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Receptor
PDB id Resolution Class Description Source Keywords
2WPB 2.05 Å EC: 4.1.3.3 CRYSTAL STRUCTURE OF THE E192N MUTANT OF E. COLI N- ACETYLNEURAMINIC ACID LYASE IN COMPLEX WITH PYRUVATE AND T HE INHIBITOR (2R,3R)-2,3,4-TRIHYDROXY-N,N- DI PROPYLBUTANAMIDE IN SPACE GROUP P21 CRYSTAL FORM I ESCHERICHIA COLI SUBSTRATE SPECIFICITY CARBOHYDRATE METABOLISM PROTEIN ENGILYASE ALDOLASE SCHIFF BASE
Ref.: STRUCTURAL INSIGHTS INTO SUBSTRATE SPECIFICITY IN VARIANTS OF N-ACETYLNEURAMINIC ACID LYASE PRODUCED BY DIRECTED EVOLUTION. J.MOL.BIOL. V. 404 56 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZZI A:1298;
B:1297;
C:1297;
D:1297;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Ki = 1.3 mM
219.278 C10 H21 N O4 CCCN(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2WPB 2.05 Å EC: 4.1.3.3 CRYSTAL STRUCTURE OF THE E192N MUTANT OF E. COLI N- ACETYLNEURAMINIC ACID LYASE IN COMPLEX WITH PYRUVATE AND T HE INHIBITOR (2R,3R)-2,3,4-TRIHYDROXY-N,N- DI PROPYLBUTANAMIDE IN SPACE GROUP P21 CRYSTAL FORM I ESCHERICHIA COLI SUBSTRATE SPECIFICITY CARBOHYDRATE METABOLISM PROTEIN ENGILYASE ALDOLASE SCHIFF BASE
Ref.: STRUCTURAL INSIGHTS INTO SUBSTRATE SPECIFICITY IN VARIANTS OF N-ACETYLNEURAMINIC ACID LYASE PRODUCED BY DIRECTED EVOLUTION. J.MOL.BIOL. V. 404 56 2010
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2WPB Ki = 1.3 mM ZZI C10 H21 N O4 CCCN(CCC)C....
2 2WNZ - LAC C3 H6 O3 C[C@H](C(=....
3 2XFW - PYR C3 H4 O3 CC(=O)C(=O....
4 2WKJ - PYR C3 H4 O3 CC(=O)C(=O....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2WPB Ki = 1.3 mM ZZI C10 H21 N O4 CCCN(CCC)C....
2 2WNZ - LAC C3 H6 O3 C[C@H](C(=....
3 2XFW - PYR C3 H4 O3 CC(=O)C(=O....
4 2WKJ - PYR C3 H4 O3 CC(=O)C(=O....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2WPB Ki = 1.3 mM ZZI C10 H21 N O4 CCCN(CCC)C....
2 2WNZ - LAC C3 H6 O3 C[C@H](C(=....
3 2XFW - PYR C3 H4 O3 CC(=O)C(=O....
4 2WKJ - PYR C3 H4 O3 CC(=O)C(=O....
5 4IMF - SI3 C11 H19 N O9 CC(=O)N[C@....
6 4IMG - NGF C11 H19 N O10 C([C@@H]([....
7 1F73 Ki = 4.1 mM HMN C11 H21 N O9 CC(=O)N[C@....
8 1F74 Ki = 0.9 mM NAY C11 H19 N O8 CC(=O)N[C@....
