-->
Receptor
PDB id Resolution Class Description Source Keywords
1ECM 2.2 Å EC: 7.-.-.- ATOMIC STRUCTURE OF THE BURIED CATALYTIC POCKET OF ESCHERICH CHORISMATE MUTASE ESCHERICHIA COLI P-PROTEIN CHORISMATE MUTASE DOMAIN CHORISMATE MUTASE
Ref.: ATOMIC-STRUCTURE OF THE BURIED CATALYTIC POCKET OF ESCHERICHIA-COLI CHORISMATE MUTASE. J.AM.CHEM.SOC. V. 117 3627 1995
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TSA A:500;
B:501;
Valid;
Valid;
none;
none;
Kd = 2.8 uM
228.199 C10 H12 O6 C1[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ECM 2.2 Å EC: 7.-.-.- ATOMIC STRUCTURE OF THE BURIED CATALYTIC POCKET OF ESCHERICH CHORISMATE MUTASE ESCHERICHIA COLI P-PROTEIN CHORISMATE MUTASE DOMAIN CHORISMATE MUTASE
Ref.: ATOMIC-STRUCTURE OF THE BURIED CATALYTIC POCKET OF ESCHERICHIA-COLI CHORISMATE MUTASE. J.AM.CHEM.SOC. V. 117 3627 1995
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 1ECM Kd = 2.8 uM TSA C10 H12 O6 C1[C@@H]2[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 1ECM Kd = 2.8 uM TSA C10 H12 O6 C1[C@@H]2[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 families.
1 1ECM Kd = 2.8 uM TSA C10 H12 O6 C1[C@@H]2[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TSA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 TSA 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1ECM; Ligand: TSA; Similar sites found with APoc: 190
This union binding pocket(no: 1) in the query (biounit: 1ecm.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 3RET SAL None
2 3RET PYR None
3 1UO5 PIH None
4 1UO4 PIH None
5 1NU4 MLA None
6 6CB2 OLC None
7 4F06 PHB None
8 3AQT RCO None
9 2Z6D FMN None
10 5DKK FMN None
11 5CSD ACD None
12 5CXI 5TW None
13 3D9F FAD None
14 3D9F N6C None
15 5IF4 6AK None
16 5C1M OLC None
17 2QES ADE None
18 1UHK CZN None
19 1UVC STE None
20 4WT2 3UD None
21 2VWA PTY None
22 5UGW GSH None
23 1DTL BEP None
24 2GJ3 FAD None
25 4URL XAM None
26 1HBK MYR None
27 2BHW NEX None
28 6GG9 FMN None
29 1MRH FMC None
30 3X01 AMP None
31 1J1R ADE None
32 4DOL PLM None
33 4O1Z MXM None
34 2HZL PYR None
35 5SVV FMN None
36 5UC9 MYR None
37 1ZEI CRS None
38 4K6B GLU None
39 4GGL CJC 0.930233
40 3W54 RNB 1.83486
41 2AX9 BHM 1.83486
42 3EWC MCF 2.75229
43 2BJ4 OHT 2.75229
44 5X80 SAL 2.75229
45 2QZO KN1 2.75229
46 1XZ3 ICF 2.75229
47 4MGA 27L 2.75229
48 5AAV GW5 2.75229
49 1TMO 2MD 2.75229
50 4MGB XDH 2.75229
51 2C9O ADP 2.75229
52 3GGO ENO 2.75229
53 3GGO NAI 2.75229
54 5DXE EST 2.75229
55 3UUD EST 2.75229
56 5WGQ EST 2.75229
57 5HYR EST 2.75229
58 1AJ8 CIT 2.75229
59 5WGD EST 2.75229
60 5UC1 486 2.75229
61 5FUS DAO 2.75229
62 5DX3 EST 2.75229
63 5LWY OLB 3.66972
64 3OU2 SAH 3.66972
65 4GU5 FAD 3.66972
66 1QNR MAB 3.66972
67 1KPH 10A 3.66972
68 3KC1 2T6 3.66972
69 4OAR 2S0 3.66972
70 4KWD JF2 3.66972
71 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 3.66972
72 5LX9 OLB 3.66972
73 4H07 IPH 4.58716
74 5TDF ADE 4.58716
75 4DJA FAD 4.58716
76 4DJA DLZ 4.58716
77 5G3N X28 4.58716
78 5DJT FMN 4.58716
79 5DJU FMN 4.58716
80 1XS1 DUT 4.58716
81 4QWT ACD 4.58716
82 4ZBR NPS 4.58716
83 6BYM HC3 4.58716
84 2V0U FMN 4.58716
85 5OWC AYZ 5.50459
86 4S15 4D8 5.50459
87 1N83 CLR 5.50459
88 3KP6 SAL 5.50459
89 1UOU CMU 5.50459
90 4D52 GIV 5.50459
91 1GJW GLC 5.50459
92 5LNQ CAA 5.50459
93 6MVU K4V 5.50459
94 5U97 PIT 5.50459
95 5N8V KZZ 5.7971
96 3KO0 TFP 5.94059
97 3EWK FAD 6.42202
98 6G5J EM8 6.42202
99 3O01 DXC 6.42202
100 2IMP LAC 6.42202
101 3T50 FMN 6.42202
102 1J78 OLA 6.42202
103 3QLM PLM 6.42202
104 4I6G FAD 6.42202
105 2Q2Y MKR 6.42202
106 2Q2Y ADP 6.42202
107 5L0U 660 6.42202
108 2H12 OAA 6.42202
109 2B96 ANN 7.33945
110 5N26 CPT 7.33945
