Receptor
PDB id Resolution Class Description Source Keywords
1ui0 1.5 Å EC: 3.2.2.- CRYSTAL STRUCTURE OF URACIL-DNA GLYCOSYLASE FROM THERMUS THERMOPHILUS HB8 THERMUS THERMOPHILUS BASE EXCISION REPAIR URACIL-DNA GLYCOSYLASE IRON/SULFER CLUSTER THERMOPHILE RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI STRUCTURAL GENOMICS HYDROLASE
Ref.: CRYSTAL STRUCTURE OF A FAMILY 4 URACIL-DNA GLYCOSYLASE FROM THERMUS THERMOPHILUS HB8 J.MOL.BIOL. V. 333 515 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SF4 A:210;
Part of Protein;
none;
submit data
351.64 Fe4 S4 [S]12...
SO4 A:213;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
URA A:211;
A:212;
Valid;
Valid;
none;
none;
Ki = 88 nM
112.087 C4 H4 N2 O2 C1=CN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UI0 1.5 Å EC: 3.2.2.- CRYSTAL STRUCTURE OF URACIL-DNA GLYCOSYLASE FROM THERMUS THERMOPHILUS HB8 THERMUS THERMOPHILUS BASE EXCISION REPAIR URACIL-DNA GLYCOSYLASE IRON/SULFER CLUSTER THERMOPHILE RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI STRUCTURAL GENOMICS HYDROLASE
Ref.: CRYSTAL STRUCTURE OF A FAMILY 4 URACIL-DNA GLYCOSYLASE FROM THERMUS THERMOPHILUS HB8 J.MOL.BIOL. V. 333 515 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1UI0 Ki = 88 nM 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 5 families.
1 1UI0 Ki = 88 nM 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 : 1UI0; Ligand: URA; Similar sites found: 113
This union binding pocket(no: 1) in the query (biounit: 1ui0.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2X61 CH 0.01294 0.41825 None
2 2X61 NGA GAL SIA 0.03085 0.40586 None
3 4CO3 ATP 0.04616 0.40252 None
4 3B1F NAD 0.02112 0.40232 None
5 1WP4 NDP 0.03647 0.40192 None
6 1K3A ACP 0.01875 0.40365 0.97561
7 1H2B NAJ 0.03722 0.40164 1.95122
8 2JBH 5GP 0.004422 0.43095 2.43902
9 4CQM NAP 0.01658 0.43082 2.43902
10 1ETS MID 0.01131 0.42507 2.43902
11 4GKV NAD 0.01299 0.42414 2.43902
12 1QO8 FAD 0.01815 0.41995 2.43902
13 2XVD AS6 0.03559 0.41038 2.43902
14 3SVJ 4LI 0.008982 0.43239 2.46305
15 1UDH URA 0.00002089 0.53929 2.92683
16 3LZW FAD 0.00253 0.47909 2.92683
17 3LZW NAP 0.004567 0.47909 2.92683
18 1X7D ORN 0.01117 0.43231 2.92683
19 1X7D NAD 0.007901 0.43207 2.92683
20 4IP7 FBP 0.01115 0.40829 2.92683
21 3ZNN FAD 0.04563 0.40366 2.92683
22 3ZNN 4WL 0.04563 0.40366 2.92683
23 1BHX R56 0.01222 0.41866 3.40136
24 3B7G ANP 0.008643 0.42179 3.41463
25 2P3T 993 0.01366 0.41984 3.41463
26 1V35 NAI 0.02366 0.41668 3.41463
27 5UIU 8CG 0.03668 0.41411 3.41463
28 3GGO NAI 0.04236 0.41382 3.41463
29 3GGO ENO 0.04236 0.41382 3.41463
30 4DQ2 BTX 0.04102 0.41318 3.41463
31 1ON3 MCA 0.03747 0.40434 3.41463
32 3OZG SSI 0.02099 0.40109 3.41463
33 5X20 NAD 0.03065 0.40007 3.41463
34 2Q4V ACO 0.03503 0.40173 3.52941
35 5EW9 5VC 0.01448 0.47774 3.90244
36 4XJ7 ADE 0.002724 0.4365 3.90244
37 5LMK 6ZK 0.00778 0.43083 3.90244
38 1OJ7 NZQ 0.02262 0.41861 3.90244
39 2WQQ CSF 0.01749 0.41477 3.90244
