-->
Receptor
PDB id Resolution Class Description Source Keywords
3KLL 2 Å EC: 2.4.1.5 CRYSTAL STRUCTURE OF LACTOBACILLUS REUTERI N-TERMINALLY TRUN GLUCANSUCRASE GTF180-MALTOSE COMPLEX LACTOBACILLUS REUTERI GLUCANSUCRASE-MALTOSE COMPLEX MULTIDOMAIN PROTEIN GLYCOSYLTRANSFERASE TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF A 117 KDA GLUCANSUCRASE FRAGME PROVIDES INSIGHT INTO EVOLUTION AND PRODUCT SPECIFI GH70 ENZYMES PROC.NATL.ACAD.SCI.USA V. 107 21406 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
GOL A:1783;
A:1784;
A:1785;
A:1786;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MAL A:1779;
A:1780;
A:1781;
A:1782;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
342.296 C12 H22 O11 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3KLL 2 Å EC: 2.4.1.5 CRYSTAL STRUCTURE OF LACTOBACILLUS REUTERI N-TERMINALLY TRUN GLUCANSUCRASE GTF180-MALTOSE COMPLEX LACTOBACILLUS REUTERI GLUCANSUCRASE-MALTOSE COMPLEX MULTIDOMAIN PROTEIN GLYCOSYLTRANSFERASE TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF A 117 KDA GLUCANSUCRASE FRAGME PROVIDES INSIGHT INTO EVOLUTION AND PRODUCT SPECIFI GH70 ENZYMES PROC.NATL.ACAD.SCI.USA V. 107 21406 2010
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3HZ3 - SUC C12 H22 O11 C([C@@H]1[....
2 3KLL - MAL C12 H22 O11 C([C@@H]1[....
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 3HZ3 - SUC C12 H22 O11 C([C@@H]1[....
2 3KLL - MAL C12 H22 O11 C([C@@H]1[....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4TVD - GLC C6 H12 O6 C([C@@H]1[....
2 4TTU - GLC GLC n/a n/a
3 4TVC - GLC GLC GLC n/a n/a
4 3HZ3 - SUC C12 H22 O11 C([C@@H]1[....
5 3KLL - MAL C12 H22 O11 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MAL; Similar ligands found: 333
No: Ligand ECFP6 Tc MDL keys Tc
1 GLA GLA 1 1
2 GAL BGC 1 1
3 GLC GAL 1 1
4 BMA GAL 1 1
5 LBT 1 1
6 BGC GAL 1 1
7 CBI 1 1
8 MAL 1 1
9 CBK 1 1
10 BGC BMA 1 1
11 N9S 1 1
12 MAB 1 1
13 LAT 1 1
14 GLA GAL 1 1
15 B2G 1 1
16 BMA BMA BMA 0.909091 1
17 GLA GAL GLC 0.909091 1
18 GLC BGC BGC 0.909091 1
19 GLC BGC BGC BGC 0.909091 1
20 GLC GLC GLC GLC GLC 0.909091 1
21 CT3 0.909091 1
22 BGC GLC GLC GLC 0.909091 1
23 BGC BGC BGC BGC 0.909091 1
24 CTT 0.909091 1
25 CTR 0.909091 1
26 GLC GAL GAL 0.909091 1
27 MAN BMA BMA BMA BMA BMA 0.909091 1
28 BGC BGC BGC GLC 0.909091 1
29 CEY 0.909091 1
30 B4G 0.909091 1
31 BGC BGC BGC 0.909091 1
32 GLC GLC BGC 0.909091 1
33 CE5 0.909091 1
34 BGC BGC BGC BGC BGC BGC 0.909091 1
35 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.909091 1
36 BMA BMA BMA BMA BMA BMA 0.909091 1
37 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.909091 1
38 GLA GAL BGC 0.909091 1
39 MLR 0.909091 1
