-->
Receptor
PDB id Resolution Class Description Source Keywords
2BKX 1.4 Å EC: 3.5.99.6 STRUCTURE AND KINETICS OF A MONOMERIC GLUCOSAMINE-6- PHOSPHATE DEAMINASE: MISSING LINK OF THE NAGB SUPERFAMILY BACILLUS SUBTILIS HYDROLASE SUBSTRATE INHIBITION FRUCTOSE-6-PHOSPHATE
Ref.: STRUCTURE AND KINETICS OF A MONOMERIC GLUCOSAMINE 6-PHOSPHATE DEAMINASE: MISSING LINK OF THE NAGB SUPERFAMILY? J.BIOL.CHEM. V. 280 19649 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
F6R A:1243;
B:1243;
Valid;
Valid;
none;
none;
submit data
260.136 C6 H13 O9 P C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BKX 1.4 Å EC: 3.5.99.6 STRUCTURE AND KINETICS OF A MONOMERIC GLUCOSAMINE-6- PHOSPHATE DEAMINASE: MISSING LINK OF THE NAGB SUPERFAMILY BACILLUS SUBTILIS HYDROLASE SUBSTRATE INHIBITION FRUCTOSE-6-PHOSPHATE
Ref.: STRUCTURE AND KINETICS OF A MONOMERIC GLUCOSAMINE 6-PHOSPHATE DEAMINASE: MISSING LINK OF THE NAGB SUPERFAMILY? J.BIOL.CHEM. V. 280 19649 2005
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2BKX - F6R C6 H13 O9 P C([C@H]([C....
2 2BKV - PGA C2 H5 O6 P C(C(=O)O)O....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2BKX - F6R C6 H13 O9 P C([C@H]([C....
2 2BKV - PGA C2 H5 O6 P C(C(=O)O)O....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2BKX - F6R C6 H13 O9 P C([C@H]([C....
2 2BKV - PGA C2 H5 O6 P C(C(=O)O)O....
3 1HOR - AGP C6 H16 N O8 P C([C@@H]([....
4 1FRZ - 16G C8 H16 N O9 P CC(=O)N[C@....
5 1FQO - F6R C6 H13 O9 P C([C@H]([C....
6 1HOT - 16G C8 H16 N O9 P CC(=O)N[C@....
7 1FS5 - TLA C4 H6 O6 [C@@H]([C@....
8 1NE7 - AGP C6 H16 N O8 P C([C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: F6R; Similar ligands found: 50
No: Ligand ECFP6 Tc MDL keys Tc
1 TG6 1 1
2 F6R 1 1
3 I22 0.74359 1
4 2FP 0.7 0.971429
5 P6F 0.7 0.971429
6 P6T 0.7 0.971429
7 5SP 0.641026 0.972222
8 PA5 0.641026 0.916667
9 R10 0.641026 0.916667
10 HMS 0.641026 0.972222
11 5RP 0.641026 0.972222
12 PAN 0.581395 0.6875
13 9C2 0.568182 0.673469
14 GOS 0.555556 0.942857
15 M2P 0.555556 0.942857
16 LG6 0.534884 0.916667
17 6PG 0.534884 0.916667
18 TAG 0.5 0.628571
19 KD0 0.5 0.916667
20 DX5 0.5 0.916667
21 LPK 0.5 0.628571
22 A5P 0.5 0.916667
23 PSJ 0.5 0.628571
24 LXP 0.5 0.916667
25 LX1 0.5 0.837838
26 SOL 0.5 0.628571
27 SDD 0.5 0.628571
28 FUD 0.5 0.628571
29 DER 0.487805 0.916667
30 DEZ 0.487805 0.916667
31 S6P 0.487805 0.942857