9 5KZD Ki = 0.39 mM RCJ C11 H21 N O9 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ZZI; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 ZZI 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2WPB; Ligand: ZZI; Similar sites found with APoc: 285
This union binding pocket(no: 1) in the query (biounit: 2wpb.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 1LOJ URI None
2 1LOJ U None
3 2GJ8 ALF GDP None
4 4CM8 NAP 1.04167
5 5JDI NAP 1.04167
6 3BMQ NAP 1.04167
7 4CM4 NAP 1.04167
8 3JQ7 NAP 1.04167
9 3JQF NAP 1.04167
10 3BMO NAP 1.04167
11 3JQB NAP 1.04167
12 3BMN NAP 1.04167
13 3JQG NAP 1.04167
14 3JQA NAP 1.04167
15 5JDC NAP 1.04167
16 5JCJ NAP 1.04167
17 4CMI NAP 1.04167
18 4CLO NAP 1.04167
19 2WD7 NAP 1.1194
20 2VZ0 D64 1.1194
21 2VZ0 NAP 1.1194
22 4MZU TDR 1.31579
23 2NZU BG6 1.42857
24 1F20 NAP 1.64474
25 4ER2 IVA VAL VAL STA ALA STA 1.64474
26 1TLL NAP 1.64474
27 7CPA FVF 1.64474
28 4DQL NAP 1.64474
29 5THZ SAH 1.64474
30 5EEH SAH 1.64474
31 5VCM UDP 1.64474
32 1PNO NAP 1.66667
33 5MGZ SAH 1.69492
34 1RC0 KT5 1.91388
35 5GSN MMZ 1.97368
36 5GSN FAD 1.97368
37 5GSN NAP 1.97368
38 6FDF SAH 1.97368
39 5EK3 5PK 1.97368
40 5FUB SAH 1.97368
41 4GID 0GH 1.97368
42 1QZZ SAM 1.97368
43 5FWA J7C 1.97368
44 1XDS SAM 1.97368
45 2HMT NAI 2.08333
46 5WUW NAP 2.09059
47 2FWP ICR 2.18579
48 2FWP CIT 2.18579
49 5JIC ADP 2.1978
50 4ITU NAI 2.23048
51 4XJ7 ADE 2.24719
52 1RJD SAM 2.30263
53 5DXA SFG 2.30263
54 5DWQ SFG 2.30263
55 5DX8 SFG 2.30263
56 1BUC CAA 2.30263
57 1KOL NAD 2.30263
58 5L13 6ZE 2.30263
59 5DX1 SFG 2.30263
60 2PT9 2MH 2.30263
61 1OZH HE3 2.30263
62 3V1U NAD 2.30263
63 2PT9 S4M 2.30263
64 3VZ3 NAP 2.30263
65 5KOK SAH 2.30263
66 4A6D SAM 2.30263
67 1L1E SAH 2.43902
68 2I7C AAT 2.4735
69 2B4Q NAP 2.53623
70 1BC5 SAH 2.60223
71 5L9O GOP 2.61194
72 1DQS NAD 2.63158
73 1DQS CRB 2.63158
74 3MB5 SAM 2.63158
75 3TLJ SAH 2.63158
76 3GL0 HXX 2.63158
77 4IRP UDP 2.63158
78 5W7R SAH 2.63158
79 3K8D KDO 2.65152
80 1NFQ NAI 2.69231
81 6CI9 NAP 2.7027
82 3A28 NAD 2.71318
83 3HVJ 705 2.71493
84 1S7G NAD 2.7668
85 2A0W DIH 2.76817
86 5GRM 1SY 2.85714
87 4C5N ACP 2.89855
88 2QV7 ADP 2.96053
89 1UWK NAD 2.96053
90 1UWK URO 2.96053
91 5O98 NAP 2.96053
92 5KD6 6C7 2.96053
93 4GXQ ATP 2.96053
94 4FUT ATP 2.96053
95 5UCD NAP 2.96053
96 3GWZ SAH 2.96053
97 4FZV SAM 2.96053
98 3IWJ NAD 2.96053
99 4N49 SAM 3.03738
100 2QGI UDP 3.22581
101 5BSH PRO 3.2491
102 4LXQ TYD 3.28467
103 4LXQ FON 3.28467
