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Receptor
PDB id Resolution Class Description Source Keywords
2VWT 1.93 Å EC: 4.1.2.20 CRYSTAL STRUCTURE OF YFAU, A METAL ION DEPENDENT CLASS II ALDOLASE FROM ESCHERICHIA COLI K12 - MG-PYRUVATE PRODUCT C OMPLEX ESCHERICHIA COLI LYASE (BETA/ALPHA)8 BARREL 2-KETO-3-DEOXY SUGAR ALDOLASE ESCHERICHIA COLI K-12 PROTEIN YFAU DEGRADATION OF HOMOPROTOCATECHUATE PYRUVATE CLASS II ALDOLASE
Ref.: CRYSTAL STRUCTURE AND FUNCTIONAL ASSIGNMENT OF YFAU METAL ION DEPENDENT CLASS II ALDOLASE FROM ESCHERIC K12. BIOCHEMISTRY V. 47 9955 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL C:1258;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MG A:301;
B:301;
C:301;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
PO4 A:1257;
B:1257;
C:1257;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
94.971 O4 P [O-]P...
PYR A:302;
B:302;
C:302;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
88.062 C3 H4 O3 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2VWT 1.93 Å EC: 4.1.2.20 CRYSTAL STRUCTURE OF YFAU, A METAL ION DEPENDENT CLASS II ALDOLASE FROM ESCHERICHIA COLI K12 - MG-PYRUVATE PRODUCT C OMPLEX ESCHERICHIA COLI LYASE (BETA/ALPHA)8 BARREL 2-KETO-3-DEOXY SUGAR ALDOLASE ESCHERICHIA COLI K-12 PROTEIN YFAU DEGRADATION OF HOMOPROTOCATECHUATE PYRUVATE CLASS II ALDOLASE
Ref.: CRYSTAL STRUCTURE AND FUNCTIONAL ASSIGNMENT OF YFAU METAL ION DEPENDENT CLASS II ALDOLASE FROM ESCHERIC K12. BIOCHEMISTRY V. 47 9955 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2VWT - PYR C3 H4 O3 CC(=O)C(=O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2VWT - PYR C3 H4 O3 CC(=O)C(=O....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2V5K - OXM C2 H3 N O3 C(=O)(C(=O....
2 2VWT - PYR C3 H4 O3 CC(=O)C(=O....
3 4B5V - PYR C3 H4 O3 CC(=O)C(=O....
4 4B5T - 2KT C4 H6 O3 CCC(=O)C(=....
5 4B5W Kd = 26.9 mM PYR C3 H4 O3 CC(=O)C(=O....
6 4B5S - PYR C3 H4 O3 CC(=O)C(=O....
7 4B5U - PYR C3 H4 O3 CC(=O)C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PYR; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 PYR 1 1
2 ACY 0.636364 0.636364
3 OXD 0.545455 0.642857
4 F50 0.428571 0.6
5 2KT 0.411765 0.733333
6 AAE 0.411765 0.625
7 KIV 0.411765 0.785714
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2VWT; Ligand: PYR; Similar sites found with APoc: 297
This union binding pocket(no: 1) in the query (biounit: 2vwt.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 1C9K 5GP None