32 RUB 0.477273 0.916667
33 XBP 0.477273 0.916667
34 DXP 0.47619 0.837838
35 TX4 0.465116 0.645833
36 R5P 0.465116 0.942857
37 R52 0.465116 0.942857
38 DG6 0.465116 0.891892
39 HG3 0.459459 0.805556
40 52L 0.44898 0.702128
41 G6Q 0.444444 0.942857
42 M6R 0.444444 0.767442
43 RES 0.444444 0.6875
44 AGP 0.444444 0.767442
45 4TP 0.431818 0.767442
46 FQ8 0.425532 0.944444
47 LRY 0.423077 0.733333
48 H4P 0.42 0.790698
49 1NT 0.407407 0.916667
50 E4P 0.404762 0.885714
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2BKX; Ligand: F6R; Similar sites found with APoc: 281
This union binding pocket(no: 1) in the query (biounit: 2bkx.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 1FWV SGA MAG FUC None
2 2JCB ADP None
3 2J9C ATP None
4 3B9Q MLI 0.826446
5 3TWO NDP 0.826446
6 5KJW 53C 1.65289
7 2BUP ATP 1.65289
8 2BUP ADP 1.65289
9 3B1F NAD 1.65289
10 1F06 NDP 1.65289
11 3AB1 FAD 2.06612
12 6GAS FAD 2.06612
13 4D7E FAD 2.06612
14 1LLU NAD 2.06612
15 2GZ3 NAP 2.06612
16 1D1T NAD 2.06612
17 5EOW FAD 2.06612
18 3ORF NAD 2.06612
19 3ENV ABF 2.12766
20 3OVR 5SP 2.19298
21 2UVO NAG 2.33918
22 3WGT QSC 2.47934
23 3WGT FAD 2.47934
24 2Q7V FAD 2.47934
25 1NYT NAP 2.47934
26 5TA6 79D 2.47934
27 2BRY FAD 2.47934
28 3GNE FLC 2.47934
29 5VKT NAP 2.48619
30 3EFS BTN 2.57511
31 2W5P CL8 2.68456
32 3GD8 GOL 2.69058
33 1GPM AMP 2.89256
34 4ZCC NAI 2.89256
35 4ZCC FAD 2.89256
36 1I8T FAD 2.89256
37 4C3Y FAD 2.89256
38 1E1M FAD 2.89256
39 1E1M NAP 2.89256
40 3GD4 FAD 2.89256
41 3GD4 NAD 2.89256
42 1RYD NDP 2.89256
43 5YB7 FAD 2.89256
44 5YB7 ORN 2.89256
45 5H81 NAP 2.89256
46 1H6C NDP 2.89256
47 3AXB PRO 2.89256
48 3AXB FAD 2.89256
49 5JWC FAD 2.89256
50 2ZJ1 ARJ 2.89256
51 2ZJ1 NAD 2.89256
52 5XWV NDP 2.89256
53 5XWV 8H6 2.89256
54 3NJ4 NAD 2.89256
55 1YS4 NAP 2.89256
56 4JK3 NAD 2.89256
57 1O8B ABF 3.19635
58 5TCI MLI 3.30579
59 5MBX SP5 3.30579
60 5MBX FAD 3.30579
61 2WPF FAD 3.30579
62 3UOY FAD 3.30579
63 3UOY NAP 3.30579
64 3GF4 UPG 3.30579
65 2WPF WPF 3.30579
66 3GF4 FAD 3.30579
67 3T4L ZEA 3.30579
68 1PS9 FAD 3.30579
69 1RM4 NDP 3.30579
70 2IVD FAD 3.30579
71 4J4H 1J1 3.30579
72 4J4H NAI 3.30579
73 3ICS FAD 3.30579
74 3QWI NAP 3.30579
75 3QWI CUE 3.30579
76 2YAK OSV 3.30579
77 2J9D ADP 3.36134
78 2CUL FAD 3.44828
79 1Q9I TEO 3.71901
80 1Q9I FAD 3.71901
81 5G3U FDA 3.71901
82 1GPE FAD 3.71901
83 5G3U ITW 3.71901