104 5UQK U2F 3.28947
105 2C1X UDP 3.28947
106 4I54 1C1 3.28947
107 2P53 NNG 3.28947
108 4XF6 ADP 3.2967
109 4XF6 INS 3.2967
110 4XF6 LIP 3.2967
111 1UAY ADN 3.30579
112 2C49 ANP 3.31126
113 5OVL NAP 3.33333
114 3G2O SAM 3.34448
115 1KPG SAH 3.48432
116 1TPY SAH 3.48432
117 1KPH SAH 3.48432
118 2XVM SAH 3.51759
119 1VE3 SAM 3.52423
120 1KDO C 3.52423
121 2RH4 EMO 3.61011
122 3G89 SAM 3.61446
123 2XVF FAD 3.61842
124 3EPW JMQ 3.61842
125 1OFD AKG 3.61842
126 1OFD FMN 3.61842
127 3TKY SAH 3.61842
128 4PXL NAD 3.61842
129 2WGH DTP 3.61842
130 2J5V RGP 3.61842
131 2BSA NAP 3.63036
132 3TMK T5A 3.7037
133 2GZM DGL 3.74532
134 3QKD HI0 3.8674
135 5OVK NDP 3.90625
136 5M58 SAH 3.91304
137 5ICK FEZ 3.93013
138 1QFY NAP 3.94737
139 1QFY FAD 3.94737
140 4GQB 0XU 3.94737
141 5FA5 MTA 3.94737
142 3EXH TPP 3.94737
143 2OZL TPP 3.94737
144 1YF4 CYS TYR PHE GLN ASN CYS PRO ARG GLY NH2 4.03587
145 4CS9 AMP 4.2328
146 5HRA DAS 4.25532
147 1WPY BTN 4.25532
148 3CTY FAD 4.27632
149 4O67 1SY 4.27632
150 1EWK GLU 4.27632
151 1RRM APR 4.27632
152 4B7X NAP 4.27632
153 5K8C NAD 4.46927
154 4QAR ADE 4.47761
155 1Q7B NAP 4.5082
156 4UUU SAM 4.51613
157 5E5U MLT 4.54545
158 4NBT NAD 4.58333
159 4AF0 IMP 4.60526
160 1ITZ TPP 4.60526
161 6BQ6 TER 4.60526
162 3VPD CIT 4.62633
163 3FV1 DYH 4.6875
164 4ZA2 NAD 4.74308
165 2JDC CAO 4.79452
166 5EOB 5QQ 4.93421
167 5ZCT ANP 4.93421
168 2ZWA SAH 4.93421
169 5UY8 AMZ 4.93421
170 2VL8 UDP 4.93421
171 2VL8 CTS 4.93421
172 4D9C PMP 4.93421
173 4C0X FMN 4.93421
174 4C0X AQN 4.93421
175 1J0D 5PA 4.93421
176 3UZO GLU 4.93421
177 6G1P CIT 4.93421
178 3DUV KDO 4.96183
179 3FPF TNA 5.03356
180 3FPF MTA 5.03356
181 4NBW NAD 5.05837
182 4IJ6 SEP 5.21327
183 1N7G GDR 5.26316
184 1QX4 FAD 5.26316
185 6C5B SAH 5.26316
186 3L9R L9R 5.30035
187 2DTX BMA 5.30303
188 5C9J DAO 5.33808
189 2C6Q IMP 5.41311
190 1JG3 ADN 5.53191
191 3FRH SAH 5.5336
192 4M0R 644 5.5409
193 3CV9 VDX 5.59211
194 3QJ4 FAD 5.59211
195 5ND5 TPP 5.59211
196 1LBF 137 5.66802
197 4NTC FAD 5.67164
198 3WDM ADN 5.74713
199 5EJ2 NAD 5.92105
200 4KRI SAH 5.92105
201 3ZIU LSS 5.92105
202 5M3E APR 6.06061
203 2O4N TPV 6.06061
204 1EDO NAP 6.14754
205 3V4S ADP 6.25
206 2IGA XX3 6.25
207 2IGA XX2 6.25
208 2IGA XXP 6.25
209 1YKD CMP 6.25
210 4PTZ FMN 6.28272
211 5K7U SAM 6.57895
212 4URF NAD 6.57895
213 5THY SAH 6.57895
214 5J60 FAD 6.57895
215 1VQW FAD 6.57895
216 3ZKK XYP XYP XYP XYP 6.57895
217 3H0A D30 6.57895