2 2VOH CIT None
3 3RWO GDP None
4 1ZUI SKM None
5 3GM5 CIT None
6 1J99 AND 0.749064
7 1BH2 GSP 0.749064
8 1Y3A GDP 0.749064
9 2EXX NAP 1.1236
10 2Y65 ADP 1.1236
11 5CMK GLU 1.1583
12 3FV1 DYH 1.17188
13 3T34 GDP 1.49813
14 1C7O PPG 1.87266
15 3H5N ATP 1.87266
16 4UTG ANP 1.87266
17 3SMA ACO 1.87266
18 4P53 NAI 1.87266
19 2R5N TPP 1.87266
20 2R5N RP5 1.87266
21 2R5N R5P 1.87266
22 3TK1 GDP 1.87266
23 4OHY ANP 1.87266
24 2RC5 FAD 1.87266
25 5LW0 AR6 2.1645
26 3ITJ FAD 2.24719
27 3T03 3T0 2.24719
28 4ITM ATP 2.24719
29 4D42 NAP 2.24719
30 4D42 W0I 2.24719
31 1GQY ACP 2.24719
32 1P3D ANP 2.24719
33 2E0P CTT 2.24719
34 1GSA GSH 2.24719
35 2Q8Z NUP 2.24719
36 2NCD ADP 2.24719
37 1TLL FAD 2.24719
38 4QOS ADP 2.26415
39 3A8T ATP 2.35988
40 3RG9 WRA 2.5
41 3AWJ COA 2.62172
42 2D3M COA 2.62172
43 4EIP FAD 2.62172
44 1WD4 AHR 2.62172
45 2QCS ANP 2.62172
46 2A2C NG1 2.62172
47 2A2C ADP 2.62172
48 1RZM PEP 2.62172
49 5K5Z ANP 2.62172
50 1FDJ 13P 2.62172
51 3TKA SAM 2.62172
52 2WN6 NDP 2.62172
53 4QAC KK3 2.76498
54 2AQJ TRP 2.99625
55 2AQJ FAD 2.99625
56 2XVF FAD 2.99625
57 4FWE FAD 2.99625
58 4GUT FAD 2.99625
59 2XVE FAD 2.99625
60 6FAA ADP 2.99625
61 3QVV 3QV 2.99625
62 5YVT NAI 2.99625
63 5TPR NAD 2.99625
64 1VKJ A3P 2.99625
65 3S5W FAD 2.99625
66 6GNC FAD 2.99625
67 1BG2 ADP 2.99625
68 1OKE BOG 2.99625
69 1ZCB GDP 2.99625
70 1EWY FAD 3.06122
71 2CNT COA 3.125
72 2XZ9 PYR 3.37079
73 3HQP OXL 3.37079
74 2ABS ACP 3.37079
75 3WUG XYP 3.37079
76 1P9B GDP 3.37079
77 5EE5 GTP 3.50877
78 5E5U MLI 3.51759
79 2WCV FUC 3.57143
80 4WJT NAG 3.59281
81 1R4A GNP 3.63636
82 3AB3 GDP 3.65854
83 5W8Q BU4 3.74532
84 1JGT CMA 3.74532
85 1JGT APC 3.74532
86 1IWE IMP 3.74532
87 5I0H ADP BEF 3.74532
88 2CWH PYC 3.74532
89 4GBM A3P 3.74532
90 5IRR GSP 3.74532
91 1TPY SAH 3.74532
92 5H68 AGS 3.74532
93 2VVG ADP 3.74532
94 5XNC N4P 3.74532
95 3UZO GLU 3.74532
96 5NM7 GLY 3.7594
97 3NOJ PYR 3.78151
98 2Z6D FMN 3.84615
99 3PG7 PTY 3.90625
100 4YLG GDP 4.04624
101 1M5W DXP 4.11523
102 5WRJ A3P 4.11985
103 5WRI A3P 4.11985
104 3CQD ATP 4.11985
105 1G3M PCQ 4.11985
106 1G3M A3P 4.11985
107 1AQU A3P 4.11985
108 5I60 67W 4.11985
109 4UP3 FAD 4.11985
110 3ZOK NAD 4.11985
111 4OJ8 2TQ 4.11985
112 1KK8 BEF ADP 4.11985
113 4S28 AIR 4.11985
114 4S28 SAH 4.11985
115 3P0F BAU 4.11985
116 3WLE NAD 4.11985
117 5I34 GDP 4.11985
118 4O4F IHP 4.43548
119 4O4F ATP 4.43548