84 4TXI FAD 3.71901
85 5BRT CH9 3.71901
86 5BRT FAD 3.71901
87 3HQP FDP 3.71901
88 5UAV TFB 3.71901
89 5UAV NDP 3.71901
90 2Q0L FAD 3.71901
91 2DXU BT5 3.82979
92 1WPY BTN 3.82979
93 1P0F NAP 4.02145
94 1M0S CIT 4.10959
95 2YG3 FAD 4.13223
96 5BVA FAD 4.13223
97 2F5Z FAD 4.13223
98 3RNM FAD 4.13223
99 5J5Z FAD 4.13223
100 5J7X FAD 4.13223
101 4W6Z 8ID 4.13223
102 2E5V FAD 4.13223
103 5FJN BE2 4.13223
104 5HXI 5HN 4.13223
105 5HXI FAD 4.13223
106 5F6U 5VK 4.4586
107 1ELI PYC 4.54545
108 2C1X UDP 4.54545
109 4M52 FAD 4.54545
110 5M67 3D1 4.54545
111 5M67 NAD 4.54545
112 3QVP FAD 4.54545
113 5GSN MMZ 4.54545
114 3HDY FDA 4.54545
115 1NPD NAD 4.54545
116 3HDY GDU 4.54545
117 5GSN NAP 4.54545
118 5A6N U7E 4.54545
119 1VI2 NAD 4.54545
120 4EA7 JB2 4.54545
121 4EA7 COA 4.54545
122 2DKH 3HB 4.54545
123 2DKH FAD 4.54545
124 3B8I OXL 4.54545
125 2VYN NAD 4.54545
126 5GSN FAD 4.54545
127 3ESS 18N 4.78261
128 4MIG G3F 4.95868
129 4JDR FAD 4.95868
130 3LXD FAD 4.95868
131 1REO FAD 4.95868
132 3CTY FAD 4.95868
133 3ZNN FAD 4.95868
134 3ZNN 4WL 4.95868
135 2C7G FAD 4.95868
136 2RAB FAD 4.95868
137 2C7G ODP 4.95868
138 1NVT NAP 4.95868
139 3WBF NAP 4.95868
140 5TTJ FAD 4.95868
141 2HK9 NAP 4.95868
142 3WBF API 4.95868
143 2GMH FAD 4.95868
144 2HK9 ATR 4.95868
145 5TUF FAD 4.95868
146 4XTX 590 4.95868
147 3NOJ PYR 5.04202
148 4REP FAD 5.25253
149 2OG2 MLI 5.3719
150 4IV9 FAD 5.3719
151 1C0I FAD 5.3719
152 1C0I BE2 5.3719
153 1ZVW PRP 5.3719
154 3HB5 NAP 5.3719
155 4NTD FAD 5.3719
156 6EK3 OUL 5.42986
157 6FA4 D1W 5.78035
158 4MOP 2H5 5.78512
159 1H82 GZZ 5.78512
160 1H82 FAD 5.78512
161 3FG2 FAD 5.78512
162 1KNR FAD 5.78512
163 1RP0 AHZ 5.78512
164 5W75 SUC 5.78512
165 1OVD ORO 5.78512
166 1OVD FMN 5.78512
167 3S5W FAD 5.78512
168 3K8D KDO 5.78512
169 3O9Z NAD 5.78512
170 3O9Z AKG 5.78512
171 5JCA FAD 5.78512
172 2C3H GLC GLC 6.12245
173 3ZEI AWH 6.12903
174 2B6N ALA PRO THR 6.19835
175 5TS5 FAD 6.19835
176 4XDA RIB 6.19835
177 5NA1 FAD 6.19835
178 1E6E FAD 6.25
179 5FI3 NAP 6.44258
180 5ODQ FAD 6.52174
181 1UJ5 5RP 6.60793
182 4CQM NAP 6.61157
183 1G51 AMP 6.61157
184 4UP4 NDG 6.61157
185 4UP4 NAG 6.61157
186 2J0W ASP 6.61157
187 1D4D FAD 7.02479
188 4YSX FAD 7.02479
189 5VN0 NAI 7.02479
190 3KDN CAP 7.02479
191 5YAP 8S0 7.02479
192 5YAP NAI 7.02479
193 2RKV ZBA 7.02479
194 4D79 ATP 7.02479
195 4USI ATP 7.14286
196 3QV1 NAD 7.31707