218 1FP2 SAH 6.57895
219 4KVA GTP 6.79612
220 4OSP NAP 6.84411
221 2FK8 SAM 6.90789
222 3H4V NAP 6.94444
223 3H4V DVP 6.94444
224 4JSR 1NQ 7.01754
225 3GDH SAH 7.05394
226 1GAR U89 7.07547
227 2CFC NAD 7.2
228 3L9W AMP 7.26392
229 4BLW AMP 7.26644
230 5THQ NDP 7.35294
231 5MW4 5JU 7.56579
232 3H8V ATP 7.87671
233 4IWN GEK 7.89474
234 1YFS ALA 7.89474
235 1FFU CDP 7.97546
236 3OID NDP 8.22368
237 4IDC 1XX 8.22368
238 4IDC NDP 8.22368
239 3O03 NAP 8.24742
240 2PWY SAH 8.52713
241 1KYV RBF 8.80503
242 1GEE NAD 8.81226
243 3A27 SAM 8.82353
244 1I1N SAH 8.84956
245 2QTZ NAP 8.88158
246 1R9J TPP 8.88158
247 3ZOK NAD 9.21053
248 3EYA FAD 9.21053
249 5HJM MTA 9.21053
250 4FN4 NAD 9.44882
251 2VUT NAD 9.53947
252 6EV2 BGC 9.67742
253 5LXT ACP 9.79021
254 4WOE 3S5 9.86842
255 4LZJ 22H 9.90099
256 3F6R FMN 10.1351
257 1RLZ NAD 10.1974
258 3UOY FAD 10.5263
259 3UOY NAP 10.5263
260 5W7B PA1 PO4 FTT FTT GCS FTT PO4 KDO MYR 10.6383
261 5TDU PCR 10.7143
262 2NYA MGD 10.8553
263 3KAP FMN 10.8844
264 3A4T SFG 10.9489
265 6B8O PSF 11.2426
266 5IL1 SAM 11.3208
267 3JQM GTP 11.465
268 5XKT GNP 11.5
269 3ML1 MGD 12.5
270 1EJ0 SAM 12.7778
271 1LSS NAD 12.8571
272 3FDZ DG2 13.2296
273 1FMB HYB 13.4615
274 5L95 AMP 13.75
275 1AE1 NAP 13.9194
276 1XAJ CRB 14.1447
277 1XAJ NAD 14.1447
278 5ME4 HP4 14.5985
279 3NDJ SAH 15.7895
280 3NDJ JHZ 15.7895
281 2NSJ C2R 21.3018
282 1B74 DGN 25.9843
283 5MWE TCE 28.3951
284 6D6Y SAH 29.9342
285 4ZOW CLM 31.9079
Pocket No.: 2; Query (leader) PDB : 2WPB; Ligand: ZZI; Similar sites found with APoc: 202
This union binding pocket(no: 2) in the query (biounit: 2wpb.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 1M7Y PPG 0.986842
2 5K6A NAP 1.04167
3 4CLR NAP 1.04167
4 3JQ8 NAP 1.04167
5 4CM9 NAP 1.04167
6 3JQ9 NAP 1.04167
7 4CME NAP 1.04167
8 5OJ7 AR6 1.3986
9 2BD0 NAP 1.63934
10 5EEH P9P 1.64474
11 1FC4 AKB PLP 1.64474
12 6ECU SAH 1.64474
13 3A25 SAM 1.66113
14 3AY6 NAI 1.85874
15 3BGD PM6 1.92308
16 3BGD SAH 1.92308
17 5VW2 NAP 1.97368
18 5VW2 FDA 1.97368
19 1PVN MZP 1.97368
20 1ZK4 NAP 1.99203
21 1ZK4 AC0 1.99203
22 2JAH NDP 2.02429
23 3VPB ADP 2.12766
24 4ITU 1HS 2.23048
25 1M5B BN1 2.28137
26 6ARJ SAH 2.30263
27 6ARJ BW4 2.30263
28 1VDC FAD 2.30263
29 5KOK S9T 2.30263
30 5KOK R9T 2.30263
31 5DX0 SFG 2.30263
32 4M37 SAH 2.30263
33 1UPA TPP 2.30263
34 3SJ7 NDP 2.38095
35 2JAP NDP 2.42915
36 4HA6 FAD 2.55906
37 3O26 NDP 2.63158
38 4MO2 FAD 2.63158
39 4MO2 FDA 2.63158
