Receptor
PDB id Resolution Class Description Source Keywords
1XPJ 2.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MCSG TARGET APC26283 FROM VIBRIO CHOLER VIBRIO CHOLERAE STRUCTURAL GENOMICS HYPOTHETICAL PROTEIN MCSG PROTEIN STRINITIATIVE PSI MIDWEST CENTER FOR STRUCTURAL GENOMICS UNFUNCTION
Ref.: CRYSTAL STRUCTURE OF MCSG TARGET APC26283 FROM VIBR CHOLERAE TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TLA A:303;
B:301;
C:302;
D:304;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
150.087 C4 H6 O6 [C@@H...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1XPJ 2.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MCSG TARGET APC26283 FROM VIBRIO CHOLER VIBRIO CHOLERAE STRUCTURAL GENOMICS HYPOTHETICAL PROTEIN MCSG PROTEIN STRINITIATIVE PSI MIDWEST CENTER FOR STRUCTURAL GENOMICS UNFUNCTION
Ref.: CRYSTAL STRUCTURE OF MCSG TARGET APC26283 FROM VIBR CHOLERAE TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 1XPJ - TLA C4 H6 O6 [C@@H]([C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 1XPJ - TLA C4 H6 O6 [C@@H]([C@....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 1XPJ - TLA C4 H6 O6 [C@@H]([C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TLA; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 SRT 1 1
2 TLA 1 1
3 TAR 1 1
4 RAT 0.588235 1
5 GAE 0.588235 1
6 LGT 0.588235 1
7 LAC 0.5 0.611111
8 2OP 0.5 0.611111
9 IPM 0.47619 0.8
10 LFC 0.434783 0.777778
11 ICT 0.416667 0.727273
12 DXX 0.411765 0.777778
13 MAK 0.4 0.941176
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1XPJ; Ligand: TLA; Similar sites found: 201
This union binding pocket(no: 1) in the query (biounit: 1xpj.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1XP8 AGS 0.01453 0.41835 None
2 2W9S NDP 0.04532 0.41704 None
3 2OFW ADX 0.02436 0.41647 None
4 5U1M ACE LEU TYR ALA SER SER ASN PRO ALA PTR 0.03017 0.41005 None
5 2PY4 DUP 0.02289 0.40941 None
6 1UJ5 5RP 0.01915 0.40763 None
7 1Z0A GDP 0.03531 0.40189 None
8 3BOS CDP 0.005134 0.45468 1.5873
9 3RG9 WRA 0.0175 0.41878 1.5873
10 3RG9 NDP 0.01573 0.41878 1.5873
11 1QF9 ADP 0.03234 0.40542 1.5873
12 1QF9 ALF 0.03234 0.40542 1.5873
13 1QF9 C5P 0.03234 0.40542 1.5873
14 1SAY PYR 0.00475 0.46394 2.38095
15 3QCQ 3Q0 0.03024 0.45139 2.38095
16 1JJV ATP 0.01279 0.42139 2.38095
17 4U82 FPS 0.02294 0.41635 2.38095
18 1RYH GNP 0.02421 0.40619 2.38095
19 1MH1 GNP 0.04766 0.40278 2.38095
20 4JWH SAH 0.0006782 0.5126 3.1746
21 1W78 PD8 0.00116 0.49587 3.1746
22 1W78 ADP 0.0006358 0.49363 3.1746
23 4J5R A1R 0.002822 0.47209 3.1746
24 1H9G COA MYR 0.006081 0.46796 3.1746
25 3ZL8 ADP 0.004531 0.4334 3.1746
26 1SC6 NAD 0.04728 0.42263 3.1746
27 5HR5 ADP 0.01466 0.42078 3.1746
28 2PX8 SAH 0.006655 0.41816 3.1746
29 3LKZ SFG 0.007973 0.41556 3.1746
30 4RD0 GDP 0.02506 0.41509 3.1746
31 2J5V PCA 0.004 0.40528 3.1746
32 2O4C NAD 0.03796 0.40154 3.1746
33 3SIG AR6 0.0005257 0.51897 3.96825
34 1Q19 SSC 0.0009898 0.45559 3.96825
35 3AD8 FAD 0.04844 0.42289 3.96825
36 3AD8 PYC 0.04844 0.42289 3.96825
37 1YKI NFZ 0.02625 0.42204 3.96825
38 1O5R FR9 0.01654 0.42118 3.96825
39 1MKY GDP 0.01496 0.41839 3.96825
40 4U5X GNP 0.02713 0.41364 3.96825
41 3SUD SUE 0.01664 0.40965 3.96825
