Receptor
PDB id Resolution Class Description Source Keywords
2IMP 2.1 Å EC: 1.2.1.21 CRYSTAL STRUCTURE OF LACTALDEHYDE DEHYDROGENASE FROM E. COLI TERNARY COMPLEX WITH LACTATE (OCCUPANCY 0.5) AND NADH. CRYSS OAKED WITH (L)-LACTATE. ESCHERICHIA COLI PROTEIN-LACTATE-NADH TERNARY COMPLEX OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF LACTALDEHYDE DEHYDROGENASE FRO ESCHERICHIA COLI AND INFERENCES REGARDING SUBSTRATE COFACTOR SPECIFICITY. J.MOL.BIOL. V. 366 481 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LAC A:508;
Valid;
none;
submit data
90.078 C3 H6 O3 C[C@H...
NAI A:506;
Valid;
none;
submit data
665.441 C21 H29 N7 O14 P2 c1nc(...
SO4 A:509;
A:510;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2IMP 2.1 Å EC: 1.2.1.21 CRYSTAL STRUCTURE OF LACTALDEHYDE DEHYDROGENASE FROM E. COLI TERNARY COMPLEX WITH LACTATE (OCCUPANCY 0.5) AND NADH. CRYSS OAKED WITH (L)-LACTATE. ESCHERICHIA COLI PROTEIN-LACTATE-NADH TERNARY COMPLEX OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF LACTALDEHYDE DEHYDROGENASE FRO ESCHERICHIA COLI AND INFERENCES REGARDING SUBSTRATE COFACTOR SPECIFICITY. J.MOL.BIOL. V. 366 481 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2IMP - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2IMP - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
50% Homology Family (73)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5AC1 - TXE C21 H31 N7 O14 P2 c1nc(c2c(n....
2 5L2O ic50 = 0.76 uM 6ZW C14 H17 N O2 CCN(CC)c1c....
3 6DUM ic50 = 0.08 uM A5Y C21 H17 F N4 O2 S c1ccc(cc1)....
4 7JWW ic50 = 0.36 uM VMG C22 H22 N4 O2 S C[C@H](c1c....
5 5L2N ic50 = 2.8 uM 6ZU C18 H16 O5 S CC1=C(C(=O....
6 1BXS - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 5ABM - TXE C21 H31 N7 O14 P2 c1nc(c2c(n....
8 7JWV ic50 = 0.6 uM VMJ C21 H20 N4 O2 S C[C@H](c1c....
9 7JWU ic50 = 0.242 uM VMA C19 H17 N5 O S C[C@H](c1c....
10 7JWS ic50 = 0.13 uM VLY C20 H18 N4 O S C[C@H](c1c....
11 5L2M Ki = 170 nM 6ZY C22 H25 N O4 Cc1c(oc2c1....
12 4X4L ic50 = 4.6 uM 3XG C21 H25 N3 O3 S2 CCOC(=O)CS....
13 5AC0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
14 7JWT ic50 = 0.13 uM VM4 C20 H18 N4 O2 S C[C@H](c1c....
15 4WP7 ic50 = 0.8 uM 3SR C22 H30 N6 O4 CC(C)CCn1c....
16 4WB9 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
17 4WPN ic50 = 0.21 uM 3ST C19 H30 N6 O3 CC(C)CCn1c....
18 5AC2 - TXE C21 H31 N7 O14 P2 c1nc(c2c(n....
19 4I9B - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
20 4I3X - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
21 6J76 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
22 5N5S Kd = 31 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
23 6VR6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 4PZ2 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
25 2ID2 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
26 1WNB - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
27 3IWK - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
28 4A0M - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
29 4GNZ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
30 3RHR Kd = 5.7 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
31 3RHJ Kd = 0.0073 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
32 4GO2 - TAP C21 H28 N7 O16 P3 S c1cc(c[n+]....
33 2O2R - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
34 3RHL - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
35 3RHO Kd = 0.26 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
36 3RHQ Kd = 9.2 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
37 2O2Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
38 3JZ4 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
39 1O01 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
40 2ONM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
41 2VLE - DZN C21 H20 O9 c1cc(ccc1C....