40 MAN BMA BMA 0.909091 1
41 BGC GLC GLC GLC GLC GLC GLC 0.909091 1
42 BMA BMA BMA BMA BMA 0.909091 1
43 BGC BGC GLC 0.909091 1
44 MAN MAN BMA BMA BMA BMA 0.909091 1
45 BGC GLC GLC 0.909091 1
46 BGC BGC BGC BGC BGC 0.909091 1
47 MT7 0.909091 1
48 GLC BGC BGC BGC BGC 0.909091 1
49 CE6 0.909091 1
50 MTT 0.909091 1
51 CE8 0.909091 1
52 MAN BMA BMA BMA BMA 0.909091 1
53 GLC BGC GLC 0.909091 1
54 DXI 0.909091 1
55 GLC BGC BGC BGC BGC BGC 0.909091 1
56 CEX 0.909091 1
57 GAL GAL GAL 0.909091 1
58 BMA MAN BMA 0.909091 1
59 BGC GLC GLC GLC GLC 0.909091 1
60 GLA GAL GAL 0.816327 1
61 BGC BGC BGC BGC BGC BGC BGC BGC 0.754717 1
62 BMA BMA GLA BMA BMA 0.689655 1
63 XYT 0.685185 0.767442
64 LAT GLA 0.680851 1
65 GLC GLC GLC BGC 0.672414 1
66 U63 0.647059 0.891892
67 MMA MAN 0.64 0.942857
68 DR5 0.64 0.942857
69 GLA EGA 0.634615 0.942857
70 GAL FUC 0.615385 0.941176
71 2M4 0.612245 1
72 BGC GAL FUC 0.610169 0.970588
73 FUC GAL GLC 0.610169 0.970588
74 8B7 0.610169 0.970588
75 GLC GAL FUC 0.610169 0.970588
76 LAT FUC 0.610169 0.970588
77 BGC GLA GAL FUC 0.609375 0.970588
78 BQZ 0.608696 0.909091
79 BGC GAL NAG GAL 0.606061 0.733333
80 GAL NAG GAL GLC 0.606061 0.733333
81 BMA BMA BMA BMA 0.603448 0.941176
82 M3M 0.6 1
83 LB2 0.6 1
84 NGR 0.6 1
85 MAN GLC 0.6 1
86 MAL EDO 0.592593 0.942857
87 BGC BGC BGC XYS GAL 0.588235 0.942857
88 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.588235 0.942857
89 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.588235 0.942857
90 BGC BGC BGC XYS BGC BGC 0.588235 0.942857
91 LAT NAG GAL 0.588235 0.733333
92 GLC GAL NAG GAL 0.588235 0.733333
93 NGA GAL BGC 0.587302 0.733333
94 TRE 0.581395 1
95 ABD 0.57971 0.75
96 NLC 0.578947 0.733333
97 NDG GAL 0.578947 0.733333
98 GAL NDG 0.578947 0.733333
99 5GO 0.578947 0.66
100 DEL 0.574074 0.970588
101 MVP 0.571429 0.733333
102 GAL NGA GLA BGC GAL 0.571429 0.733333
103 GAL BGC BGC XYS 0.569231 0.942857
104 SGA BGC 0.568965 0.66
105 BGC BGC 0.566038 0.914286
106 BMA BMA 0.566038 0.914286
107 GLC GLC XYP 0.557377 1
108 BGC BGC XYS BGC 0.552239 0.942857
109 NAG GAL BGC 0.552239 0.733333
110 GLA GAL BGC 5VQ 0.551724 0.891892
111 G2F BGC BGC BGC BGC BGC 0.55 0.868421
112 GLA MBG 0.54902 0.942857
113 GLC ACI G6D BGC 0.547945 0.733333
114 GLC G6D ACI GLC 0.547945 0.733333
115 GLC ACI GLD GLC 0.547945 0.733333
116 GLC G6D ADH GLC 0.547945 0.733333
117 GLC BGC BGC BGC BGC BGC BGC 0.545455 1
118 BGC BGC BGC GLC BGC BGC 0.545455 1
119 BMA BMA MAN 0.535714 1
120 MAN MAN BMA 0.535714 1
121 NGA GLA GAL BGC 0.535211 0.733333
122 GAL BGC BGC BGC XYS BGC XYS 0.533333 0.942857
123 BGC BGC BGC XYS BGC XYS GAL 0.533333 0.942857
124 BGC BGC BGC XYS BGC XYS XYS 0.528571 0.942857
