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Receptor
PDB id Resolution Class Description Source Keywords
2BZ1 1.54 Å EC: 3.5.4.25 CRYSTAL STRUCTURE OF APO E. COLI GTP CYCLOHYDROLASE II ESCHERICHIA COLI RIBOFLAVIN BIOSYNTHESIS GTP CYCLOHYDROLASE II CATALYTIC ZINC HYDROLASE MAGNESIUM
Ref.: GTP CYCLOHYDROLASE II STRUCTURE AND MECHANISM. J.BIOL.CHEM. V. 280 36912 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:1178;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SO4 A:1175;
A:1176;
A:1177;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
TAU A:1179;
Valid;
none;
submit data
125.147 C2 H7 N O3 S C(CS(...
ZN A:1174;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BZ1 1.54 Å EC: 3.5.4.25 CRYSTAL STRUCTURE OF APO E. COLI GTP CYCLOHYDROLASE II ESCHERICHIA COLI RIBOFLAVIN BIOSYNTHESIS GTP CYCLOHYDROLASE II CATALYTIC ZINC HYDROLASE MAGNESIUM
Ref.: GTP CYCLOHYDROLASE II STRUCTURE AND MECHANISM. J.BIOL.CHEM. V. 280 36912 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2BZ1 - TAU C2 H7 N O3 S C(CS(=O)(=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2BZ1 - TAU C2 H7 N O3 S C(CS(=O)(=....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4RL4 - PPV H4 O7 P2 OP(=O)(O)O....
2 2BZ1 - TAU C2 H7 N O3 S C(CS(=O)(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TAU; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 TAU 1 1
2 A20 0.631579 0.883721
3 9SB 0.473684 0.697674
4 COM 0.473684 0.804878
5 OCS 0.4 0.770833
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2BZ1; Ligand: TAU; Similar sites found with APoc: 195
This union binding pocket(no: 1) in the query (biounit: 2bz1.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 5E1M PRO PRO LYS ARG ILE ALA None
2 5E1M SAH None
3 1O44 852 None
4 2DWU DGL None
5 3EWP APR None
6 1KEW NAD None
7 5GM1 SAH 1.02041
8 1R18 SAH 1.02041
9 1VL8 NAP 1.53061
10 1SAY PYR 1.66205
11 3VC1 GST 2.04082
12 3VC1 SAH 2.04082
13 4RQU NAD 2.04082
14 1ZGD NAP 2.04082
15 2HVW DDN 2.17391
16 3WB0 FEG 2.40964
17 5KOK SAH 2.55102
18 5KOK S9T 2.55102
19 6DUB SAH 2.55102
20 4OBW SAM 2.55102
21 1MV8 NAD 2.55102
22 3DMH SAM 2.55102
23 3DMH GMP 2.55102
24 5MPT SAH 2.55102
25 6GKV SAH 2.55102
26 1LAF ARG 2.55102
27 1HSL HIS 2.55102
28 3A25 SAM 2.55102
29 1R6D DAU 2.55102
30 1QGQ UDP 2.55102
31 6G1P CIT 2.55102
32 6ECT SAM 3.06122
33 2GZM DGL 3.06122
34 1O97 AMP 3.06122
35 1O97 FAD 3.06122
36 5N5D SAM 3.06122
37 5MB4 NAG 3.06122
38 2E7Z MGD 3.06122
39 5XL4 SIA 3.06122
40 3LCC SAH 3.06122
41 1YQD NAP 3.06122
42 1EKO NAP 3.57143
43 1EKO I84 3.57143
44 4J4H 1J1 3.57143
45 4J4H NAI 3.57143
46 1KPH SAH 3.57143
47 5VKT NAP 3.57143
48 1KOL NAD 3.57143
49 1D1T NAD 3.57143
50 4KRG SAH 3.57143
51 3W8X FAD 3.57143
52 3W8X FTK 3.57143
53 3ZV6 NAD 3.57143
54 3ZV6 4HB 3.57143
55 3JWH SAH 3.57143
56 4QOM PYG 3.57143
57 3ABI NAD 3.57143
58 5KL0 G16 3.57143
59 2FZW NAD 3.75335
60 2JFQ DGL 4.08163
61 2PQB GG9 4.08163
62 3LL5 IPE 4.08163
63 3LL5 ADP 4.08163
64 1X87 NAD 4.08163
65 1KPG SAH 4.08163