120 6C6O ENG 4.49438
121 4XF6 INS 4.49438
122 4XF6 LIP 4.49438
123 4XF6 ADP 4.49438
124 5X8G S0N 4.49438
125 4WBD CIT 4.49438
126 3E5A VX6 4.49438
127 5GXU FAD 4.49438
128 5GWT NAD 4.49438
129 5EYG NAP 4.5283
130 3FHI ANP 4.54545
131 2DX7 CIT 4.82456
132 4W93 3L9 4.86891
133 1QHG ATP 4.86891
134 2Q3M MLA 4.86891
135 1WOQ BGC 4.86891
136 2B3D FAD 4.90196
137 3P7N FMN 5.03876
138 1YOK P6L 5.07812
139 1P7T PYR 5.24345
140 1EE0 CAA 5.24345
141 1PIG AGL GLC HMC AGL GLC BGC 5.24345
142 5LB3 ADP 5.24345
143 5W3K NDP 5.24345
144 5W3K 9TY 5.24345
145 4IEE AGS 5.24345
146 1WP4 NDP 5.24345
147 3FRK TQP 5.24345
148 5MQ5 ASP 5.24345
149 4LYA ATP 5.24345
150 1ZDU P3A 5.30612
151 3UWV 2PG 5.36398
152 1G63 FMN 5.52486
153 1UJ2 ADP 5.55556
154 1GQG DCD 5.61798
155 1W78 ADP 5.61798
156 4Z0H NAD 5.61798
157 5TSH ANP 5.61798
158 1KPG SAH 5.61798
159 1KPH SAH 5.61798
160 4MXP DB4 5.61798
161 5H7J GCP 5.61798
162 1D2E GDP 5.61798
163 5O4J PJL 5.61798
164 5O4J SAH 5.61798
165 4X17 SIA 5.99251
166 4X17 SIA SIA 5.99251
167 1DQS NAD 5.99251
168 2ZFI ADP 5.99251
169 6C4A PYR 5.99251
170 6BK3 UDP 6.20985
171 4ZI2 GNP 6.31579
172 4GOJ GNP 6.34921
173 2G50 PYR 6.36704
174 5WX3 COA 6.36704
175 5MEX SZZ 6.36704
176 5MEX PAP 6.36704
177 3PCR GTP 6.36704
178 5IQT 6CU 6.36704
179 5IQT AKG 6.36704
180 2QG6 NMN 6.53266
181 5N69 ADP 6.53266
182 4M9Q GNP 6.60793
183 1D6H COA 6.74157
184 1YRO GDU 6.74157
185 2E5V FAD 6.74157
186 6H5E ANP 6.74157
187 1G6O ADP 6.74157
188 3BD9 A3P 6.74157
189 4NTO 1PW 6.76329
190 2BKA NDP 7.02479
191 3Q85 GNP 7.10059
192 3V1Y NAD 7.11611
193 3EYA TDP 7.11611
194 6HKE MLT 7.11611
195 3W9K MYR 7.19424
196 3W6G FLC 7.40741
197 1JBW ACQ 7.49064
198 1VBH PEP 7.49064
199 2GWH A3P 7.49064
200 1JBW TMF 7.49064
201 3CPJ GDP 7.49064
202 4TXJ THM 7.49064
203 4TSK NDP 7.49064
204 1MEX RAC 7.51174
205 2PA4 UPG 7.86517
206 3T6E MQ9 7.86517
207 1R6D NAD 7.86517
208 2PI8 NAG NAG NAG NAG NAG NAG 7.86517
209 1GOT GDP 7.86517
210 4EWH T77 7.86517
211 3T6E UQ9 7.86517
212 5Y8L NAD 7.86517
213 3COB ADP 7.86517
214 1FAO 4IP 7.93651
215 3AJ4 SEP 8.03571
216 2OQ2 A3P 8.04598
217 4XDA ADP 8.2397
218 5W3X ACO 8.2397
219 6A1G 9OL 8.2397
220 5G3Y ADP 8.40708
221 6CRK GDP 8.4507
222 1KC7 PPR 8.61423
223 5T9F TYR 8.61423
224 5T9F NAP 8.61423
225 6GNA FAD 8.61423
226 1OYY AGS 8.61423
227 4E1Z 0MX 8.61423
228 2VB6 ADP BEF 8.72483
229 3I59 N6S 8.83534
230 5WS9 ATP 8.98876
231 5WS9 OXL 8.98876