125 BGC BGC XYS BGC XYS BGC XYS 0.528571 0.942857
126 GLC BGC BGC XYS BGC XYS XYS 0.528571 0.942857
127 BMA MAN MAN MAN 0.525424 1
128 GLA GAL GLC NBU 0.52459 0.846154
129 FUC BGC GAL 0.52459 0.970588
130 GLC GLC G6D ACI GLC GLC GLC 0.519481 0.733333
131 GLC ACI GLD GAL 0.519481 0.702128
132 GLC ACI G6D GLC 0.519481 0.702128
133 BGC BGC BGC FRU 0.516129 0.868421
134 DOM 0.509091 0.942857
135 G3I 0.507937 0.767442
136 LMU 0.507937 0.785714
137 DMU 0.507937 0.785714
138 UMQ 0.507937 0.785714
139 OXZ BGC BGC 0.507937 0.6875
140 G2I 0.507937 0.767442
141 LMT 0.507937 0.785714
142 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.506329 0.942857
143 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.506329 0.942857
144 GAL BGC BGC BGC XYS XYS 0.506329 0.942857
145 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.506329 0.942857
146 GLC BGC BGC XYS BGC XYS XYS GAL 0.506329 0.942857
147 FMO 0.5 0.868421
148 MAN BMA NAG 0.5 0.733333
149 SOR GLC GLC 0.5 0.970588
150 GLA GAL NAG 0.5 0.733333
151 8VZ 0.5 0.673469
152 ACR GLC GLC GLC 0.493827 0.702128
153 GLC GLC DAF BGC 0.493827 0.702128
154 GLC GLC ACI G6D GLC GLC 0.493827 0.702128
155 ARE 0.493827 0.733333
156 GLC GLC AGL HMC GLC 0.493827 0.702128
157 AAO 0.493827 0.733333
158 GLC GLC XYS 0.492308 0.970588
159 MAN BMA MAN 0.491803 1
160 CGC 0.491525 0.941176
161 5QP 0.491228 0.885714
162 GAL MBG 0.490909 0.942857
163 MDM 0.490909 0.942857
164 RZM 0.490909 0.688889
165 M13 0.490909 0.942857
166 GAL NAG MAN 0.485294 0.733333
167 SOR GLC GLC GLC 0.484848 0.970588
168 GLO GLC GLC GLC 0.484848 0.970588
169 6UZ 0.484848 0.846154
170 LAG 0.484848 0.6
171 GAL BGC NAG GAL 0.478873 0.733333
172 GTM BGC BGC 0.477612 0.868421
173 10M 0.477612 0.733333
174 MAN MAN MAN MAN 0.476923 1
175 MAN MAN BMA MAN 0.476923 1
176 GLA GAL NAG FUC GAL GLC 0.47619 0.717391
177 GAL GAL SO4 0.47619 0.66
178 NAG BMA 0.47619 0.653061
179 GAL NGA 0.47541 0.733333
180 A2G GAL 0.47541 0.733333
181 GAL A2G 0.47541 0.733333
182 GLA BMA 0.472727 1
183 GLC BGC 0.472727 1
184 GAL GAL 0.472727 1
185 GLA GLC 0.472727 1
186 BGC GLA 0.472727 1
187 GAL GLC 0.472727 1
188 GLA BGC 0.472727 1
189 BMA GLA 0.472727 1
190 BMA MAN 0.472727 1
191 MAN MAN 0.472727 1
192 BGC GLC 0.472727 1
193 MLB 0.472727 1
194 GLC GLC 0.472727 1
195 MAN BMA 0.472727 1
196 LAK 0.472727 1
197 NPJ 0.470588 0.622642
198 FUC GAL NAG GAL BGC 0.469136 0.717391
199 GAL GLC NAG GAL FUC 0.469136 0.717391
200 GLC NAG GAL GAL FUC 0.469136 0.717391
201 MAN MAN MAN GLC 0.46875 1
202 ABL 0.466667 0.702128
203 FRU GAL 0.465517 0.842105
204 BMA FRU 0.465517 0.842105
205 DAF BGC 0.464789 0.733333
206 DAF GLC 0.464789 0.733333
