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 250 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 217 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 181 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 FAH 0.466667 0.642857
9 BXA 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: 148
This union binding pocket(no: 1) in the query (biounit: 1uuy.bio1) has 6 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2XBP ATP 0.003014 0.49069 None
2 3CL7 HYN 0.002652 0.469 None
3 1HFA PIO 0.0002502 0.46847 None
4 2D37 NAD 0.01149 0.44059 None
5 2D37 FMN 0.01082 0.44059 None
6 2V5E SCR 0.0008064 0.43199 None
7 1H8G CHT 0.004788 0.43087 None
8 1UWZ THU 0.009232 0.42887 None
9 3S9K CIT 0.007759 0.42082 None
10 3NBK PNS 0.02037 0.41054 None
11 3ZLM ANP 0.03634 0.40283 None
12 2DUA OXL 0.000035 0.55618 1.79641
13 1R37 NAD 0.007804 0.45681 1.79641
14 2BZ1 TAU 0.009097 0.41692 1.79641
15 1KHT AMP 0.02151 0.40181 1.79641
16 1NTV ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.01078 0.42193 1.97368
17 1IS3 LAT 0.008167 0.4098 2.22222
18 4DN8 BMA 0.0001119 0.43423 2.5641
19 4OK9 HIS 0.0004738 0.49725 2.68456
20 4TMK T5A 0.001481 0.54074 2.99401
21 3A8U PLP 0.0001615 0.53115 2.99401
22 3IHB TRS 0.001299 0.47077 2.99401
23 1RRC ADP 0.002791 0.46446 2.99401
24 1XHL NDP 0.01478 0.43982 2.99401
25 2FUE M1P 0.003106 0.4329 2.99401
26 4M7F BM3 0.00003712 0.42304 2.99401
27 3TKA CTN 0.0187 0.4118 2.99401
28 1GPJ CIT 0.0006907 0.40437 2.99401
29 1VLH PNS 0.02181 0.40377 2.99401
30 3LEO GSH 0.02193 0.41102 3.22581
31 4Q3F TLA 0.0002749 0.41682 3.4188
32 1B7H LYS NLE LYS 0.00007649 0.55479 3.59281
33 2FWP ICR 0.0003238 0.53126 3.59281
34 1ZFJ IMP 0.0121 0.4824 3.59281
35 3SUC ATP 0.003294 0.4812 3.59281
36 2FWP CIT 0.003128 0.47407 3.59281
37 1E7S NAP 0.01311 0.44259 3.59281
38 3MAG 3MA 0.004157 0.42391 3.59281
39 5DRN 5CT 0.00339 0.42346 3.59281
40 2FPU HSO 0.005705 0.41702 3.59281
41 2C4I BTN 0.0164 0.41649 3.59281
42 1QS0 TDP 0.02746 0.4107 3.59281
43 1P9P SAH 0.03259 0.41007 3.59281
44 1W55 GPP 0.0005354 0.48742 4.19162
45 1W55 C 0.007257 0.47112 4.19162
46 4GYW UDP 0.009215 0.45067 4.19162
47 1H9G COA MYR 0.007819 0.44788 4.19162
48 3B9Z CO2 0.0003021 0.42702 4.19162
49 1GAD NAD 0.01975 0.427 4.19162
50 3BEJ MUF 0.01357 0.41416 4.19162
51 2X0K PPV 0.0001373 0.402 4.19162
52 2O5L MNR 0.01422 0.4283 4.57516
53 2BLE 5GP 0.0005041 0.54333 4.79042
54 3GD8 BOG 0.00001088 0.50674 4.79042
55 3VPD BUA 0.001642 0.45855 4.79042
56 4HVK PMP 0.003544 0.43956 4.79042
57 1NF8 BOG 0.000701 0.42085 4.79042
58 3SVJ 4LI 0.00525 0.41894 4.79042
59 1U5V ATP 0.0003346 0.40855 4.79042
60 3CHT 4NB 0.00001957 0.51835 5.38922
61 4OYA 1VE 0.006263 0.50001 5.38922
62 4KX8 L2O VAL VAL ASP 0.0001582 0.43823 5.38922
63 1TDF FAD 0.04547 0.42637 5.38922
64 3G4G D71 0.002081 0.41111 5.38922
65 1RYI GOA 0.02348 0.4053 5.38922
66 1ID0 ANP 0.003818 0.43132 5.92105
67 1V5F FAD 0.0001735 0.60665 5.98802
68 1V5F TPP 0.0001735 0.60665 5.98802
69 4HGP KDO 0.007425 0.45908 5.98802