40 4QYS PLP SEP 2.63158
41 1XSE NDP 2.71186
42 1S7G APR 2.7668
43 1N5D NDP 2.77778
44 1B8O IMH 2.8169
45 2VDV SAM 2.84553
46 4YRY NAD 2.89855
47 3LST SAH 2.96053
48 3TKA SAM 2.96053
49 2R5E QLP 2.96053
50 4EVQ PHB 2.96053
51 5VEQ PMP 2.96053
52 3GXO SAH 2.96053
53 3SM2 478 3.0303
54 1TFZ 869 3.06604
55 3ICC NAP 3.13725
56 1G0N NDP 3.18021
57 1G0N PHH 3.18021
58 3GCZ SAM 3.19149
59 1XG5 NAP 3.22581
60 1IBR GNP 3.24074
61 1BDB NAD 3.2491
62 2PXX SAH 3.25581
63 3Q9T FAY 3.28947
64 6H3O FAD 3.28947
65 5WQP NCA 3.4188
66 5WQP NAP 3.4188
67 4L6C 0BT 3.46535
68 2JL1 NAP 3.48432
69 2BES RES 3.48837
70 3WXB NDP 3.58423
71 1FP1 SAH 3.61842
72 5L4S NAP 3.61842
73 5L4S 6KX 3.61842
74 1I8T FAD 3.61842
75 2PO3 T4K 3.61842
76 1XKQ NDP 3.61842
77 2WOJ ADP ALF 3.61842
78 3L2B B4P 3.67347
79 5YSS NAD 3.90625
80 3LCV SAM 3.91459
81 5I60 67W 3.94737
82 3QFS NAP 3.94737
83 3QFS FAD 3.94737
84 1Y8Q ATP 3.94737
85 4KIB SAH 3.94737
86 5WDR GNP 4.09357
87 3T7S SAM 4.10448
88 3OU2 SAH 4.12844
89 1U08 PLP 4.14508
90 4KWI 1TJ 4.18251
91 3ZV6 4HB 4.27046
92 3ZV6 NAD 4.27046
93 5LYR MAN MNM 4.27632
94 5EB4 FAD 4.27632
95 3TN7 NJP 4.28016
96 2Q2V NAD 4.31373
97 1MXH DHF 4.34783
98 1MXH NAP 4.34783
99 1JA9 NDP 4.37956
100 4RJK TPP 4.60526
101 4Z24 FAD 4.60526
102 5E9W SAH 4.60526
103 3VZS NAP 4.66926
104 1VHW ADN 4.74308
105 4ZOH MCN 4.7619
106 4QTU SAM 4.80769
107 5MPT SAH 4.83092
108 2UYQ SAM 4.83871
109 5ULP KB1 4.85075
110 4KQW NAP 4.85714
111 5JPH COA 4.86111
112 1N07 ADP 4.90798
113 4NEC SAH 4.92424
114 6AU6 GDP 4.93421
115 6CUZ FEV 4.93421
116 3NUG NAD 5.26316
117 3C5E ATP 5.26316
118 1G55 SAH 5.26316
119 5B4T NAD 5.38462
120 5B4T 3HR 5.38462
121 4Y30 SAH 5.41311
122 4Y30 49L 5.41311
123 5FEU NAP 5.49828
124 5FA8 SAM 5.59006
125 4E70 N7I 5.59211
126 1SQF SAM 5.59211
127 1FND A2P 5.92105
128 1FND FAD 5.92105
129 4M73 M72 5.92105
130 5HSA FAS 5.92105
131 4M73 SAH 5.92105
132 4PU5 ANP 5.92105
133 5CUQ NSC 5.99251
134 3EVG SAH 6.18182
135 5FFF NAP 6.22568
136 4YNU LGC 6.25
137 1KYZ FER 6.25
138 4YNU FAD 6.25
139 1KYZ SAH 6.25
140 2F5Z FAD 6.25
141 3P9C SAH 6.25
142 1ZGA SAH 6.44258
143 2GVC FAD 6.57895
144 2GV8 FAD 6.57895
145 3QWI NAP 6.66667
146 1H5Q NAP 6.79245
147 4NNB OAA 6.90789
148 4K81 GTP 7.01754
149 1WMA NDP 7.24638
150 1WMA AB3 7.24638
151 1X1T NAD 7.30769
152 3QOX SAH 7.56579
153 5AHM IMP 7.56579
154 5UWH GNP 7.56579
155 3WYF GTP 7.56579
156 4HAT GNP 7.56579
157 5UWI GNP 7.56579
158 5UWT GNP 7.56579