232 4YRY NAD 8.98876
233 1FQK GDP 8.98876
234 4DQL NAP 8.98876
235 4PVV HO4 8.98876
236 5J6D 6H5 8.98876
237 4PFO ADP 8.98876
238 4DQL FAD 8.98876
239 5KUT GDP 8.99471
240 2F9L GDP 9.04523
241 1KSH GDP 9.13978
242 5YGE ACO 9.1954
243 2BEK ATP 9.33852
244 1D8C GLV 9.3633
245 1Z6K OAA 9.3633
246 3WR7 COA 9.41177
247 1OIX GDP 9.42408
248 4R2M ANP 9.49367
249 1U8Z GDP 9.52381
250 5BRE 4UZ 9.73783
251 1JAY F42 9.90566
252 1QF5 RPL 10.1124
253 1QF5 GDP 10.1124
254 2Z5F A3P 10.1124
255 3T50 FMN 10.1562
256 5EYK 5U5 10.1695
257 2ZE7 DST 10.2767
258 2ZE7 AMP 10.2767
259 1RKD ADP 10.356
260 1RKD RIB 10.356
261 4C4P GNP 10.4046
262 2HV8 GTP 10.4651
263 6CLV 6MB 10.4869
264 4IMG NGF 10.4869
265 2H29 DND 10.582
266 2ZTS ADP 10.757
267 2D7C GTP 10.7784
268 1RJ9 GCP 10.8614
269 3WXM GTP 10.8614
270 1GXU 2HP 10.989
271 1XEX ATP 11.0465
272 4C2W ANP 11.5385
273 1X8J A3P 11.6105
274 2OG2 MLI 11.6105
275 3N0S ACO 11.985
276 4L80 OXL 12.3596
277 3CV2 OXL 12.3596
278 1JQN DCO 12.3596
279 5JCA FAD 12.7341
280 3EC1 GDP 13.1086
281 4S3F 43W 13.5468
282 4C2V YJA 13.6364
283 4KCT PYR 13.8577
284 2NUN ADP 13.8577
285 4L9Z COA 14.2322
286 4L9Z OXL 14.2322
287 4E03 ADP 14.5631
288 2I5F 5IP 14.6789
289 1Z0A GDP 16.092
290 1TU3 GNP 16.3743
291 1FQJ GDP 16.6667
292 5DI3 GNP 17.8378
293 5JCZ GDP 19.4757
294 4LX0 BEF GDP 20.9738
295 4IP7 FLC 22.4719
296 1IZC PYR 28.4644
297 3MHP FAD 38.4615
Pocket No.: 2; Query (leader) PDB : 2VWT; Ligand: PYR; 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: 2vwt.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2VWT; Ligand: PYR; Similar sites found with APoc: 238
This union binding pocket(no: 3) in the query (biounit: 2vwt.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 4NG2 OHN None
2 5KSP GDP None
3 4KYK IMN None
4 1S8F GDP 1.69492
5 3APT FAD 1.87266
6 3NUB UD0 1.87266
7 3DZD ADP 1.87266
8 1B3X XYP XYP XYP 1.87266
9 5W75 GDP 1.87266
10 6GEH FAD 1.95312
11 2BL9 CP6 2.10084
12 1U7Z PMT 2.21239
13 5UIU 8CG 2.24719
14 4DCT GDP 2.24719
15 2GKS ADP 2.24719
16 2OWZ CIT 2.24719
17 1QMG APX 2.24719
18 1GOJ ADP 2.24719
19 3H4L ANP 2.24719
20 4EIL NDP 2.24719
21 2B8W ALF 5GP 2.24719
22 3KRL KRL 2.24719
23 2QV7 ADP 2.24719
24 5GVL GI8 2.24719
25 5GVL PLG 2.24719
26 1AJ0 SAN 2.24719
27 1AJ0 PH2 2.24719
28 1KO8 6PG 2.28571
29 4V0K GDP 2.36686
30 1GWN GTP 2.43902
31 2JB2 PHE 2.62172
32 3OND NAD 2.62172
33 1D8T GDP 2.62172
34 2R09 4IP 2.62172
35 4ZKD GDP 2.62172
