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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 9 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 8 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 6 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 with APoc: 225
This union binding pocket(no: 1) in the query (biounit: 1ui0.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 2X61 CH None
2 1WP4 NDP None
3 2X61 NGA GAL SIA None
4 4CO3 ATP None
5 3B1F NAD None
6 2DM6 NAP 0.97561
7 4NW6 2NS 0.97561
8 1K3A ACP 0.97561
9 2Z7R STU 0.97561
10 1Z82 NDP 1.46341
11 1ZEM NAD 1.46341
12 5VKT NAP 1.95122
13 4ZLA BES 1.95122
14 1H2B NAJ 1.95122
15 2JBH 5GP 2.43902
16 1QO8 FAD 2.43902
17 5TTJ FAD 2.43902
18 1ETS MID 2.43902
19 4GKV NAD 2.43902
20 3HL4 CDC 2.43902
21 5GUE GGS 2.43902
22 4EOX 0S5 2.46305
23 5LU5 M7P 2.53807
24 1UDH URA 2.92683
25 3LZW FAD 2.92683
26 3LZW NAP 2.92683
27 1X7D ORN 2.92683
28 1X7D NAD 2.92683
29 5USZ SKE 2.92683
30 5OCM NAP 2.92683
31 5GWT NAD 2.92683
32 5GWT SIN 2.92683
33 1R37 NAD 2.92683
34 3AB1 FAD 2.92683
35 4IP7 FBP 2.92683
36 2J4K U5P 2.92683
37 3ZNN 4WL 2.92683
38 3ZNN FAD 2.92683
39 6AR9 3L4 2.92683
40 1WPY BTN 2.92683
41 1QL9 ZEN 2.92683
42 6CE2 SVR 3.30579
43 1BHX R56 3.40136
44 4Y93 746 3.41463
45 5GSN FAD 3.41463
46 5GSN NAP 3.41463
47 3B7G ANP 3.41463
48 1GZ6 NAI 3.41463
49 2P3T 993 3.41463
50 1V35 NAI 3.41463
51 1M5W DXP 3.41463
52 5UIU 8CG 3.41463
53 3GGO ENO 3.41463
54 3GGO NAI 3.41463
55 5J7X FAD 3.41463
56 5GSN MMZ 3.41463
57 5N0J FAD 3.41463
58 2G5C NAD 3.41463
59 1YQD NAP 3.41463
60 1ON3 MCA 3.41463
61 3ITJ FAD 3.41463
62 1NAA 6FA 3.41463
63 1NAA ABL 3.41463
64 1MV8 NAD 3.41463
65 4UOX PLP PUT 3.41463
66 3OZG SSI 3.41463
67 5X20 NAD 3.41463
68 2Q4V ACO 3.52941
69 5EW9 5VC 3.90244
70 5C03 AGS 3.90244
71 5UR1 YY9 3.90244
72 4XJ7 ADE 3.90244
73 5LMK 6ZK 3.90244
74 4DPL NAP 3.90244
75 1LH0 ORO 3.90244
76 1OJ7 NZQ 3.90244
77 2WQQ CSF 3.90244
78 4X7R UDP 3.90244
79 4X7R 3YW 3.90244
80 4X7R NTO 3.90244
81 1V59 FAD 3.90244
82 1SZ2 BGC 3.90244
83 3EFS BTN 3.90244
84 5L8L ADP 3.90244
85 4JDR FAD 3.90244
86 2FLI DX5 3.90244
87 1PS9 FMN 3.90244
88 2W5P CL8 4.02685
89 5F7Y GLC GAL NAG GAL FUC A2G 4.16667
90 5F7N NAG GAL FUC FUC A2G 4.16667
91 2OKL BB2 4.32432
92 4WS6 WBU 4.39024
93 2EUG URA 4.39024
94 6GU6 1QK 4.39024
95 2E5V FAD 4.39024
96 2I4I AMP 4.39024
97 5NTD BES 4.39024
98 4FN4 NAD 4.39024