42 3GBR PRP 0.02222 0.40578 3.96825
43 4U00 ADP 0.01958 0.40442 3.96825
44 1RZ1 FAD 0.04998 0.40322 3.96825
45 2EIX FAD 0.04473 0.40164 3.96825
46 4FRZ ADP 0.02757 0.40068 3.96825
47 5KSP GDP 0.0117 0.43499 4.21053
48 2ED4 FAD 0.001068 0.50123 4.7619
49 2BFR ADP 0.002308 0.47362 4.7619
50 3EC1 GDP 0.002567 0.46411 4.7619
51 4KFU ACP 0.003451 0.4571 4.7619
52 4C3Y ANB 0.01055 0.44939 4.7619
53 2BO4 FLC 0.0114 0.4486 4.7619
54 4UA3 COA 0.0101 0.43967 4.7619
55 4EN4 ATP 0.01622 0.43862 4.7619
56 4EN4 GT1 0.01622 0.43862 4.7619
57 4EN4 GT0 0.01622 0.43862 4.7619
58 1UJ2 ADP 0.01747 0.43197 4.7619
59 1UJ2 C5P 0.01759 0.4317 4.7619
60 4D42 W0I 0.03031 0.42897 4.7619
61 4D42 NAP 0.03031 0.42897 4.7619
62 3NC9 TR3 0.007851 0.4216 4.7619
63 5X40 ACP 0.0309 0.41673 4.7619
64 1ZUI SKM 0.01658 0.40888 4.7619
65 2FAV APR 0.02612 0.40623 4.7619
66 2WJH FLC 0.04012 0.40484 4.7619
67 2VCH UDP 0.03217 0.40473 4.7619
68 2WJH GDP 0.02576 0.40451 4.7619
69 3COB ADP 0.02339 0.4008 4.7619
70 2ZFZ ARG 0.02302 0.45301 5.06329
71 4XDA RIB 0.0007459 0.50066 5.55556
72 4XDA ADP 0.0007459 0.50066 5.55556
73 1PFK ADP 0.00007477 0.48959 5.55556
74 3ZJ0 ACO 0.004425 0.4749 5.55556
75 4C12 ADP 0.002999 0.47382 5.55556
76 5EOW FAD 0.006325 0.46111 5.55556
77 1REO FAD 0.009762 0.44499 5.55556
78 2Y65 ADP 0.007808 0.42805 5.55556
79 2KIN ADP 0.00795 0.42662 5.55556
80 5HPY GDP 0.01788 0.42364 5.55556
81 4R2I ANP 0.009362 0.42269 5.55556
82 1OW3 GDP 0.01844 0.42242 5.55556
83 2VHW NAI 0.01627 0.42026 5.55556
84 5IRC GDP 0.01787 0.41776 5.55556
85 2GCO GNP 0.02274 0.4172 5.55556
86 4OOP DUP 0.01456 0.41701 5.55556
87 1B8U OAA 0.02845 0.41658 5.55556
88 1M7G ADP 0.01526 0.41092 5.55556
89 1PUJ GNP 0.03835 0.4095 5.55556
90 4U0S ADP 0.0227 0.40675 5.55556
91 1M7G AV2 0.01811 0.40578 5.55556
92 2VZ0 D64 0.004964 0.51265 6.34921
93 2VZ0 NAP 0.004964 0.51265 6.34921
94 3FUR Z12 0.005074 0.48639 6.34921
95 2JG1 ANP 0.00358 0.46331 6.34921
96 1CR1 TTP 0.006759 0.45017 6.34921
97 2QEN ADP 0.008398 0.44224 6.34921
98 1KGZ PRP 0.002172 0.43506 6.34921
99 1NN5 ANP 0.01566 0.43219 6.34921
100 3ZNN FAD 0.02801 0.42996 6.34921
101 3ETG NDP 0.03255 0.42867 6.34921
102 3ETG GTP 0.02664 0.42862 6.34921
103 3ETG GLU 0.0338 0.42688 6.34921
104 2VF7 ADP 0.004797 0.4262 6.34921
105 3WXM GTP 0.0278 0.41654 6.34921
106 2E2P ADP 0.004667 0.41592 6.34921
107 3ZS7 ATP 0.02713 0.41065 6.34921
108 4ZGR NGA GAL 0.005039 0.41059 6.34921
109 4AG9 COA 0.02207 0.40883 6.34921
110 1D8T GDP 0.01593 0.41663 7.12468
111 2CWH NDP 0.003098 0.46894 7.14286
112 2CWH PYC 0.00374 0.46894 7.14286
113 4ZNL BEF ADP 0.002257 0.46764 7.14286
114 1Z4O GL1 0.01205 0.43954 7.14286
115 3OV6 MK0 0.018 0.43197 7.14286
116 4M4K GDU 0.0119 0.42914 7.14286
117 1BH2 GSP 0.03072 0.42833 7.14286
118 3ML1 MGD 0.02464 0.42615 7.14286
119 5L3S G 0.003404 0.42284 7.14286
120 1Y3A GDP 0.02736 0.41805 7.14286
121 4X9M FAD 0.01796 0.43701 7.93651
122 1U0J ADP 0.01709 0.42031 7.93651
123 5TB5 GDP 0.008908 0.4168 7.93651
124 2B4D COA 0.02838 0.41554 7.93651
125 1C3Q TZE 0.02882 0.41246 7.93651
126 5GJC ATP 0.0302 0.40097 7.93651
127 2HCJ GDP 0.04602 0.40262 8.35821
128 3G5N PB2 0.02491 0.46246 8.73016