207 TM6 0.463768 0.916667
208 BGC SGC BGC SGC BGC SGC BGC SGC 0.463768 0.916667
209 LSE 0.462687 0.6875
210 FUC GLA GLA 0.460317 0.970588
211 GAL GAL FUC 0.460317 0.970588
212 FUC GAL GLA 0.460317 0.970588
213 GLA GLA FUC 0.460317 0.970588
214 GLA GAL FUC 0.460317 0.970588
215 IFM BMA 0.457627 0.711111
216 9MR 0.457627 0.744186
217 IFM BGC 0.457627 0.711111
218 BMA IFM 0.457627 0.711111
219 BGC OXZ 0.457627 0.666667
220 RCB 0.457143 0.622642
221 GLO GLC GLC 0.457143 0.942857
222 MAN MAN MAN 0.45614 1
223 GLC GLC GLC GLC BGC 0.45614 1
224 GLC GLC GLC GLC GLC BGC 0.45614 1
225 BMA MAN MAN 0.45614 1
226 GLC GLC GLC 0.45614 1
227 WOO 0.454545 0.848485
228 GIV 0.454545 0.848485
229 BGC 0.454545 0.848485
230 ALL 0.454545 0.848485
231 GAL 0.454545 0.848485
232 GLA 0.454545 0.848485
233 GLC 0.454545 0.848485
234 GXL 0.454545 0.848485
235 BMA 0.454545 0.848485
236 MAN 0.454545 0.848485
237 ACI GLD GLC GAL 0.453333 0.733333
238 DAF BGC GLC 0.453333 0.733333
239 DAF GLC GLC 0.453333 0.733333
240 MGL SGC BGC BGC 0.450704 0.868421
241 MGL SGC GLC GLC 0.450704 0.868421
242 CM5 0.450704 0.891892
243 MAN MAN MAN BMA MAN 0.450704 1
244 BGC BGC SGC MGL 0.450704 0.868421
245 MAN MNM 0.45 0.702128
246 GLC DMJ 0.45 0.695652
247 A2G GAL BGC FUC 0.45 0.717391
248 NOJ GLC 0.45 0.695652
249 NOY BGC 0.45 0.702128
250 BMA MAN MAN MAN MAN 0.449275 1
251 GCS GCS 0.448276 0.767442
252 PA1 GCS 0.448276 0.767442
253 M5S 0.447761 1
254 MAN BMA MAN MAN MAN 0.447761 1
255 TXT 0.447368 0.767442
256 GAC 0.447368 0.767442
257 GLC GAL NAG GAL FUC FUC 0.447059 0.702128
258 BGC GAL NAG GAL FUC FUC 0.447059 0.702128
259 GAL NAG GAL NAG GAL NAG 0.445946 0.673469
260 NAG GAL GAL NAG GAL 0.445946 0.6875
261 NAG GAL GAL NAG 0.445946 0.6875
262 MA4 0.444444 0.891892
263 QV4 0.444444 0.733333
264 MAN DGO 0.440678 0.914286
265 3SA 0.44 0.733333
266 Z6J 0.439024 0.742857
267 GLC GLC GLC PO4 SGC GLC 0.439024 0.66
268 AHR 0.439024 0.742857
269 RIB 0.439024 0.742857
270 FUB 0.439024 0.742857
271 32O 0.439024 0.742857
272 T6P 0.438596 0.767442
273 MMA 0.4375 0.857143
274 MBG 0.4375 0.857143
275 GYP 0.4375 0.857143
276 AMG 0.4375 0.857143
277 MAN G63 0.435484 0.653061
278 GDQ GLC 0.435484 0.666667
279 4MU BGC BGC 0.434211 0.767442
280 ISX 0.433333 0.761905
281 MAN 7D1 0.431034 0.888889
282 ACR 0.43038 0.733333
283 QPS 0.43038 0.733333
284 GAL MGC 0.428571 0.702128
285 4MU BGC BGC BGC BGC 0.428571 0.767442
286 GAL NDG FUC 0.422535 0.717391
287 FUC NDG GAL 0.422535 0.717391
288 HMC AGL GLC 0.421053 0.717391
289 KHO 0.421053 0.888889
290 GCS GCS GCS 0.419355 0.767442
291 GCS GCS GCS GCS GCS 0.419355 0.767442
292 GCS GCS GCS GCS GCS GCS 0.419355 0.767442
293 GAL NAG GAL 0.418919 0.702128
