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Receptor
PDB id Resolution Class Description Source Keywords
1UUY 1.45 Å EC: 7.-.-.- STRUCTURE OF A MOLYBDOPTERIN-BOUND CNX1G DOMAIN LINKS MOLYBDENUM AND COPPER METABOLISM ARABIDOPSIS THALIANA CHELATASE MOLYBDENUM COFACTOR BIOSYNTHESIS
Ref.: STRUCTURE OF A MOLYBDOPTERIN-BOUND CNX1G DOMAIN LIN MOLYBDENUM AND COPPER METABOLISM NATURE V. 430 803 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CU1 A:1169;
Invalid;
none;
submit data
63.546 Cu [Cu+]
FMT A:1168;
Invalid;
none;
submit data
46.025 C H2 O2 C(=O)...
IMD A:1167;
Invalid;
none;
submit data
69.085 C3 H5 N2 c1c[n...
MTE AMP A:1164;
Valid;
none;
submit data n/a n/a n/a n/a
PPI A:1166;
Valid;
none;
submit data
74.079 C3 H6 O2 CCC(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UUY 1.45 Å EC: 7.-.-.- STRUCTURE OF A MOLYBDOPTERIN-BOUND CNX1G DOMAIN LINKS MOLYBDENUM AND COPPER METABOLISM ARABIDOPSIS THALIANA CHELATASE MOLYBDENUM COFACTOR BIOSYNTHESIS
Ref.: STRUCTURE OF A MOLYBDOPTERIN-BOUND CNX1G DOMAIN LIN MOLYBDENUM AND COPPER METABOLISM NATURE V. 430 803 2004
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 1UUY - MTE AMP n/a n/a
2 1UUX - MTE C10 H14 N5 O6 P S2 C([C@@H]1C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 1UUY - MTE AMP n/a n/a
2 1UUX - MTE C10 H14 N5 O6 P S2 C([C@@H]1C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 families.
1 1UUY - MTE AMP n/a n/a
2 1UUX - MTE C10 H14 N5 O6 P S2 C([C@@H]1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MTE AMP; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Ligand no: 2; Ligand: PPI; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 PPI 1 1
2 BUA 0.5625 0.785714
3 2KT 0.5625 0.625
4 SMB 0.5 0.642857
5 LEA 0.473684 0.647059
6 AAE 0.470588 0.625
7 R3W 0.466667 0.642857
8 BXA 0.466667 0.642857
9 FAH 0.466667 0.642857
10 ACY 0.461538 0.636364
11 IVA 0.444444 0.714286
12 39J 0.4 0.6
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1UUY; Ligand: PPI; Similar sites found with APoc: 226
This union binding pocket(no: 1) in the query (biounit: 1uuy.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
1 6EVN PRO PRO GLY PRO ALA GLY PRO PRO GLY None
2 5IXK 6EW None
3 2V5E SCR None
4 1T27 PCW None
5 1L6O SER LEU LYS LEU MET THR THR VAL None
6 6GL8 F3Q None
7 1JR8 FAD None
8 3SE5 ANP None
9 2FKW RG1 None
10 3NBK PNS None
11 5Z1N PEF None
12 2R7G PRO PRO THR LEU HIS GLU LEU TYR ASP LEU None
13 2VWA PTY None
14 5IXG OTP None
15 6CB2 OLC 1.79641
16 4RI1 ACO 1.79641
17 2YNE NHW 1.79641
18 2YNE YNE 1.79641
19 5B0W 22B 1.79641
20 2VBQ BSJ 1.81818
21 1NTV ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 1.97368
22 1WUB OTP 2.24719
23 5A8E XTK 2.39521
24 4DR9 BB2 2.39521
25 2ZCQ B65 2.39521
26 4ANP 3QI 2.99401