129 5LIA 6XN 0.03644 0.44981 8.73016
130 1KUV CA5 0.03267 0.42585 8.73016
131 1BG2 ADP 0.007637 0.42567 8.73016
132 2FAH GDP 0.02076 0.41307 8.73016
133 5KSZ GCP 0.02065 0.41257 8.73016
134 5I0H ADP BEF 0.03824 0.4098 8.73016
135 5N69 ADP 0.03351 0.40739 8.73016
136 5TIV A3P 0.04694 0.40535 8.73016
137 3LOO B4P 0.0008893 0.48882 9.52381
138 4R3L COA 0.01916 0.4336 9.52381
139 1XTQ GDP 0.04242 0.42053 9.52381
140 2QTV GNP 0.04946 0.41694 9.52381
141 3HIW C2X 0.01586 0.41548 9.52381
142 3T5G GDP 0.03083 0.4144 9.52381
143 2VVG ADP 0.0132 0.4138 9.52381
144 4GO7 THR 0.01049 0.41198 9.52381
145 2W2X GSP 0.03353 0.40826 9.67742
146 5X1M THG 0.01127 0.45147 10.3175
147 5X1M DHB 0.01306 0.4426 10.3175
148 1XMV ADP 0.01392 0.42879 10.3175
149 1SVI GDP 0.01929 0.42478 10.3175
150 4JB1 NAP 0.03979 0.41584 10.3175
151 4JB1 FAD 0.04079 0.41584 10.3175
152 2QE4 JJ3 0.009117 0.48428 11.1111
153 2DT9 THR 0.001545 0.4717 11.1111
154 1M4I PAP 0.002865 0.47143 11.1111
155 1M4I KAN 0.002865 0.47143 11.1111
156 1M4I COA 0.002865 0.47143 11.1111
157 1V9N NDP 0.006788 0.4496 11.1111
158 4M0R 644 0.015 0.44062 11.1111
159 1H82 FAD 0.02292 0.43491 11.1111
160 1H82 GZZ 0.02446 0.43491 11.1111
161 1QHG ATP 0.01694 0.4323 11.1111
162 1GWN GTP 0.02205 0.42634 11.1111
163 1XX6 ADP 0.01739 0.41409 11.1111
164 3KDU NKS 0.004908 0.49194 11.9048
165 1JBW ACQ 0.01473 0.43404 11.9048
166 1JBW TMF 0.0176 0.43255 11.9048
167 2IXE ATP 0.03458 0.40964 11.9048
168 4K49 HFQ 0.02567 0.4028 11.9048
169 1OXV ANP 0.03038 0.40224 11.9048
170 2VAR ANP 0.001314 0.4845 12.6984
171 1Q3Q ANP 0.002025 0.48216 12.6984
172 1PS9 NAP 0.01025 0.44327 12.6984
173 4P3H 25G 0.03194 0.41125 12.6984
174 1W0J ADP 0.02604 0.40836 12.6984
175 1W0J ADP BEF 0.02456 0.40374 12.6984
176 3Q2K HP7 0.01539 0.40369 12.6984
177 1CXZ GSP 0.03443 0.40615 12.7907
178 1BZL FAD 0.00922 0.4396 13.4921
179 1T5C ADP 0.008036 0.4225 13.4921
180 2HCR AMP 0.007091 0.42052 14.2857
181 3HQP FDP 0.02375 0.40854 14.2857
182 3N39 FMN 0.04684 0.40711 14.2857
183 1IT7 GUN 0.01026 0.40239 14.2857
184 1V47 ADX 0.01222 0.43418 15.0794
185 2A5F GTP 0.03067 0.41166 15.0794
186 3AB3 GDP 0.02943 0.41071 15.0794
187 2XMY CDK 0.03828 0.42464 15.873
188 4LAE 1VM 0.01502 0.45137 18.254
189 4LAE NAP 0.01502 0.45137 18.254
190 1FIQ FAD 0.009437 0.44074 18.254
191 1FIQ MTE 0.01278 0.41742 18.254
192 1FIQ SAL 0.01393 0.41742 18.254
193 5DM1 5D7 0.01138 0.41136 18.254
194 1LVG ADP 0.02508 0.4036 19.0476
195 2DYR PGV 0.04207 0.4187 19.1489
196 1RE0 GDP 0.01006 0.42863 19.8413
197 4U9W COA 0.013 0.46325 22.2222
198 5HES 032 0.007561 0.44218 24.6032
199 1RYI FAD 0.01223 0.43561 25.3968
200 5BV6 35G 0.01708 0.41642 27.7778
201 3H4S ADP 0.0218 0.40414 27.7778
Pocket No.: 2; Query (leader) PDB : 1XPJ; Ligand: TLA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1xpj.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1XPJ; Ligand: TLA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1xpj.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1XPJ; Ligand: TLA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1xpj.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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