294 NGT GAL 0.41791 0.66
295 GAL NGT 0.41791 0.66
296 P3M 0.41791 0.767442
297 GLC GAL NAG GAL FUC A2G 0.417582 0.673469
298 A2G GAL NAG FUC GAL GLC 0.417582 0.673469
299 TUR 0.416667 0.842105
300 BTU 0.416667 0.842105
301 GLC FRU 0.416667 0.842105
302 GLA MAN ABE 0.414286 0.916667
303 NAG NAG BMA 0.413333 0.634615
304 NAG NDG BMA 0.413333 0.634615
305 ACR GLC GLC GLC GLC 0.4125 0.702128
306 ACR GLC 0.4125 0.702128
307 AHR AHR AHR AHR AHR AHR 0.410714 0.857143
308 FUB AHR AHR 0.410714 0.857143
309 VAM 0.409836 0.868421
310 GLF B8D 0.409836 0.775
311 DAF GLC DAF GLC GLC 0.409639 0.702128
312 ACI GLD GLC ACI G6D BGC 0.409639 0.702128
313 AC1 GLC AC1 BGC 0.409639 0.702128
314 ACI G6D GLC ACI G6D BGC 0.409639 0.702128
315 BGC GLC AC1 GLC GLC GLC AC1 0.409639 0.702128
316 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.409639 0.702128
317 MAN MMA MAN 0.409091 0.942857
318 FUB AHR 0.407407 0.857143
319 AHR AHR 0.407407 0.857143
320 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.406977 0.653061
321 4U0 0.406593 0.66
322 BGC BGC SSG PIH 0.405063 0.767442
323 GLA MAN RAM ABE 0.405063 0.891892
324 G1P 0.403846 0.697674
325 GL1 0.403846 0.697674
326 XGP 0.403846 0.697674
327 M1P 0.403846 0.697674
328 GLC IFM 0.403226 0.727273
329 MAN IFM 0.403226 0.727273
330 MAN MAN MAN MAN MAN MAN MAN 0.402597 1
331 XZZ BGC BGC 0.402439 0.702128
332 ACG 0.402299 0.695652
333 FUC GAL 0.4 0.941176
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3KLL; Ligand: MAL; Similar sites found with APoc: 231
This union binding pocket(no: 1) in the query (biounit: 3kll.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 4CQK PIO None
2 6C1S EFV 1.13285
3 2VBF TPP 1.40351
4 1ZPD DPX 1.40845
5 1OZH HE3 1.41343
6 5H68 AGS 1.47059
7 3TY5 ADP 1.69492
8 1IT7 GUN 1.71821
9 5UCD NAP 1.75055
10 4U31 MVP 1.75695
11 4EIL UMP 1.76678
12 5OGX FAD 1.78571
13 4IE6 UN9 1.81818
14 1LVK MNT BEF 1.9685
15 2BMB PMM 2.01835
16 2Q7D ANP 2.02312
17 4XGU ADP 2.12264
18 1PG4 PRX 2.14724
19 1PG4 COA 2.14724
20 5C4L 4XR 2.18069
21 4U98 ACP 2.20264
22 4D5G FAD 2.20713
23 4D5G TPP 2.20713
24 4R98 GNH 2.21402
25 3QO8 SSA 2.26804
26 2NP9 YE1 2.27273
27 5TH5 7C5 2.28137
28 1QPB PYM 2.30906
29 1QPB TPP 2.30906
30 3BIY 01K 2.36842
31 1CKM GTP 2.42424
32 3AKK ADP 2.46154
33 2VK4 TPP 2.48668
34 3DNT ATP 2.5
35 3TPV ADE 2.5
36 3VSV XYS 2.50784
37 5OA6 9PT 2.52252
38 3X01 AMP 2.54453
39 8CAT NDP 2.56917
40 6CGD GNP 2.62295
41 6CGD AKN 2.62295
42 1DUB CAA 2.68199
43 1JQ3 AAT 2.7027
44 5WUK 73K 2.73224
45 4JOB TLA 2.77778
46 1OLT SAM 2.84464
47 1TZD ADP 2.90909
48 5C3R AKG 2.91545
49 5C3R HMU 2.91545
50 2IV2 2MD 2.93706
51 6EJI UD2 2.94906
52 4PZ6 GMP 2.97767