36 4G5G GDP 2.62172
37 1TB3 FMN 2.62172
38 3U6B GDP 2.62172
39 2X77 GDP 2.6455
40 1M7B GTP 2.71739
41 2QQ0 ANP 2.71739
42 2QQ0 THM 2.71739
43 4KQ6 DLZ 2.7933
44 3QVV A3P 2.99625
45 2VTD LKM 2.99625
46 9ABP GAL 2.99625
47 9ABP GLA 2.99625
48 3CU0 UDP 2.99625
49 2XT3 ADP 2.99625
50 3ZQ6 ADP ALF 2.99625
51 3QP6 HL6 3.01887
52 1YRB GDP 3.05344
53 1FHW I5P 3.10078
54 2BR6 HSL 3.1746
55 6BCA GSP 3.31126
56 6FK3 PPI 3.37079
57 6C4M NAP 3.37079
58 1SQ5 ADP 3.37079
59 3ZS9 ADP ALF 3.37079
60 2Y6O 1N1 3.37079
61 2QV6 GTP 3.37079
62 2ABJ CBC 3.37079
63 5JCP GDP ALF 3.57995
64 3PQC GDP 3.58974
65 1TT8 PHB 3.65854
66 2ZPT A3P 3.74532
67 5ZBR ANP 3.74532
68 2YIC TPP 3.74532
69 4PC3 GDP 3.74532
70 1NST A3P 3.74532
71 2CWH NDP 3.74532
72 1IHU AF3 3.74532
73 1IHU ADP 3.74532
74 3OEN GLU 3.74532
75 2CJF RP4 3.82166
76 2Z6C FMN 3.87597
77 3RT4 LP5 4.09357
78 1GTE FAD 4.11985
79 3MGB PAP 4.11985
80 4AG5 ADP 4.11985
81 6DEF GCP 4.11985
82 4GOX A3P 4.11985
83 4FRZ ADP 4.11985
84 4RI1 ACO 4.30108
85 3N5C GDP 4.32099
86 1U18 HSM 4.32432
87 1VG1 GDP 4.32432
88 3IUY AMP 4.38596
89 1MR3 G3D 4.41989
90 2HF9 GSP 4.42478
91 4TM3 FAD 4.49438
92 5FG3 GDP 4.49438
93 2VOS ADP 4.49438
94 2X06 NAD 4.49438
95 5YT0 GDP 4.49438
96 4QDI ATP 4.49438
97 5A0U CHT 4.49438
98 4B47 GDP 4.49438
99 4HI0 GDP 4.5283
100 2FFQ GSP 4.67836
101 4WUJ FMN 4.7619
102 3A06 NDP 4.86891
103 1J0D 5PA 4.86891
104 2X2M X2M 4.86891
105 3AQ4 GDP 4.8913
106 1D5C GDP 4.93827
107 3T1O GDP 5.05051
108 1TX4 ALF GDP 5.05051
109 2B99 RDL 5.12821
110 2W83 GTP 5.19481
111 3KTA AP5 5.20231
112 3B7G ANP 5.21739
113 5BN3 ADP 5.24345
114 4JD3 PLM 5.24345
115 4JD3 COA 5.24345
116 4J0Q GDP 5.24345
117 2VCH UDP 5.24345
118 1MKY GDP 5.24345
119 4NON GDP 5.38462
120 1UJ2 C5P 5.55556
121 1FKB RAP 5.60748
122 3FWY ADP 5.61798
123 1G7S GDP 5.61798
124 5TSH ADP 5.61798
125 2CK3 ANP 5.61798
126 2D4V NAD 5.61798
127 1OHE ACE ALA SEP PRO 5.61798
128 4ZG4 VO4 ADP 5.61798
129 1QD1 FON 5.61798
130 1KYV RBF 5.66038
131 6EWZ APC 5.90717
132 5XJ8 NKO 5.97015
133 5A65 TPP 5.99078
134 3NC9 TR3 5.99251
135 6BC3 COA 5.99251
136 6BC3 SIS 5.99251
137 5L3S GNP 5.99251
138 5L3V GDP 5.99251
139 2OBM ADP 5.99251
140 5MJA 7O3 5.99251
141 3BFV ADP 5.99251
142 2J59 GTP 6.0241
143 2V7Q ATP 6.06061
144 1RE0 GDP 6.09756
145 1S9D GDP 6.09756
146 4R6W SAH 6.20155
147 4R6W PC 6.20155
148 1SKQ GDP 6.36704
149 2PID YSA 6.36704
150 3HBF UDP 6.36704
151 5J5R 6G1 6.36704