27 6H21 UD1 2.99401
28 3HCN CHD 2.99401
29 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 2.99401
30 3QMK SGN IDS SGN IDS 2.99401
31 5IJJ I6P 2.99401
32 4BE9 7P9 2.99401
33 5HH0 COA 2.99401
34 2X32 OTP 2.99401
35 5AZC PGT 2.99401
36 1VLH PNS 2.99401
37 5LX9 OLB 3.52113
38 1B7H LYS NLE LYS 3.59281
39 2PX6 DH9 3.59281
40 6MPT C30 3.59281
41 3V49 PK0 3.59281
42 2IZ1 ATR 3.59281
43 2IZ1 RES 3.59281
44 2AX9 BHM 3.59281
45 4YMU ARG 3.59281
46 6CHP F0Y 3.72671
47 2BVN ENX 4.19162
48 2XXP DSL 4.19162
49 2WSA 646 4.19162
50 2WSA MYA 4.19162
51 4ZW3 4S9 4.19162
52 5J6A P46 4.19162
53 2OKL BB2 4.19162
54 3TGE TGE 4.19162
55 3QKD HI0 4.19162
56 3BEJ MUF 4.19162
57 5W7U GY8 4.19162
58 3SCM LGN 4.19162
59 2O5L MNR 4.57516
60 3IIS PID 4.63576
61 3TJH SER PRO LEU ASP SER LEU TRP TRP ILE 4.79042
62 1EE0 CAA 4.79042
63 5AAV GW5 4.79042
64 3RY9 1CA 4.79042
65 5UWA 8ND 4.79042
66 3WYJ H78 4.79042
67 4XU6 TDA 4.79042
68 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 4.79042
69 5B4B LP5 4.79042
70 2EVL GAL SPH EIC 4.79042
71 3GN8 DEX 4.79042
72 3FON VAL ASN ASP ILE PHE GLU ALA ILE 4.79042
73 3G5K BB2 4.79042
74 5GUF CTP 4.94506
75 2Z23 LYS LYS LYS 5.38922
76 1ZT1 PHE GLU ALA ASN GLY ASN LEU ILE 5.38922
77 1LEK GLU GLN TYR LYS PHE TYR SER VAL 5.38922
78 5W8Q BU4 5.38922
79 2FV5 541 5.38922
80 1FO0 ILE ASN PHE ASP PHE ASN THR ILE 5.38922
81 4JE7 BB2 5.38922
82 4KX8 L2O VAL VAL ASP 5.38922
83 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 5.38922
84 5G57 6M5 5.38922
85 3CHT 4NB 5.38922
86 3G4G D71 5.38922
87 2Q8G AZX 5.38922
88 3G58 988 5.38922
89 2HJ3 FAD 5.6
90 4M0R 644 5.80475
91 1ID0 ANP 5.92105
92 1GNI OLA 5.98802
93 2GWH PCI 5.98802
94 4RHP PEF 5.98802
95 5AB0 2X0 7GA LYS HIS HIS ALA PHE SER PHE LYN 5.98802
96 1OUK 084 5.98802
97 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 5.98802
98 3VHZ SOG 5.98802
99 3FWN 6PG 5.98802
100 3FWN ATR 5.98802
101 4KBS PX2 5.98802
102 5FUS DAO 5.98802
103 1TV5 N8E 5.98802
104 3V66 D3A 5.98802
105 2QZT PLM 6.30631
106 6BJO DUY 6.4
107 4INW 1EY 6.42857
108 5BV6 35G 6.57895
109 4ZBR DIF 6.58683
110 4ZBR NPS 6.58683
111 4Q0A 4OA 6.58683
112 5V4R MGT 6.58683
113 5LOF 70R 6.58683
114 2ZKJ ADP 6.58683
115 3WCA FPS 6.58683
116 1GP6 QUE 6.58683
117 1GP6 DH2 6.58683
118 1GP6 SIN 6.58683
119 5L01 6Z4 6.58683
120 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 6.58683
121 4IVG ANP 6.58683
122 1PGP 6PG 6.58683
123 4IPE ANP 6.58683
124 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 7
125 1OGA GLY ILE LEU GLY PHE VAL PHE THR LEU 7
126 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 7
127 3KYO LYS LEU PRO ALA GLN PHE TYR ILE LEU 7
128 5JZI LYS LEU VAL ALA LEU GLY ILE ASN ALA VAL 7
129 3QFJ LEU LEU PHE GLY PHE PRO VAL TYR VAL 7