53 2NXW TPP 3.00885
54 1W2D ADP 3.01887
55 1W2D 4IP 3.01887
56 4XYM A12 3.07988
57 4PU5 ANP 3.09051
58 5FEU NAP 3.09278
59 4B7H NDP 3.1068
60 1FP6 ADP 3.11419
61 3T7V SAM 3.14286
62 3KJI ADP 3.14961
63 1S7G APR 3.16206
64 2H6T IVA VAL VAL STA ALA STA 3.23529
65 5DY5 5GR 3.28947
66 1K97 ASP 3.2967
67 1K97 CIR 3.2967
68 2V1O COA 3.31126
69 4MOB COA 3.31325
70 2Q4H AMP 3.4188
71 2EW1 GNP 3.48259
72 4UWH JXM 3.49418
73 5FFF NAP 3.50195
74 4ZSI 4R1 3.50877
75 2I7C AAT 3.53357
76 5XDT GDP 3.57143
77 5XDT MB3 3.57143
78 5GXU FAD 3.59375
79 1ON3 MCA 3.63289
80 1GP6 SIN 3.65169
81 1GP6 QUE 3.65169
82 1GP6 DH2 3.65169
83 1D2N ANP 3.67647
84 4IX4 ADP 3.71429
85 5ETR APC 3.72671
86 5ETR 5RW 3.72671
87 1V5F TPP 3.73514
88 1V5F FAD 3.73514
89 1CBK ROI 3.75
90 4WZA ADP 3.77358
91 4WZA ACP 3.77358
92 2AQX ATP 3.80623
93 4N9I PCG 3.80952
94 5COU ATP 3.82353
95 4ARU TLA 3.87409
96 4E03 ADP 3.8835
97 3FSY SCA 3.91566
98 1OBD ATP 3.92157
99 4ZDC CO8 4
100 1LCK GLU GLY GLN PTR GLN PRO GLN PRO ALA 4
101 5FI4 5XV 4.02477
102 5THQ NDP 4.04412
103 3PN1 IVH 4.08805
104 3V4S ATP 4.13437
105 6E8I PTR 4.14201
106 3PE2 E1B 4.1543
107 1SG4 CO8 4.23077
108 4CS9 AMP 4.2328
109 1JG3 ADN 4.25532
110 5IBE 69M 4.29293
111 4IEN COA 4.29448
112 5LRT ADP 4.33071
113 4NJH 2K8 4.34783
114 4NJH SAM 4.34783
115 4C5N ACP 4.34783
116 4CC6 L5Y 4.40252
117 1OPK P16 4.44444
118 5Y5Q DUT 4.5977
119 5GWT SIN 4.67626
120 5GWT NAD 4.67626
121 2RCN GDP 4.7486
122 3EZ2 ADP 4.77387
123 5KOR GDP 4.79846
124 3LL5 ADP 4.81928
125 4UUW AMP 4.82234
126 8CGT TM6 4.82456
127 5MW8 ATP 4.88323
128 4XBA 5GP 5
129 4XBA GMP 5
130 5O74 GDP 5
131 1GS5 NLG 5.03876
132 1GS5 ANP 5.03876
133 3AFN NAP 5.03876
134 1TMM APC 5.06329
135 1TMM HHR 5.06329
136 4JGP PYR 5.06912
137 3NKV GNP 5.14286
138 3KAL ADP 5.21042
139 1YQC GLV 5.29412
140 5W19 9TD 5.35332
141 4RT1 C2E 5.35714
142 3N6M GTP 5.41126
143 5UXH GFB 5.44959
144 2VSU ACO 5.45455
145 2IF8 ADP 5.50964
146 3TAY MN0 5.52147
147 1O44 852 5.55556
148 3ORQ ADP 5.57029
149 2VQD AP2 5.60345
150 3N17 NAG NAG 5.70571
151 3HNA SAH 5.92335
152 5CDH TLA 5.95238
153 2RFI SAH 5.96491
154 3NRR UMP 6.01942
155 3NRR D16 6.01942
156 5XLY C2E 6.04982
157 3UDZ ADP 6.08519
158 3H78 BE2 6.12813
159 2YW2 ATP 6.13208
160 4INI AMP 6.15385
161 1SQL GUN 6.16438
162 5WA9 9ZD 6.20155
163 4I42 1HA 6.31579
164 4OCJ NDG 6.33245
165 5TT6 ATP 6.34518
166 1AV5 AP2 6.34921
167 6FL8 ADP 6.38298
168 6FL8 TIY 6.38298
169 5O1I 9GH 6.39269
170 5KY4 GDP 6.47887
171 5TUZ 7L6 6.51341
172 5TUZ SAM 6.51341
173 4NVQ SAH 6.66667
174 4NVQ 2OD 6.66667
175 4ZA2 NAD 6.71937
176 5T0K SAM 6.76157
177 3FW3 ETS 6.76692
178 3FW3 GLC 6.76692
179 4CQM NAP 6.89655
180 4WUP 3UF 6.92308