40 1SZ2 BGC 0.008338 0.40847 3.90244
41 3EFS BTN 0.0116 0.40831 3.90244
42 1PS9 FMN 0.01515 0.40215 3.90244
43 2W5P CL8 0.005976 0.41803 4.02685
44 2OKL BB2 0.01605 0.41545 4.32432
45 4WS6 WBU 0.0000006046 0.56077 4.39024
46 2EUG URA 0.0002844 0.46363 4.39024
47 2E5V FAD 0.01503 0.43424 4.39024
48 5NTD BES 0.0143 0.41153 4.39024
49 4L3L 5FI 0.04082 0.41007 4.39024
50 1F06 NDP 0.03494 0.40741 4.39024
51 1F06 2NP 0.03494 0.40741 4.39024
52 2F5Z FAD 0.04818 0.40507 4.39024
53 1FIW PBZ 0.01438 0.40484 4.39024
54 3RJ5 NAD 0.03354 0.40188 4.39024
55 2B3D FAD 0.02913 0.41083 4.41176
56 4ZH7 FUC GAL NAG GAL FUC 0.009639 0.42024 4.87805
57 1VQW FAD 0.04241 0.40383 4.87805
58 1DJN ADP 0.02162 0.40125 4.87805
59 1UPA TPP 0.01259 0.42495 5.36585
60 4B2D FBP 0.007871 0.42226 5.36585
61 2Q46 NAP 0.01911 0.41436 5.85366
62 2ZB4 5OP 0.04307 0.40421 5.85366
63 2ZB4 NAP 0.04162 0.40421 5.85366
64 4OAR 2S0 0.02991 0.40169 5.85366
65 4O1M NAD 0.04485 0.40037 5.85366
66 4WNK 453 0.0243 0.4241 6.34146
67 2WEI VGG 0.02261 0.40158 6.34146
68 1NFU RRP 0.007733 0.42414 6.82927
69 2XVF FAD 0.03261 0.41847 6.82927
70 2VH6 GSV 0.02183 0.40454 6.82927
71 1RTF BEN 0.01309 0.40192 6.82927
72 5H9I XAN 0.0000001983 0.58222 7.31707
73 4YZC STU 0.04363 0.4083 7.31707
74 2XVE FAD 0.04719 0.40784 7.31707
75 1RHC F42 ACN 0.03643 0.40151 7.31707
76 1ZRH A3P 0.03064 0.40108 7.31707
77 4GJ3 0XP 0.03021 0.41554 7.80488
78 1D2N ANP 0.0199 0.40657 7.80488
79 3WGT QSC 0.02439 0.43202 8.29268
80 1DDG FAD 0.03647 0.40105 8.29268
81 2X7I CIT 0.0126 0.40089 8.29268
82 1OFD FMN 0.03114 0.40033 8.29268
83 1OFD AKG 0.02879 0.40033 8.29268
84 1LK7 DER 0.00393 0.42179 8.78049
85 1WOQ BGC 0.01424 0.40763 8.78049
86 4YGM URA 0.000000658 0.57916 9.26829
87 4LZB URA 0.000001495 0.57667 9.26829
88 1T3Q MCN 0.003108 0.4629 9.26829
89 1HXD BTN 0.004684 0.43389 9.26829
90 1PR9 NAP 0.01996 0.40756 9.26829
91 3D3W NAP 0.02237 0.4035 9.26829
92 5GK9 ACO 0.02276 0.41588 10
93 1ECC PCP 0.01125 0.42828 10.7317
94 4NST ADP 0.008978 0.42173 11.2195
95 5EFQ ADP 0.01591 0.40323 11.2195
96 4GUS FAD 0.04619 0.41143 11.2903
97 4HSU FAD 0.02824 0.40959 11.2903
98 1YBH P22 0.01031 0.40129 11.7073
99 5O4J 9KH 0.04944 0.40311 12.6829
100 5O4J SAH 0.04944 0.40311 12.6829
101 5O4J PJL 0.04898 0.40274 12.6829
102 4CTA ATP 0.009565 0.42251 13.1707
103 4C2W ANP 0.01743 0.40283 13.4615
104 1J0D 5PA 0.03024 0.40959 14.1463
105 3C3N FMN 0.04673 0.40091 15.122
106 1YY5 FAD 0.04322 0.40233 17.0732
107 1LTH NAD 0.007081 0.43658 19.0244
108 5UKL SIX 0.01709 0.42813 25.8065
109 2FES 3SP 0.00758 0.43445 44.4444
110 1O0D 163 0.00867 0.42901 44.4444
111 3VXE DPN PRO ARG 0.0122 0.42058 44.4444
112 1TMT DPN PRO ARG 0.01515 0.41222 44.4444
113 1NZQ 162 0.01912 0.40472 44.4444
Pocket No.: 2; Query (leader) PDB : 1UI0; Ligand: URA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1ui0.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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