130 2X4T ASN LEU VAL PRW MET VAL ALA THR VAL 7
131 5WL1 D3D 7.07071
132 5WL1 CUY 7.07071
133 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 7.14286
134 5G5W R8C 7.18563
135 5J6D 6H5 7.18563
136 2A1L PCW 7.18563
137 3KRO IPE 7.18563
138 3KRO PPV 7.18563
139 4B7H NDP 7.18563
140 6BYM HC3 7.18563
141 5F5R ANP 7.18563
142 2FP2 TSA 7.22892
143 5NWI TYR PHE SER SEP ASN 7.78443
144 1KJM ALA GLN PHE SER ALA SER ALA SER ARG 8
145 1IYK MYA 8.38323
146 3G6N MET ALA SER 8.38323
147 4L1F COS 8.38323
148 1BWO LPC 8.88889
149 3I0O SMI 8.98204
150 5T70 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 8.98204
151 3RS8 ALA TRP LEU PHE GLU ALA 8.98204
152 6BJ3 ILE PRO LEU THR GLU GLU ALA GLU LEU 8.98204
153 1G27 BB1 8.98204
154 5Y80 IRE 9.45946
155 4OPC PGT 9.58084
156 6BR8 PGV 9.58084
157 5Y24 GLY MET PRO ARG GLY ALA 9.58084
158 5OLZ T4E 9.58084
159 3EE4 MYR 9.58084
160 4CA5 3EF 9.58084
161 3T6E MQ9 9.58084
162 1BII ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 10.084
163 2C9E DGD 10.1796
164 1T0S BML 10.1796
165 6B2M COA 10.1796
166 2DYR TGL 10.5882
167 2DYS TGL 10.5882
168 5ZCO TGL 10.5882
169 5Z84 TGL 10.5882
170 2DYS PEK 10.5882
171 2DYR PEK 10.5882
172 5ZCO PEK 10.5882
173 5Z84 PEK 10.5882
174 5Z84 PGV 10.5882
175 2DYR PGV 10.5882
176 5ZCO PGV 10.5882
177 2DYS PGV 10.5882
178 1P1M MET 10.7784
179 3SJH LAR 10.7784
180 4B1V ATP 10.7784
181 4B1V LAB 10.7784
182 2FXU ATP 10.7784
183 4H03 ATP 10.7784
184 4H03 LAR 10.7784
185 2J8C U10 10.7784
186 4B1X LAB 10.7784
187 5KHD C2E 10.989
188 6FK6 DOK 11.3772
189 3SQP FAD 11.976
190 4KIL 1R5 11.976
191 5DRB 5FJ 11.976
192 3SQP 3J8 11.976
193 5OVC ACE GLU ALA GLN THR ARG LEU 12.5
194 4OGQ 2WA 12.5
195 5F1R 42O 12.5749
196 3KXC PLM 12.5749
197 5EKO N17 12.5749
198 1FP1 HCC 12.5749
199 4V3I ASP LEU THR ARG PRO 13.1737
200 3BQD DAY 13.1737
201 3JUQ AKD 13.1737
202 3JUQ AJD 13.1737
203 5YEE LAB 13.2353
204 2IBZ UQ6 13.5135
205 6FQZ 6PG 13.7725
206 4C2X NHW 14.9701
207 1XXA ARG 15.3846
208 4IS0 1R4 15.5689
209 3W54 RNB 15.5689
210 3T03 3T0 16.7665
211 3FUR Z12 16.7665
212 1KPH 10A 16.7665
213 5UC9 MYR 16.7665
214 3ET3 ET1 16.7665
215 2HFP NSI 16.7665
216 1UVC STE 17.5824
217 1D6H COA 17.9641
218 2OBD PCW 18.5629
219 5IKH 6BW 19.1617
220 5VWK PRO ALA TRP ASP GLU THR ASN LEU 19.6721
221 2VAT COA 19.7605
222 5F74 AMP 20.3593
223 2E3N 6CM 21.5569
224 5OCA 9QZ 22.2222
225 1S9D AFB 24.3902
226 1RDT 570 26.087
Pocket No.: 2; Query (leader) PDB : 1UUY; Ligand: PPI; 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: 1uuy.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1UUY; Ligand: PPI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1uuy.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
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