159 5DHF GNP 7.56579
160 3WYG GTP 7.56579
161 5UWW GNP 7.56579
162 5DI9 GNP 7.56579
163 5UWP GNP 7.56579
164 5DIF GNP 7.56579
165 4YAG NAI 7.61246
166 1W6U NAP 7.61589
167 5O42 NAD 7.66423
168 5O42 BGC 7.66423
169 5O42 9JW 7.66423
170 4ONQ SFG 7.89474
171 5ICE SAH 7.89474
172 1QSR ACO 8.02469
173 4RF2 NAP 8.08823
174 2O1V ADP 8.22368
175 2E7Z MGD 8.55263
176 1FK8 NAD 8.88158
177 3EYA TDP 9.21053
178 1GSA ADP 9.21053
179 1UZN NAP 9.31174
180 5XDT ZI7 9.41558
181 5T2U NAP 9.67742
182 5YSQ INS 9.79021
183 1WA5 GTP 9.86842
184 2FNU PMP UD1 10.1974
185 3RNM FAD 10.3448
186 3RMK BML 10.8434
187 2R5C C6P 10.8553
188 1PR9 NAP 11.0656
189 2AE2 NAP 11.5385
190 2AE2 PTO 11.5385
191 3AFN NAP 11.6279
192 3BF1 ADP 11.6466
193 3BF1 PAU 11.6466
194 1O94 ADP 12.1711
195 1ZBQ NAD 12.5
196 3QV1 NAD 13.4146
197 2BZG SAH 13.7931
198 5EYK 5U5 15.2542
199 4FL3 ANP 15.7895
200 1GEG NAD 16.0156
201 2EWM NAD 20.0803
202 2AZC 3TL 21.2121
Pocket No.: 3; Query (leader) PDB : 2WPB; Ligand: ZZI; Similar sites found with APoc: 113
This union binding pocket(no: 3) in the query (biounit: 2wpb.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 6GKV SAH 0.986842
2 5OM2 DXT 1.31579
3 6ECW SAH 1.64474
4 3DJF BC3 1.74216
5 5H86 BCO 1.78571
6 5BO9 CSF 1.97368
7 4YAC NAI 2.0202
8 1T26 NAI 2.17391
9 1T26 GBD 2.17391
10 5JIC N7E 2.1978
11 6HQD SRT 2.30263
12 1BAI 0Q4 2.41935
13 4Q9M 2ZW 2.43902
14 4Q9M FPP 2.43902
15 5OC1 FAD 2.63158
16 4BQS K2Q 2.84091
17 4YLG GDP 2.89017
18 4YRY FAD 2.89855
19 1P3D ANP 2.96053
20 4XTX 590 2.96296
21 5ZZO FLC 2.98507
22 1G2O IMH 2.98507
23 4AFH L0B 3.04348
24 1V7Z CRN 3.07692
25 4IXH IMP 3.28947
26 4EJN 0R4 3.28947
27 3A8T ATP 3.28947
28 4R4U COA 3.46021
29 3RAB GNP 3.5503
30 4LPG 1MV 3.61842
31 2XVE FAD 3.61842
32 3ZS9 ADP ALF 3.61842
33 3MF2 AMP 3.61842
34 2ZGY GDP 3.61842
35 2BSA FAD 3.63036
36 5JOX EDG 3.94737
37 4LHW GNP 4.02299
38 5Z2L NDP 4.08163
39 4KWI NAP 4.18251
40 1CJW COT 4.21687
41 5YJI SAH 4.57746
42 5YJI 8WO 4.57746
43 2NXW TPP 4.60526
44 3DJL FAD 4.60526
45 3VPD ANP 4.62633
46 2HF9 GSP 4.86726
47 1N07 FMN 4.90798
48 2WPX ACO 4.93421
49 3VP6 HLD 4.93421
50 5XJ7 87O 4.97512
51 6F9Q NAD 5.14706
52 3AB4 THR 5.26316
53 5LAU AR6 5.26316
54 1R6B ADP 5.26316
55 5EYP LOC 5.26316
56 4KGM ATP 5.30612
57 6BXO SAH 5.59211
58 1U1F 183 5.85938
59 5BN3 ADP 5.92105
60 4OOE NDP 5.94059
61 4OOE FOM 5.94059
62 4CQM NAP 6.13027
63 5VEG FMN 6.17978
64 5K2M ADP 6.22711
65 4F07 FAD 6.31579
66 3O3R NAP 6.32911