99 4L3L 5FI 4.39024
100 2IXB NAD 4.39024
101 2IXB A2G 4.39024
102 1F06 2NP 4.39024
103 1F06 NDP 4.39024
104 2F5Z FAD 4.39024
105 1FIW PBZ 4.39024
106 3RJ5 NAD 4.39024
107 2B3D FAD 4.41176
108 5JPH COA 4.86111
109 5DEY 59T 4.87805
110 4ZH7 FUC GAL NAG GAL FUC 4.87805
111 5ZI2 NAD 4.87805
112 1O94 ADP 4.87805
113 5FAH 5VT 4.87805
114 1WPQ NAD 4.87805
115 1GEG NAD 4.87805
116 1VQW FAD 4.87805
117 4NBW NAD 4.87805
118 1DJN ADP 4.87805
119 2GVC FAD 4.87805
120 1LQY BB2 4.8913
121 1UPA TPP 5.36585
122 2IHT TPP 5.36585
123 2IHU TP9 5.36585
124 4B2D FBP 5.36585
125 1BZY IMU 5.36585
126 4MO2 FDA 5.36585
127 3B1J NAD 5.36585
128 4MO2 FAD 5.36585
129 5UIJ TYD 5.36585
130 4URF NAD 5.36585
131 3KJS NAP 5.85366
132 2Q46 NAP 5.85366
133 1SR7 MOF 5.85366
134 2ZB4 5OP 5.85366
135 2ZB4 NAP 5.85366
136 4OAR 2S0 5.85366
137 4O1M NAD 5.85366
138 5VJN IR8 5.88235
139 5VJN ADE 5.88235
140 5LYH 7B8 6.21762
141 4WNK 453 6.34146
142 1LLU NAD 6.34146
143 5NMX NAP 6.34146
144 2ZA5 2FF 6.34146
145 5NMX FAD 6.34146
146 2WEI VGG 6.34146
147 2OFW ADX 6.34146
148 6GAS FAD 6.82927
149 5TA6 79D 6.82927
150 1N62 FAD 6.82927
151 1NFU RRP 6.82927
152 4JZ8 CIT 6.82927
153 2XVF FAD 6.82927
154 4OM8 NAD 6.82927
155 2VH6 GSV 6.82927
156 1RTF BEN 6.82927
157 5H9I XAN 7.31707
158 3B0P FMN 7.31707
159 4I9B NAD 7.31707
160 4YZC STU 7.31707
161 2XVE FAD 7.31707
162 1RHC F42 ACN 7.31707
163 1ZRH A3P 7.31707
164 4GJ3 0XP 7.80488
165 2GMH FAD 7.80488
166 1D2N ANP 7.80488
167 4C3Y FAD 7.80488
168 3H8G BES 8.29268
169 1DDG FAD 8.29268
170 2X7I CIT 8.29268
171 1OFD FMN 8.29268
172 1OFD AKG 8.29268
173 5GLN XYS 8.78049
174 1LK7 DER 8.78049
175 5GLN XYP XYP XYP 8.78049
176 6B4K ANP 8.78049
177 1WOQ BGC 8.78049
178 4YGM URA 9.26829
179 4LZB URA 9.26829
180 1T3Q MCN 9.26829
181 1HXD BTN 9.26829
182 5WQP NAP 9.26829
183 5WQP NCA 9.26829
184 1PR9 NAP 9.26829
185 3D3W NAP 9.26829
186 1T57 FMN 9.70874
187 3QJ4 FAD 9.7561
188 5DOZ NDP 9.7561
189 6AA8 NAD 9.7561
190 5GK9 ACO 10
191 2CFC NAD 10.2439
192 1RO7 CSF 10.2439
193 5LHT TIH 10.7317
194 4NST ADP 11.2195
195 3EYA TDP 11.2195
196 5EFQ ADP 11.2195
197 4GUS FAD 11.2903
198 4HSU FAD 11.2903
199 1NNU NAD 11.6667
200 1NNU TCT 11.6667
201 1YBH P22 11.7073
202 5EJ2 NAD 12.1951
203 5O4J SAH 12.6829
204 5O4J 9KH 12.6829
205 5O4J PJL 12.6829
206 4CTA ATP 13.1707
207 4C2W ANP 13.4615
208 1J0D 5PA 14.1463
209 2B7D C1B 14.4737
210 3C3N FMN 15.122
