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Receptor
PDB id Resolution Class Description Source Keywords
1JCM 2.1 Å EC: 4.1.1.48 TRPC STABILITY MUTANT CONTAINING AN ENGINEERED DISULPHIDE BR IN COMPLEX WITH A CDRP-RELATED SUBSTRATE ESCHERICHIA COLI BETA-ALPHA-BARREL DISULPHIDE BRIDGE STABILITY MUTANT LYAS
Ref.: STABILIZATION OF A (BETAALPHA)8-BARREL PROTEIN BY A ENGINEERED DISULFIDE BRIDGE. EUR.J.BIOCHEM. V. 269 1145 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
137 P:400;
Valid;
none;
submit data
351.246 C12 H18 N O9 P c1ccc...
PO4 P:701;
P:702;
P:703;
P:704;
P:705;
P:706;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1JCM 2.1 Å EC: 4.1.1.48 TRPC STABILITY MUTANT CONTAINING AN ENGINEERED DISULPHIDE BR IN COMPLEX WITH A CDRP-RELATED SUBSTRATE ESCHERICHIA COLI BETA-ALPHA-BARREL DISULPHIDE BRIDGE STABILITY MUTANT LYAS
Ref.: STABILIZATION OF A (BETAALPHA)8-BARREL PROTEIN BY A ENGINEERED DISULFIDE BRIDGE. EUR.J.BIOCHEM. V. 269 1145 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1JCM - 137 C12 H18 N O9 P c1ccc(c(c1....
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 1JCM - 137 C12 H18 N O9 P c1ccc(c(c1....
50% 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 1JCM - 137 C12 H18 N O9 P c1ccc(c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 137; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 137 1 1
2 0VR 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1JCM; Ligand: 137; Similar sites found with APoc: 196
This union binding pocket(no: 1) in the query (biounit: 1jcm.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 2Y88 2ER None
2 4AIA ADK None
3 1B09 PC None
4 1AL8 DHP None
5 1AL8 FMN None
6 2BOS GLA GAL GLC NBU None
7 5NDB 8TW None
8 2C29 DQH 0.772201
9 2C29 NAP 0.772201
10 3OVR 5SP 1.31579
11 3WQD PLP 999 1.5444
12 3IP6 PRO 1.5444
13 1GVF PGH 1.9305
14 5CDH TLA 1.9305
15 3CH6 NAP 1.9305
16 3CH6 311 1.9305
17 5XLA SIA 1.9305
18 2RJH DCS 1.9305
19 1QPR PHT 1.9305
20 3DSK T25 1.9305
21 5KBF CMP 1.9305
22 2BTM PGA 1.98413
23 5YRM BGC GLC 2.11268
24 3NB0 G6P 2.3166
25 5AB1 BCD TA5 HP6 MAN 2.3166
26 2VD9 IN5 2.3166
27 2VD9 EPC 2.3166
28 4I9A NCN 2.3166
29 5YJS SAL 2.7027
30 4D42 W0I 2.7027
31 4D42 NAP 2.7027
32 4XJ7 ADN 2.7027
33 3C3N FMN 2.7027
34 2HSA FMN 2.7027
35 2FJK 13P 2.7027
36 5BU2 AMP 2.7027
37 4BI7 PGA 2.72374
38 1QDS PGA 2.78884
39 1TRD PGH 2.8
40 2C6Q NDP 3.0888
41 2OEM 1AE 3.0888
42 1EWF PC1 3.0888
43 2C6Q IMP 3.0888
44 3UWV 2PG 3.0888
45 1XF1 CIT 3.0888
46 2QTR NXX 3.1746
47 1LYX PGA 3.22581
48 2YPI PGA 3.23887
49 6CWH 6LA 3.2967
50 4AVV GHE 3.43137
51 4AVV CD 3.43137
52 4AF0 IMP 3.4749
53 6HL7 CP 3.4749
54 4LUT DCS 3.4749
55 4NAE 1GP 3.55556
56 5EYW PGA 3.61446
57 3QH2 3NM 3.61991
58 1C1L GAL BGC 3.64964
59 1DL7 NCH 3.66972
60 4Z0G 5GP 3.861
61 3MI2 PFU 3.861
62 4HKP 16B 3.861
63 4HKP TKW 3.861
64 2QCD U5P 3.861
65 3W9Z FMN 3.861
66 4WOE 3S5 3.861
67 1KBI FMN 3.861
68 1KBI PYR 3.861
69 1KBJ FMN 3.861
70 5GVH FMN 3.861
71 2ZRU FMN 3.861
72 4MJ0 BGC SIA SIA GAL 3.861
73 5KJW 53C 3.861
74 1VL8 NAP 3.861
75 1PJS SAH 3.861
76 5H06 MAL 3.861
77 3EXS 5RP 4.0724
78 6BVE PGA 4.08163