181 1T36 ADP 6.92974
182 5JIY SAM 6.93431
183 5RHN 8BR 6.95652
184 1U7Z PMT 7.07965
185 2WOX NDP 7.15746
186 5KY3 GFB 7.5
187 1NBU PH2 7.56302
188 3GJ4 GDP 7.69231
189 3GJ8 GDP 7.69231
190 4K39 SAM 8.10811
191 4BNU 9KQ 8.17844
192 3MMG GLU THR VAL ARG PHE GLN SER ASP 8.29876
193 4O4F ATP 8.46774
194 4O4F IHP 8.46774
195 3VX3 ADP 8.46774
196 4RJK TPP 8.58144
197 4RJK TDL 8.58144
198 1WUR 8DG 8.63636
199 4B63 NAP 8.78244
200 4B63 ORN 8.78244
201 4B63 FAD 8.78244
202 1S68 AMP 9.23695
203 4LO2 GAL BGC 9.45946
204 4QIJ 1HA 9.58084
205 4S1B 2BA 9.90991
206 5BXQ GDP 10.2362
207 4FGC PQ0 10.303
208 3A4V NAD 10.7256
209 3A4V PYR 10.7256
210 3N1S 5GP 10.9244
211 2PAR TMP 10.9453
212 2QX0 PH2 11.3208
213 3ZQ6 ADP ALF 11.4198
214 4IPH 1FJ 12.1951
215 1JBU BEN 12.6984
216 4I4Z 2NE 13.0909
217 3CH5 GDP 13.4615
218 5T52 A2G 13.6364
219 5T52 NGA 13.6364
220 1AXW UMP 14.3396
221 4ISK UMP 14.3939
222 5SZH GNP 15.0327
223 5HPZ 68G 15.6425
224 1YRB GDP 15.6489
225 3GJ7 GDP 16.3265
226 3GJ5 GDP 17.6471
227 3GE7 AFQ 18.1347
228 4K49 HFQ 18.3824
229 5AVF TAU 19.8444
230 3IWD M2T 22.5806
231 4K38 SAM 27.7778
232 3SWC SAH 50
Pocket No.: 2; Query (leader) PDB : 3KLL; Ligand: MAL; Similar sites found with APoc: 89
This union binding pocket(no: 2) in the query (biounit: 3kll.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 4HA6 FAD 0.984252
2 1PS9 FMN 1.19225
3 4MOP 2H5 1.26382
4 5X7Q GLC GLC 1.53994
5 5X7Q GLC 1.53994
6 3IHG FAD 1.68224
7 2C5S AMP 1.69492
8 1XF1 CIT 1.72786
9 3HQP FDP 1.80361
10 3DRG ARG PRO PRO GLY PHE SER PRO PHE ALA 1.86441
11 2FV5 541 1.91571
12 1KUK PCA LYS TRP 1.97044
13 2ZTS ADP 1.99203
14 3A1I UNU 2.11132
15 1VHD NAP 2.15633
16 2POC UD1 2.17984
17 4OOE FOM 2.22772
18 4OOE NDP 2.22772
19 3FVQ ATP 2.22841
20 5VYQ FON 2.35294
21 3ETG GLU 2.39521
22 3ETG NDP 2.39521
23 1JGT CMA 2.53411
24 6CZF G4P 2.61044
25 2VHJ ADP 2.71903
26 1GTE FAD 2.73171
27 5I7A 68Q 2.76074
28 4V3C C 2.79115
29 6B2M COA 2.7972
30 1RP0 AHZ 2.8169
31 5DEY 59T 3.0303
32 6BLD DXJ 3.10263
33 6DAW ARG 3.21637
34 3G6K FAD 3.24675
35 3G6K POP 3.24675
36 2VJM COA 3.36862
37 5ZBL AMP 3.44828
38 4R84 CSF 3.57853
39 3RSR N5P 3.94144
40 4FMS BDP 4.03023
41 5DF1 NAP 4.07609
42 5DF1 58X 4.07609
43 1XNK XS2 4.08163
44 2GZ3 NAP 4.09836
45 4DPL NAP 4.17827
46 4JP3 CIT 4.1841
47 4HK8 XYP XYP XYP XYP XYP XYP 4.2328
48 4L8V NAP 4.45104
49 1SOW NAD 4.57317
50 2BLN U5P 4.59016
51 3EVF GTA 4.69314
52 4O4K 2PK 4.7619
53 3LL5 IPE 4.81928
54 5WS9 AMP 4.84211
55 154L NAG NAG NAG 4.86486
56 1D4O NAP 4.8913
57 4GLW NMN 4.91803
58 4IXH Q21 4.98615
59 4R5M 4NO 5.05319
60 4R5M NAP 5.05319
61 3HWW AKG 5.21583
62 5F1V 3VN 5.38721
63 4HEQ FMN 5.47945
64 4TL6 ANP 5.5336