70 2FMD MAN MAN 0.003537 0.45561 5.98802
71 1YAG ATP 0.005265 0.45214 5.98802
72 4RHP PEF 0.00009641 0.45151 5.98802
73 4RNV HBA 0.009021 0.43139 5.98802
74 4RNV FMN 0.00877 0.431 5.98802
75 1MG1 MAL 0.01443 0.42819 5.98802
76 2J0W ASP 0.003589 0.42634 5.98802
77 3VHZ SOG 0.001448 0.42461 5.98802
78 3VHZ L2P GLC MAN SGA 0.001605 0.42461 5.98802
79 3FWN 6PG 0.003834 0.42446 5.98802
80 3FWN ATR 0.00722 0.42446 5.98802
81 2DKH FAD 0.04868 0.41331 5.98802
82 3FED BIX 0.03279 0.40333 5.98802
83 2QZT PLM 0.002165 0.48747 6.30631
84 1OMZ UD2 0.001645 0.50261 6.58683
85 1XX4 BAM 0.001541 0.4345 6.58683
86 3WCA FPS 0.0002282 0.4274 6.58683
87 1GP6 SIN 0.01018 0.42666 6.58683
88 1GP6 QUE 0.01069 0.42666 6.58683
89 3QDX CBS 0.005129 0.41916 6.99301
90 3QDW A2G 0.005062 0.41122 6.99301
91 2YD6 FLC 0.00001917 0.5846 7.18563
92 3FPZ AHZ 0.0007316 0.54546 7.18563
93 2H6B 3C4 0.009736 0.46875 7.18563
94 4DQ2 BTX 0.01539 0.43526 7.18563
95 2VDJ HSE 0.00344 0.40342 7.18563
96 1FDJ 2FP 0.02182 0.40617 7.78443
97 2AEB ABH 0.001057 0.50211 8.38323
98 2J8Z NAP 0.003176 0.47101 8.38323
99 1IYE PGU 0.008931 0.45017 8.38323
100 1R0X ATP 0.0415 0.41705 8.38323
101 2ZJ3 G6P 0.02943 0.40917 8.38323
102 1NXJ GLV 0.00003194 0.4068 8.38323
103 1G0V NAG 0.0001875 0.40196 8.38323
104 1OQC FAD 0.008351 0.42367 8.8
105 4N02 FNR 0.0002434 0.55566 8.98204
106 2FGQ MLT 0.00007768 0.44676 8.98204
107 1Q3Q ANP 0.0002528 0.55834 9.58084
108 3H86 AP5 0.0004797 0.53419 9.58084
109 3EE4 MYR 0.0001609 0.43439 9.58084
110 2YCJ C2F 0.0123 0.4206 9.58084
111 1HEX NAD 0.03272 0.41683 9.58084
112 1TO9 HMH 0.008062 0.41352 9.58084
113 1ULE GLA GAL NAG 0.001558 0.41669 10
114 2YVF NAD 0.02969 0.44556 10.1796
115 2YVF FAD 0.02896 0.44556 10.1796
116 4R33 SAH 0.01217 0.44544 10.1796
117 4R33 TRP 0.01217 0.44544 10.1796
118 3BLI ACO 0.0187 0.42244 10.1796
119 4RJK PYR 0.01841 0.40155 10.1796
120 1NME 159 0.000006057 0.40321 10.274
121 4G1V FAD 0.008218 0.44816 10.7784
122 3SJH LAR 0.006618 0.42986 10.7784
123 2Q97 ATP 0.01603 0.42586 10.7784
124 1FIQ FAD 0.02152 0.43339 11.3772
125 3K3G MMU 0.0000355 0.42467 11.3772
126 3SQP FAD 0.003412 0.4872 11.976
127 1Z44 NPO 0.009952 0.41497 12.5749
128 3UBW 6SP 0.03182 0.40012 12.5749
129 4LSJ LSJ 0.002007 0.46989 13.1737
130 3BQD DAY 0.0004599 0.42143 13.1737
131 3PAK MAN 0.0002765 0.50535 13.5135
132 3DAG FEG 0.0136 0.43403 13.7725
133 3OZG SSI 0.01774 0.41479 13.7725
134 1XXA ARG 0.01084 0.4339 15.3846
135 2QIA U20 0.0004672 0.5405 15.5689
136 2PAR TMP 0.001885 0.49891 15.5689
137 3VKX T3 0.001229 0.47965 15.5689
138 1RY2 AMP 0.00005636 0.55649 16.7665
139 1KPH 10A 0.001651 0.43039 16.7665
140 5YAS FAC 0.01858 0.40732 17.3653
141 4LO6 SIA GAL 0.0008226 0.42096 19.7605
142 2VAT COA 0.02501 0.40091 19.7605
143 1VPO TES 0.03407 0.41197 20.9581
144 3EYK EYK 0.0000649 0.44116 23.9521
145 2BGM MAX 0.000162 0.53108 27.5449
146 2BGM NAJ 0.002916 0.49933 27.5449
147 1JA9 PYQ 0.0004527 0.51498 32.3353
148 1JA9 NDP 0.02493 0.45338 32.3353
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