66 4GKV NAD 4.08163
67 1LDN NAD 4.08163
68 6ER9 FAD 4.08163
69 3LL5 ATP 4.08163
70 5XNC MTA 4.08163
71 5JE0 SAH 4.08163
72 5JE0 AZ8 4.08163
73 3IA4 NDP 4.32099
74 1EFV AMP 4.59184
75 1EFV FAD 4.59184
76 2IXB A2G 4.59184
77 2IXB NAD 4.59184
78 1DLJ NAI 4.59184
79 4EDF UPG 4.59184
80 2WSA MYA 4.59184
81 2WSA 646 4.59184
82 4POS NAG SIA GAL 4.59184
83 1U3U NAD 4.59184
84 1U3U BNF 4.59184
85 5ZW3 SAH 4.88889
86 4AZW SAM 5.10204
87 4PNE SAH 5.10204
88 2JFZ DGL 5.10204
89 4IJR NDP 5.10204
90 5A04 NDP 5.10204
91 2JFZ 003 5.10204
92 5A04 BGC 5.10204
93 1E3I CXF 5.10204
94 3GGO NAI 5.10204
95 1I52 CTP 5.10204
96 3GGO ENO 5.10204
97 5T67 SAH 5.10204
98 4XFR CIT 5.10204
99 2G5C NAD 5.10204
100 1N2X SAM 5.10204
101 2VHW NAI 5.61225
102 4KGD TDP 5.61225
103 4KGD FAD 5.61225
104 3FC4 EDO 5.61225
105 4NDO ATP 5.61225
106 5ZCM NDP DTT 5.61225
107 4FN4 NAD 5.61225
108 1Z3C SA8 5.61225
109 4CE5 PDG 5.61225
110 1UM0 FMN 5.61225
111 1LSS NAD 5.71429
112 1PJS NAD 6.12245
113 1BXG NAD 6.12245
114 1C1X NAD 6.12245
115 5ERG SAM 6.12245
116 1BW9 NAD 6.12245
117 4QED NAP 6.12245
118 1PL6 NAD 6.12245
119 1PL6 572 6.12245
120 2W9S NDP 6.21118
121 3POT TXZ 6.63265
122 3POT TP7 6.63265
123 3POT COM 6.63265
124 1RF6 S3P 6.63265
125 1RF6 GPJ 6.63265
126 1R27 MGD 6.63265
127 6F3M NAD 6.63265
128 1LBF 137 7.14286
129 1ZUW DGL 7.14286
130 1CDO NAD 7.14286
131 4KRI SAH 7.14286
132 4L2I FAD 7.14286
133 3L9W GSH 7.14286
134 1DL5 SAH 7.65306
135 1G60 SAM 7.65306
136 3EGI ADP 7.65306
137 1Y8Q ATP 7.65306
138 1L1E SAH 7.65306
139 5TOW NAI 7.65306
140 5TOW ADN 7.65306
141 1V5F FAD 7.65306
142 1V5F TPP 7.65306
143 3GDH SAH 7.65306
144 4ITU NAI 7.65306
145 2Q28 ADP 8.16327
146 2QGI UDP 8.16327
147 4FZV SAM 8.16327
148 3M6W SAM 8.67347
149 1YBH FAD 8.67347
150 1MUU NAD 8.67347
151 3T7S SAM 8.67347
152 1ZUA NAP 8.67347
153 1ZUA TOL 8.67347
154 5O4J 9KH 8.75912
155 5O4J PJL 8.75912
156 5O4J SAH 8.75912
157 4MN3 ACE PHE ALA TYR M3L SER NH2 8.92857
158 4YDD MD1 9.18367
159 4YDD MGD 9.18367
160 4RVG TYD 9.18367
161 4RVG SAM 9.18367
162 3VPH NAD 9.18367
163 3VPH OXM 9.18367
164 1CF2 NAP 9.18367
165 1GS5 NLG 9.68992
166 1GS5 ANP 9.68992
167 2C31 TZD 9.69388
168 2C31 ADP 9.69388
169 1OBB NAD 9.69388
170 4URF NAD 9.69388
171 3LL9 ADP 9.69388
172 5WP5 SAH 9.69388
173 1QAN SAH 10.2041
174 1OC2 NAD 10.7143
175 1OC2 TDX 10.7143
176 2FK8 SAM 10.7143
177 6ECW SAH 10.7143
178 3WG6 NDP 10.7143
179 6ECU SAH 11.2245
180 1NVT NAP 11.2245
181 4PIO SAH 11.2245
182 4PIO AVI 11.2245
183 1TPY SAH 11.2245
184 3FPF TNA 11.2245
185 3FPF MTA 11.2245
186 1LTH NAD 11.2245
187 1I1N SAH 11.7347
188 6F8N NAG NAG 11.7347
189 5W7M SAH 11.7347
190 3NDJ JHZ 12.7551
191 3NDJ SAH 12.7551
192 5FA8 SAM 13.6646
193 1V8B NAD 15.8163
194 4AMV F6R 16.8367
195 1ZQ9 SAM 22.9592
Pocket No.: 2; Query (leader) PDB : 2BZ1; Ligand: TAU; 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: 2bz1.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
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