152 5J5R IMP 6.36704
153 1Q19 APC 6.36704
154 2ZW5 COA 6.36704
155 2I4I AMP 6.36704
156 1W7J ADP BEF 6.62252
157 2WJH FLC 6.62651
158 2WJH GDP 6.62651
159 1FZQ GDP 6.62983
160 1YZG GDP 6.70391
161 2QZS 250 6.74157
162 2QZS GLC 6.74157
163 2QZS ADP 6.74157
164 3KH5 ADP 6.74157
165 4LC1 GDP 6.74157
166 4KVL PLM 6.74157
167 5KDO GDP 6.75676
168 3VX3 ADP 6.85484
169 4TTQ ATP 6.97674
170 2G77 GDP 7.07071
171 4US3 TRP 7.11611
172 1SAY PYR 7.11611
173 4RZ3 ADP 7.11611
174 5OCQ 9RN G4S 9RN G4S 7.11611
175 4KBF AMP 7.11611
176 5SVV FMN 7.29927
177 1Z06 GNP 7.40741
178 1ZJ6 G3D 7.48663
179 5XKT GNP 7.5
180 5DKK FMN 7.58621
181 3RK1 ATP 7.59494
182 4K7O EKZ 7.7381
183 3B4Y F42 7.86517
184 1T8U A3P 7.86517
185 1XKD NAP 7.86517
186 4TL6 ANP 7.90514
187 1YZN GNP 8.10811
188 5CEO 50D 8.2397
189 2XTZ GSP 8.2397
190 5J60 FAD 8.2397
191 4CW5 FMN 8.2397
192 1GP2 GDP 8.4507
193 2A9K GDP 8.55615
194 1XNG DND 8.58209
195 5W7Q GDP 8.61423
196 2FAH GDP 8.98876
197 4NZF ARB 8.98876
198 2WIC GNP 8.98876
199 1RBL CAP 9.17431
200 1OIV GDP 9.42408
201 3WY9 GDP 9.73783
202 3WYA GDP 9.73783
203 4X1T UDP 9.73783
204 5N9T 8QQ 9.73783
205 1G7C 5GP 10.4869
206 1Q20 A3P 10.8614
207 1Q20 PLO 10.8614
208 1Z6T ADP 10.8614
209 3G08 FEE 11.1111
210 4PJ3 ANP 11.236
211 4XDZ NDP 11.6105
212 6ER9 FAD 11.6105
213 5L3R GCP 11.6105
214 3B9Q MLI 11.6105
215 1E6E FAD 11.7188
216 4WOP CTP 12
217 2V2G BEZ 12.0172
218 4CVN ADP 12.0419
219 5H67 ATP 12.0603
220 5A89 ADP 12.1795
221 3CNL GNP 12.2137
222 3LRE ADP 12.3596
223 1X1R GDP 12.3596
224 2BME GNP 12.3656
225 1Z0F GDP 12.8492
226 4D0N GDP 14.0541
227 4LPS GDP 14.876
228 3SFV GDP 14.9171
229 5O74 GDP 15
230 5BYK A3P 15.0579
231 5BYK OAQ 15.0579
232 3NKV GNP 15.4286
233 3ZIA ATP 17.4603
234 5Z84 PGV 17.8571
235 1F6B GDP 18.1818
236 6AIC AMP 23.3645
237 1XAJ CRB 24.3446
238 5UQW GDP 24.8677
Pocket No.: 4; Query (leader) PDB : 2VWT; Ligand: PYR; 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: 2vwt.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2VWT; Ligand: PYR; Similar sites found with APoc: 122
This union binding pocket(no: 5) in the query (biounit: 2vwt.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 1U3G THF None
2 5IXG OTP None
3 4WW8 VD9 None
4 1YZX GSF None
5 5FTB ANP 1.1236
6 3MF2 AMP 1.49813
7 1E2K TMC 1.87266
8 1DAR GDP 1.87266
9 1YIQ PQQ 2.24719
10 1FNN ADP 2.24719
11 4C5N PXL 2.24719
12 4C5N ACP 2.24719
13 1YB5 NAP 2.5641
14 1A4R GNH 2.6178