65 5B3A 0JO 5.65553
66 1RV0 NDG 5.79268
67 2NU8 COA 5.90278
68 4B7P 9UN 6.08696
69 3HNB 768 6.28931
70 2QHD DAO 6.55738
71 5A04 BGC 7.07965
72 5A04 NDP 7.07965
73 1W5F G2P 7.08215
74 4KCT FDP 7.41483
75 4ZEI LAO 7.61523
76 3QUR ADP 7.69231
77 3QUR FM4 7.69231
78 4RLQ 3SK 7.70713
79 2PV7 NAD 7.71812
80 1PJS NAD 7.87746
81 5GSN NAP 7.94702
82 1NXJ TLA 8.19672
83 4YFY 1YJ 9.84252
84 2AKO ADP 9.96016
85 5IF4 6AK 10.0629
86 1SBR VIB 10.5
87 4OXX FMN 11.1111
88 2W24 LYS 12.6667
89 4WNB 4BN 28.6822
Pocket No.: 3; Query (leader) PDB : 3KLL; Ligand: MAL; Similar sites found with APoc: 45
This union binding pocket(no: 3) in the query (biounit: 3kll.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 3UER TUR 1.52672
2 3UER BTU 1.52672
3 1VB9 GLC GLC GLC GLC GLC GLC 1.53846
4 5ZCE MTT 1.8018
5 6A0J GLC GLC GLC GLC 2.12314
6 2GDV BGC 2.18254
7 2CXG GLC G6D ACI GLC 2.33236
8 1G94 DAF GLC DAF GLC GLC 2.67857
9 1UH4 GLC GLC GLC 2.82575
10 2D24 XYS XYS 2.98165
11 4DDY DN6 3.04183
12 6BS6 GLC GLC GLC GLC GLC GLC GLC 3.28358
13 3EDF ACX 3.66057
14 3EDF CE6 3.66057
15 3CZG GLC 3.72671
16 3BMW GLC GLC G6D ACI GLC GLC GLC 3.80674
17 4AVV CD 3.92157
18 4AVV GHE 3.92157
19 1QHO ABD 4.08163
20 3VM7 GLC 4.47154
21 3WY2 BGC 4.64684
22 5GQI CTP 4.8583
23 5YRI GLC GLC 4.92958
24 1J0I GLC GLC GLC 5.10204
25 1JDC GLC GLC GLC GLC 5.36131
26 4HPH SUC 5.72451
27 3GBE NOJ 5.73477
28 5DO8 BGC 5.76577
29 2ZID GLC GLC GLC 5.89319
30 2PWG CTS 5.93525
31 3AXI GLC 6.11205
32 5WCZ NOJ 6.82594
33 1UKQ GLC ACI G6D GLC 7.12223
34 5A2B MAL 7.24346
35 1LWJ ACG 7.25624
36 1UA7 ACI GLD GLC ACI G6D BGC 7.81991
37 1LR8 IHS 8.10811
38 4E2O ACI G6D GLC ACI G6D BGC 8.14978
39 1U4J MAN 8.47458
40 2D3N GLC GLC GLC GLC 10.4909
41 2D3N GLC GLC GLC GLC GLC GLC 10.4909
42 2D3N GLC 10.4909
43 1T0S BML 12.7907
44 4YEF 4CQ 17.9775
45 4M1U A2G MBG 21.4286
Pocket No.: 4; Query (leader) PDB : 3KLL; Ligand: MAL; Similar sites found with APoc: 21
This union binding pocket(no: 4) in the query (biounit: 3kll.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 4S3R 7SA 1.00575
2 2FHF GLC GLC GLC GLC 1.2512
3 1SW1 PBE 2.90909
4 6BS6 GLC GLC GLC GLC 3.28358
5 4A2B AGS 4.05728
6 4A2A ATP 4.05728
7 1ESW ACR 4.4
8 2UYT ADP 5.11247
9 2UYT LRH 5.11247
10 1PIG AGL GLC HMC AGL GLC BGC 5.64516
11 1EWF PC1 5.70175
12 1JG9 GLC 5.73248
13 5CPS GLC GLC GLC GLC GLC GLC GLC GLC 6.20567
14 4XIZ LPP 7.14286
15 4W93 3L9 9.67742
16 2GJP BGC GLC DAF GLC GLC GLC DAF 9.91338
17 2J5B TYE 10.9195
18 3BC9 G6D GLC ACI GLD GLC ACI GLD GLC BGC 11.9346
19 2IYG FMN 12.9032
20 1KNM LAT 19.2308
21 1E3Z ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC 22.5673
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