211 2YI0 YI0 15.122
212 1JG3 ADN 16.0976
213 1YY5 FAD 17.0732
214 1LTH NAD 19.0244
215 5JF2 SF7 20.5882
216 5A04 NDP 22.9268
217 5A04 BGC 22.9268
218 5UKL SIX 25.8065
219 2A2X NA9 26.4706
220 1HYH NAD 26.8293
221 2FES 3SP 44.4444
222 1O0D 163 44.4444
223 3VXE DPN PRO ARG 44.4444
224 1TMT DPN PRO ARG 44.4444
225 1NZQ 162 44.4444
Pocket No.: 2; Query (leader) PDB : 1UI0; Ligand: URA; Similar sites found with APoc: 86
This union binding pocket(no: 2) in the query (biounit: 1ui0.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 6AYI C3G None
2 5IUC SIA GAL A2G None
3 1DTL BEP None
4 2C6Q NDP None
5 4NAT 2W5 None
6 4NAT ADP None
7 3D78 NBB None
8 4WG0 CHD None
9 3QWI NAP 2.43902
10 3QWI CUE 2.43902
11 6BA2 7KM 2.92683
12 2EI4 22B 2.92683
13 4DM8 REA 2.92683
14 2PWY SAH 2.92683
15 2QE0 NAP 2.92683
16 4GBM A3P 2.92683
17 3W54 RNB 2.92683
18 5DEX 5E0 3.41463
19 4CVZ TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 3.41463
20 2OZ5 7XY 3.41463
21 5ISY NAD 3.41463
22 1B7H LYS NLE LYS 3.41463
23 4HEE 14R 3.41463
24 3VCA PRO 3.41463
25 3QQA TCH 3.41463
26 6ESN BWE 3.41463
27 1EU1 MGD 3.41463
28 3KRO DST 3.90244
29 3KRO IPE 3.90244
30 5O22 C3R 3.90244
31 5K52 OCD 3.90244
32 3OU2 SAH 3.90244
33 1NQ7 ARL 3.90244
34 1GUZ NAD 3.90244
35 4RPL 3UC 4.39024
36 4RPL FAD 4.39024
37 2ZFN ACO 4.39024
38 5FUS DAO 4.39024
39 3CZ7 ACO 4.39024
40 2JKY 5GP 4.69484
41 3NTA COA 4.87805
42 2O4J VD4 4.87805
43 3NTD COA 4.87805
44 3NT6 COA 4.87805
45 2Z7I 742 4.87805
46 4LWP SAH 4.87805
47 6AYH C3G 4.97512
48 4QGE 35O 5.36585
49 1LQA NDP 5.36585
50 5GPG RAP 5.98291
51 4KBS PX2 6.34146
52 3EWC MCF 6.34146
53 2XDQ MGX 6.34146
54 5UQK U2F 6.34146
55 1VLH PNS 6.35838
56 4RPO T6C 6.82927
57 1EZ4 NAD 6.82927
58 1PZL MYR 6.82927
59 3LN0 52B 6.82927
60 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 6.82927
61 3FS1 MYR 6.82927
62 4OR7 25U 7.27273
63 3EE4 MYR 7.31707
64 3UBM COA 7.31707
65 4UHF BUA 7.31707
66 6F7L FAD 7.31707
67 4QOM PYG 7.80488
68 4PLT NAI 7.80488
69 3IWK NAD 7.80488
70 2JCB ADP 8.5
71 3HCN CHD 8.78049
72 5UWA 8ND 9.35961
73 2ZZV LAC 10.2439
74 5OJL TXP 10.7317
75 3W68 PBU 10.7317
76 4NKW PLO 11.2195
77 3VPH OXM 11.7073
78 5X80 SAL 11.875
79 4GBD MCF 13.1707
80 4XF6 INS 13.6585
81 4XF6 ADP 13.6585
82 4XF6 LIP 13.6585
83 2QMC GTB 13.8298
84 4MRT COA 14.1463
85 1JBW ACQ 19.0244
86 5ZCO PEK 21.4286
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