79 5DQ8 FLF 4.16667
80 1DQX BMP 4.2471
81 2BLE 5GP 4.2471
82 2Z6J FMN 4.2471
83 6BKA FMN 4.2471
84 2Z6I FMN 4.2471
85 1QG6 TCL 4.2471
86 1QG6 NAD 4.2471
87 5G48 1FL 4.2471
88 4KRG OPE 4.2471
89 4UTW RFW 4.36681
90 3B0P FMN 4.6332
91 2GMH FAD 4.6332
92 3VKC FPQ 4.6332
93 4EWN 0VR 4.74308
94 1UNQ 4IP 4.8
95 5CSS G3P 4.86726
96 1CX9 NHP 5.01931
97 4TVD BGC 5.01931
98 5N9Z CAP 5.03597
99 5J5R 6G1 5.40541
100 5J5R IMP 5.40541
101 1PVN MZP 5.40541
102 2Q8Z NUP 5.40541
103 4IGH FMN 5.40541
104 4IGH ORO 5.40541
105 4IGH 1EA 5.40541
106 3MJY FMN 5.40541
107 3MJY IJZ 5.40541
108 1ZFJ IMP 5.40541
109 1GTE IUR 5.40541
110 1GTE FMN 5.40541
111 4YMZ 13P 5.57769
112 1QKQ MAN 5.6338
113 1X8D RNS 5.76923
114 5AHM IMP 5.79151
115 4Q4K FMN 5.79151
116 1OVD ORO 5.79151
117 5AHN IMP 5.79151
118 1OVD FMN 5.79151
119 2Q3O FMN 5.79151
120 5Z75 NAD 5.79151
121 5VM6 9EG 5.83942
122 1Q6O LG6 6.01852
123 2TPS TPS 6.1674
124 4Z87 5GP 6.17761
125 2BHZ MAL 6.17761
126 4D4U FUC GAL 6.17761
127 4WZH FMN 6.17761
128 4F06 PHB 6.17761
129 2HIM ASN 6.56371
130 2O7B HC4 6.56371
131 2F6U CIT 6.83761
132 1SW0 PGA 6.85484
133 3KDN CAP 6.94981
134 4UTU LRY 6.9869
135 1WDD CAP 7.03125
136 4V15 PLP 7.33591
137 2GJN FMN 7.33591
138 5K4W THR 7.72201
139 3TAO PGH 7.72201
140 5L2R MLA 7.72201
141 2RDT 2RD 7.72201
142 2RDT FMN 7.72201
143 5K4W NAI 7.72201
144 4TWL ASC 7.72358
145 1VC9 ATP 7.93651
146 2G50 PYR 8.10811
147 1HFE CYS 8.13008
148 6MFL OPV 8.49421
149 3BW2 FMN 8.49421
150 5D3X 4IP 8.98204
151 4JEJ 1GP 9.01639
152 4GLW 0XT 9.26641
153 3JQQ A2P 9.26641
154 1ME8 RVP 9.65251
155 2EV9 SKM 9.88593
156 1X1Z BMP 9.92064
157 2F9W PAU 10.0386
158 5I7S NAD 10.0386
159 5I7S E9P 10.0386
160 5WHU SIA GAL GLC 10.0671
161 2VGD XYP XYP 10.0917
162 5AIG VPR 10.4
163 6E2B PT7 10.5263
164 1LOR BMP 10.9649
165 1EIX BMQ 11.1969
166 3T4L ZEA 11.1969
167 5XFV FMN 11.583
168 2FFC U5P 12.7413
169 5TCI MLI 13.0435
170 1IR2 CAP 13.1274
171 1UZD CAP 13.1274
172 1UZH CAP 13.1274
173 4WA2 SIA GAL NAG 13.8996
174 1L5Y BEF 14.1935
175 1VKF CIT 14.3617
176 5A5W GUO 15.415
177 5ERG SAM 15.8301
178 2FLI DX5 15.9091
179 2FKA BEF 16.2791
180 4IXH IMP 16.6023
181 1OX5 1PR 17.3745
182 2VDH CAP 17.8571
183 2V6A CAP 17.8571
184 2V67 CAP 17.8571
185 2V68 CAP 17.8571
186 2V63 CAP 17.8571
187 1UPR 4IP 17.8862
188 1M5W DXP 18.5185
189 5ECP MET 18.5328
190 2C5A GDC 19.6911
191 2C5A NAD 19.6911
192 4JLS 3ZE 21.7105
193 1UUO FMN 24.3243
194 1UUO BRF 24.3243
195 1UUO ORO 24.3243
196 1RBL CAP 31.1927
Pocket No.: 2; Query (leader) PDB : 1JCM; Ligand: 137; 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: 1jcm.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1JCM; Ligand: 137; 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: 1jcm.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1JCM; Ligand: 137; Similar sites found with APoc: 6
This union binding pocket(no: 4) in the query (biounit: 1jcm.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1VJY 460 1.1583
2 4WOE ADP 3.861
3 4UDB CV7 4.6332
4 2YJD YJD 8.75
5 2HJ4 PNZ 9.62963
6 2NNQ T4B 21.374
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