15 1A4R GDP 2.6178
16 3P3G UKW 2.62172
17 3P3G 3P3 2.62172
18 3U6K GDP 2.62172
19 1IN4 ADP 2.62172
20 3DLS ADP 2.62172
21 5W76 GDP 2.62172
22 5JBQ GDP 2.62172
23 4ITR GDP 2.62172
24 3R35 4CO 2.64901
25 2QQ0 ADP 2.71739
26 2QQ0 TMP 2.71739
27 1M7G ADP 2.8436
28 2AMV BIN 2.99625
29 1JV1 UD1 2.99625
30 4R43 GDP 2.99625
31 1J0X NAD 2.99625
32 4CYD CMP 3.11111
33 3VZS CAA 3.11284
34 1XX6 ADP 3.14136
35 3FIU POP 3.21285
36 5KBF CMP 3.37079
37 2JL1 NAP 3.37079
38 1F76 ORO 3.37079
39 1NZY BCA 3.74532
40 2FNU PMP UD1 3.74532
41 1TV5 ORO 3.74532
42 1ITZ TPP 3.74532
43 1W5T ANP 3.74532
44 5Y4R C2E 3.74532
45 4KQI NIO 3.74532
46 4KQI RBZ 3.74532
47 1W5T ADP 3.74532
48 5XLY C2E 3.7594
49 4WK1 2BA 3.87597
50 4C0R GDS 4.03226
51 2NV4 SAM 4.08163
52 1B7T ADP 4.11985
53 4D3F NAP 4.11985
54 4U31 MVP 4.11985
55 5GT9 NAP 4.18251
56 2QTR NXX 4.2328
57 4RLE 2BA 4.2735
58 1T57 FMN 4.36893
59 5T2U NAP 4.43548
60 3X27 TRP 4.49438
61 2ZPA ADP 4.49438
62 1J3I NDP 4.49438
63 4X7Y SAH 4.49438
64 1OC7 MA3 4.49438
65 5G1X ADP 4.49438
66 4IXH IMP 4.49438
67 2AWN ADP 4.49438
68 2Q1W NAD 4.49438
69 5U32 GDP 4.66102
70 3P48 DUP 4.7619
71 2C6Q NDP 4.86891
72 3CIF NAD 4.86891
73 3CIF G3H 4.86891
74 5L3W GDP 4.86891
75 6GNO XDI 5.18518
76 4WZA ADP 5.24345
77 4WZA ACP 5.24345
78 1KQP ADJ 5.24345
79 3G6K FAD 5.24345
80 3G6K POP 5.24345
81 2X3J X3J 5.24345
82 5E2N V14 5.32319
83 3IHZ FK5 5.55556
84 5O4J 9KH 5.61798
85 1W78 PD8 5.61798
86 1W0J ADP BEF 5.61798
87 5ND5 TPP 5.61798
88 4RYV ZEA 5.80645
89 2I4O ATP 5.99251
90 1TQ4 GDP 5.99251
91 4AF0 IMP 6.36704
92 4NW6 2NS 6.74157
93 2IU8 PLM 6.74157
94 3PE2 E1B 7.11611
95 3H22 B53 7.11611
96 1DSS NAD 7.11611
97 1A5Z FBP 7.21003
98 6B4K ANP 7.49064
99 5XET ME8 7.86517
100 3BFX A3P 7.86517
101 2B4R NAD 8.11594
102 2B4R AES 8.11594
103 4Z87 5GP 8.2397
104 1VG9 GDP 8.2397
105 1XNG ATP 8.58209
106 1P72 ADP 8.61423
107 2VYN NAD 8.61423
108 3I54 CMP 8.83534
109 4XGU ADP 8.96226
110 1PVN MZP 10.1124
111 3BEO UD1 10.1124
112 4UDG NDG 10.4869
113 1NJF AGS 11.6
114 1HE1 GDP 11.9318
115 5A89 FMN 12.1795
116 2PZ8 APC 12.3596
117 4L80 1VU 12.3596
118 4D7E FAD 12.7341
119 2EFE GNH 16.0221
120 3ZIA ADP 17.4603
121 2DPY ADP 19.4757
122 5ODQ 9SB 23.5955
Pocket No.: 6; Query (leader) PDB : 2VWT; Ligand: PYR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2vwt.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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