197 4RPL 3UC 7.43802
198 4RPL FAD 7.43802
199 2GAG FAD 7.43802
200 2GAG FOA 7.43802
201 2GAG NAD 7.43802
202 5JCM ISD 7.43802
203 5JCM NAD 7.43802
204 5JCM FAD 7.43802
205 5MQ6 NDP 7.43802
206 2IID PHE 7.43802
207 2IID FAD 7.43802
208 4IOK ADP 7.43802
209 1YKJ FAD 7.85124
210 5J60 FAD 7.85124
211 3X0V FAD 7.85124
212 6F7L FAD 7.85124
213 5K0A FAD 7.85124
214 1HXD BTN 7.85124
215 2AWN ADP 7.85124
216 3QXV MTX 7.93651
217 1ZK7 FAD 8.26446
218 3QJ4 FAD 8.26446
219 4GUT FAD 8.26446
220 4FWE FAD 8.26446
221 1P77 ATR 8.26446
222 4HSU FAD 8.26446
223 4GUS FAD 8.26446
224 4AT0 FAD 8.26446
225 1GTE FAD 8.26446
226 1LK7 DER 8.29694
227 6ER9 NAP 8.67769
228 5NM7 GLY 9.02256
229 4MO2 FAD 9.09091
230 4MO2 FDA 9.09091
231 3LZW NAP 9.09091
232 3LZW FAD 9.09091
233 3VC1 SAH 9.09091
234 3VC1 GST 9.09091
235 4NAE 1GP 9.33333
236 3AYI FAD 9.50413
237 3AYI HCI 9.50413
238 5WGR FAD 9.50413
239 3FPZ AHZ 9.91736
240 5KMS FAD 9.91736
241 4YCA NDP 9.91736
242 2YVJ FAD 10.0917
243 2YVJ NAI 10.0917
244 4Z24 FAD 10.3306
245 4YKG FAD 10.3306
246 1FL2 FAD 10.3306
247 3BXF 13P 10.7438
248 3BXF FBP 10.7438
249 2Z3Y F2N 10.7438
250 2HQM FAD 10.7438
251 4DQ2 BTX 10.7438
252 2JB2 PHE 10.7438
253 2JB2 FAD 10.7438
254 1Q1R FAD 11.157
255 6F97 FAD 11.157
256 1RSG FAD 11.157
257 1YY5 FAD 11.157
258 4HXY NDP 11.157
259 5EB4 FAD 11.157
260 5OC1 FAD 11.5702
261 4YNU FAD 11.5702
262 4YNU LGC 11.5702
263 5YU3 PRO 11.5702
264 5YU3 NAD 11.5702
265 2VVM FAD 12.3967
266 2VVL FAD 12.3967
267 5U8U FAD 13.2231
268 5HSA FAS 13.6364
269 4YRY FAD 14.0496
270 4L50 D8X 14.4628
271 5ZYN FAD 14.4628
272 1V8B NAD 14.4628
273 1BZL FAD 14.4628
274 1YQD NAP 14.7541
275 2CDC NAP 16.5289
276 2CDC XYP 16.5289
277 3AD8 FAD 19.1919
278 3AD8 PYC 19.1919
279 1V59 FAD 20.2479
280 3EB9 FLC 22.314
281 1VL1 CIT 39.2241
Pocket No.: 2; Query (leader) PDB : 2BKX; Ligand: F6R; Similar sites found with APoc: 18
This union binding pocket(no: 2) in the query (biounit: 2bkx.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 2AQJ TRP 2.06612
2 3TAO PGH 2.06612
3 6F5W KG1 2.47934
4 4BV6 FAD 2.89256
5 3NKS FAD 2.89256
6 2B4R NAD 2.89256
7 1XHC FAD 2.89256
8 3HGM ATP 3.40136
9 5I39 FAD 3.71901
10 4EMJ FAD 4.13223
11 1E6W NAD 4.54545
12 3HBF MYC 4.54545
13 1JA9 NDP 5.3719
14 3OID NDP 5.42636
15 5ZBC FAD 6.61157
16 1BZL GCG 14.4628
17 1NNU TCT 15
18 1NNU NAD 15
APoc FAQ
Feedback