67 1G4U GDP 6.52174
68 3WGT FAD 6.57895
69 5J7X FAD 6.57895
70 3WGT QSC 6.57895
71 2C5L GTP 6.93642
72 2PHR MAN MAN 7.14286
73 2PHW MAN MAN 7.14286
74 3REF GDP 7.2165
75 3AKK ADP 7.23684
76 3HQP FDP 7.23684
77 5O1I 9GH 7.30594
78 1TDF FAD 7.56579
79 3M1I GTP 7.56579
80 5UWU GNP 7.56579
81 5UWR GNP 7.56579
82 5UWS GNP 7.56579
83 5UWQ GNP 7.56579
84 5UWO GNP 7.56579
85 4I9B NAD 7.56579
86 6CIT GNP 7.56579
87 5ICE 2H4 7.89474
88 6BSW UDP 7.89474
89 6BSW CE6 7.89474
90 5AZC PGT 8
91 3HRD MCN 8.125
92 3ITJ FAD 8.22368
93 5LGD PLM 8.37989
94 1T90 NAD 8.55263
95 2BHZ MAL 9.21053
96 5XDT MB3 9.41558
97 4PYH GLC GLC GLC GLC GLC GLC 9.86395
98 5G5G MCN 10.1974
99 1RM6 PCD 10.1974
100 3RC1 NAP 10.8553
101 3RC1 TLO 10.8553
102 3D3W NAP 11.0656
103 4ZDJ UTP 11.1842
104 4NBU NAI 11.2
105 1XTT U5P 11.5741
106 1MI3 NAD 12.1711
107 5ECP JAA 12.5561
108 5ECP MET 12.5561
109 5J1S ATP 15.4472
110 4HDO GNP 17.9641
111 4AG9 COA 18.7879
112 3A3B RBF 21.0526
113 5D6J ATP 22.973
Pocket No.: 4; Query (leader) PDB : 2WPB; Ligand: ZZI; Similar sites found with APoc: 61
This union binding pocket(no: 4) in the query (biounit: 2wpb.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 5TBM 79A None
2 4R6W SAH 1.55039
3 3KLJ FAD 1.64474
4 2Q3O FMN 1.64474
5 6MJF SAH 1.64474
6 2BLE 5GP 1.97368
7 2H92 C5P 2.28311
8 4YUW S4M 2.30263
9 4YUW 4JU 2.30263
10 6F97 FAD 2.30263
11 6GE9 ACO 2.30263
12 2Z49 AMG 2.30263
13 2Z48 NGA 2.30263
14 1ZOS MTM 2.6087
15 3DLS ADP 2.63158
16 1C3V NDP 2.85714
17 3LJU IP9 2.96053
18 5YFT RI2 2.96053
19 6FOG OXL 2.96053
20 5UAV TFB 3.28947
21 1JQ3 AAT 3.37838
22 5U5G NAP 3.38983
23 5Z2F NAP 3.39623
24 1TE2 PGA 3.53982
25 3C6K MTA 3.61842
26 3C6K SPD 3.61842
27 3JYN NDP 3.61842
28 1UJP CIT 3.69004
29 3G5S FAD 3.94737
30 4V3C C 3.94737
31 3GDN HBX 4.27632
32 3GDN FAD 4.27632
33 5GVH FMN 4.4586
34 5T67 JHZ 4.56731
35 5T67 SAH 4.56731
36 4RJK TDL 4.60526
37 6AMI TRP 4.93421
38 4TXJ THM 5.06757
39 2WTX UDP 5.26316
40 4A2B AGS 5.26316
41 5EYP GTP 5.26316
42 4QNW FMN 5.26316
43 4LPS GDP 5.3719
44 2C6Q NDP 5.41311
45 4IF4 BEF 5.76923
46 2J9D ADP 5.88235
47 2J9C ATP 5.88235
48 2A8Y MTA 5.92593
49 2RAB FAD 6.25
50 2B5W NAP 6.57895
51 1J3I WRA 6.57895
52 1J3I NDP 6.57895
53 3QPB R1P 6.73759
54 2YYY NAP 8.22368
55 3FPZ AHZ 9.53947
56 1NM5 NAP 9.85222
57 1NM5 NAD 9.85222
58 6FV4 16G 12.8289
59 1H74 ADP 14.1892
60 1H74 ILE 14.1892
61 4PTN GXV 38.484
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