.04844 0.40487 5.6701
46 5O4J 9KH 0.04844 0.40487 5.6701
47 1UDH URA 0.00001204 0.54869 6.18557
48 3HVJ 705 0.01646 0.42225 6.18557
49 2ZB4 NAP 0.03966 0.411 6.18557
50 2ZB4 5OP 0.04105 0.411 6.18557
51 5EFQ ADP 0.01016 0.42076 6.70103
52 3SVJ 4LI 0.0174 0.41675 6.70103
53 4NST ADP 0.01356 0.41353 6.70103
54 4CL6 7SB 0.02412 0.40153 7.01754
55 4WS6 WBU 0.0000002617 0.63394 7.2165
56 3B7G ANP 0.004792 0.43372 7.2165
57 2ZB3 NDP 0.03942 0.40044 7.2165
58 1FFU CDP 0.02918 0.41143 7.73196
59 4B2D FBP 0.0134 0.40853 7.73196
60 1X7D NAD 0.007256 0.43666 8.24742
61 5H9I XAN 0.0000001064 0.59363 8.76289
62 4UTW RFW 0.01144 0.42667 8.76289
63 1QK3 5GP 0.02332 0.40717 8.76289
64 1LK7 DER 0.00325 0.42278 9.27835
65 1JG3 ADN 0.006961 0.41358 9.79381
66 2OKL BB2 0.03084 0.40038 10.8108
67 1R37 NAD 0.03767 0.41876 11.8557
68 3B0P FMN 0.01691 0.41456 11.8557
69 1OZH HE3 0.02358 0.43076 12.8866
70 1O94 ADP 0.02673 0.40302 12.8866
71 5C03 AGS 0.01642 0.41615 13.4021
72 4CTA ATP 0.01592 0.41026 13.9175
73 2FV5 541 0.02251 0.41954 14.9485
74 1ON3 MCA 0.04511 0.40122 14.9485
75 1ZOT EMA 0.01118 0.41111 15.942
76 4XJ7 ADE 0.005543 0.42 15.9794
77 1J0D 5PA 0.02975 0.40884 15.9794
78 3UTU 1TS 0.01768 0.42992 16.6667
79 5L0U 660 0.02537 0.41318 16.6667
80 1O0D 163 0.02401 0.40245 16.6667
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