111 1AWI PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO 7.33945
112 5X3R 7Y3 7.33945
113 4GCZ FMN 7.33945
114 1NWW HPN 7.33945
115 2E3N 6CM 7.33945
116 6A0S NDP 8.25688
117 4MRP GSH 8.25688
118 4WUJ FMN 8.25688
119 3PE2 E1B 9.17431
120 5LOF 70R 9.17431
121 3RUG DB6 9.17431
122 3KDU NKS 9.17431
123 1YKD CMP 9.17431
124 2UW1 GVM 9.17431
125 1EHI ADP 9.17431
126 3W5N RAM 10.0917
127 4LNU GDP 10.0917
128 5EYP GDP 10.0917
129 5EIB GTP 10.0917
130 5ITZ GDP 10.0917
131 4LNU GTP 10.0917
132 4CRL C1I 10.0917
133 5C9J DAO 10.101
134 2GBB CIT 11.0092
135 5Z1N PEF 11.0092
136 4UCC ZKW 11.0092
137 4UMJ BFQ 11.0092
138 1N4H REA 11.9266
139 1VLH PNS 11.9266
140 1YYE 196 11.9266
141 5Z84 PGV 11.9266
142 5Z84 CHD 11.9266
143 3RS8 APR 12.844
144 5LGA 6VH 12.844
145 5E7V M7E 12.844
146 4Q0A 4OA 12.844
147 2ZXG S23 12.844
148 3E7O 35F 13.7615
149 3VZ3 SSN 13.7615
150 5EK3 5PK 14.6789
151 5M36 9SZ 14.6789
152 3RYC GTP 14.6789
153 3WQQ IB3 14.6789
154 3WQQ NDP 14.6789
155 5M37 9SZ 14.6789
156 1T0S BML 15.5963
157 2O4J VD4 15.5963
158 5L7G 6QE 15.5963
159 4UDB CV7 15.5963
160 5MWY YNU 15.5963
161 3FS1 MYR 16.5138
162 1PZL MYR 16.5138
163 1DB1 VDX 16.5138
164 5UR6 8KM 16.5138
165 2R40 20E 16.5138
166 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 16.5138
167 4GAA BES 16.5138
168 1R6N 434 17.4312
169 5XPL 8C9 19.2661
170 2WKQ FMN 19.2661
171 4YWV SSN 20.1835
172 4LZJ 22H 21.1009
173 4XF6 ADP 23.8532
174 4XF6 INS 23.8532
175 4XF6 LIP 23.8532
176 6GBV FMN 23.8532
177 3OJI PYV 24.7706
178 5NTW 98N 25.6881
179 5NI5 8YB 25.6881
180 5IXK 6EW 25.6881
181 5X8Q 82R 25.6881
182 4LA7 A1O 25.6881
183 5APK 76E 25.6881
184 3T58 FAD 28.4404
185 5HCV 60R 30.2752
186 2A3I C0R 30.2752
187 3QQA TCH 33.945
188 2W1A TSA 35.5556
189 3GZ9 D32 38.5321
190 2FP2 TSA 39.4495
Pocket No.: 2; Query (leader) PDB : 1ECM; Ligand: TSA; 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: 1ecm.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1ECM; Ligand: TSA; Similar sites found with APoc: 45
This union binding pocket(no: 3) in the query (biounit: 1ecm.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5KAU RHQ None
2 4WN5 MVC None
3 1N9L FMN None
4 6AYI C3G None
5 3HQ9 OXL None
6 2PR5 FMN None
7 5VKI THR NGA GAL NAG None
8 4MJ0 SIA SIA 1.83486
9 2QA8 GEN 2.75229
10 5BYK OAQ 3.66972
11 5BYK A3P 3.66972
12 3R9V DXC 3.66972
13 6FS0 E4W 3.66972
14 5HCN DAO 4.58716
15 5EFW FMN 4.58716
16 4NAT 2W5 4.58716
17 1GSA ADP 5.50459
18 3KMZ EQO 5.50459
19 4XYB NDP 5.50459
20 2B4B B33 5.50459
21 5MZI FYK 6.42202
22 4PO2 ASN ARG LEU LEU LEU THR GLY 7.33945
23 3LCV SAM 8.25688
24 3TTZ 07N 9.17431
25 2RHQ GAX 9.17431
26 2Z77 NCA 11.0092
27 3OKI OKI 11.0092
28 5ZCO PGV 11.9266
29 5ZCO CHD 11.9266
30 3BXD INS 11.9266
31 6EDV COA 11.9266
32 2XGT NSS 11.9266
33 3HXU A5A 11.9266
34 2GAG NAD 12.844
35 2QJY SMA 13.7615
36 1NRL SRL 13.7615
37 5TUZ SAM 14.6789
38 5TUZ 7L6 14.6789
39 6FL8 TIY 15.5963
40 6FL8 ADP 15.5963
41 6C1S EFV 16.5138
42 4ZW3 4S9 16.5138
43 5WZU 7W3 18.3486
44 4DC2 ADE 20.1835
45 5FPN KYD 24.7706
Pocket No.: 4; Query (leader) PDB : 1ECM; Ligand: TSA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1ecm.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1ECM; Ligand: TSA; Similar sites found with APoc: 3
This union binding pocket(no: 5) in the query (biounit: 1ecm.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 3HX3 RET None
2 4F9C 0SX 6.42202
3 4ZJS 4P0 11.0092
Pocket No.: 6; Query (leader) PDB : 1ECM; Ligand: TSA; Similar sites found with APoc: 2
This union binding pocket(no: 6) in the query (biounit: 1ecm.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2ZSH GA3 5.50459
2 2X5W K2B 18.3486
APoc FAQ
Feedback