42 3INL - BXB C15 H11 Cl2 N O3 c1cc(c(c(c....
43 3SZ9 - I3E C11 H14 O CCc1ccc(cc....
44 4FR8 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
45 1O04 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
46 3INJ - BXB C15 H11 Cl2 N O3 c1cc(c(c(c....
47 2ONP - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
48 1O02 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
49 5L13 Ki = 19 nM 6ZE C17 H18 O3 CCCC1=C(c2....
50 1NZX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
51 4KWG Ki = 1 uM 2AK C9 H6 Br N O2 Cc1cc2c(c(....
52 4KWF Ki = 15 uM 3AK C15 H11 N O2 c1ccc(cc1)....
53 4FQF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
54 1NZZ - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
55 5X5U - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
56 2W8Q - SIN C4 H6 O4 C(CC(=O)O)....
57 2W8R - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
58 1UXT - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
59 1UXV - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
60 1UXR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
61 1UXQ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
62 2IMP - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
63 3ZQA - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
64 2WOX - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
65 5IUW - IAC C10 H9 N O2 c1ccc2c(c1....
66 5IUV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
67 1O9J - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
68 4I8P - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
69 3IWJ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70 1T90 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
71 6ALJ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
72 6B5G Kd = 0.26 uM CQY C21 H26 N4 O4 S CCOc1ccsc1....
73 6B5H Kd = 1.1 uM CU4 C24 H17 F N4 O3 S CS(=O)(=O)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: LAC; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 2OP 1 1
2 LAC 1 1
3 HBR 0.6 0.615385
4 HBS 0.6 0.615385
5 2RH 0.5 0.631579
6 SRT 0.5 0.611111
7 TAR 0.5 0.611111
8 TLA 0.5 0.611111
9 IPM 0.47619 0.631579
10 KIV 0.444444 0.625
11 LFC 0.434783 0.8
12 WTZ 0.428571 0.631579
13 23B 0.428571 0.631579
14 QFH 0.428571 0.631579
15 LGT 0.421053 0.611111
16 GAE 0.421053 0.611111
17 RAT 0.421053 0.611111
18 3LR 0.4 0.6
Ligand no: 2; Ligand: NAI; Similar ligands found: 287
No: Ligand ECFP6 Tc MDL keys Tc
1 NAI 1 1
2 0WD 0.814815 0.986842
3 NDP 0.803738 0.986842
4 AP0 0.743119 0.961039
5 NMN AMP PO4 0.704348 0.960526
6 NAX 0.663717 0.961538
7 A2D 0.659574 0.933333
8 80F 0.65 0.925926
9 6V0 0.649123 0.986842
10 TXE 0.62931 0.948052
11 BA3 0.628866 0.933333
12 AP5 0.622449 0.933333
13 B4P 0.622449 0.933333
14 TXD 0.62069 0.923077
15 APR 0.613861 0.907895
16 AR6 0.613861 0.907895
17 EAD 0.609375 0.961538
18 AGS 0.607843 0.8625
19 ADP 0.606061 0.907895
20 50T 0.60396 0.871795
21 ATP 0.60396 0.907895
22 HEJ 0.60396 0.907895
23 AT4 0.6 0.873418
24 AN2 0.6 0.896104
25 A22 0.598131 0.921053
26 5FA 0.598039 0.907895
27 AQP 0.598039 0.907895
28 CA0 0.594059 0.909091
29 M33 0.594059 0.896104
30 AD9 0.592233 0.884615
31 NAJ PZO 0.592 0.935897
32 P1H 0.590909 0.9375
33 ACP 0.588235 0.884615
34 KG4 0.588235 0.909091
35 4AD 0.587156 0.886076
36 A1R 0.587156 0.851852
37 PRX 0.582524 0.8375
38 ANP 0.580952 0.884615
39 3OD 0.580357 0.909091
40 SRP 0.579439 0.873418
41 ADX 0.578431 0.821429
42 OAD 0.576577 0.909091
43 5AL 0.575472 0.896104
44 HQG 0.574074 0.896104
45 NAJ PYZ 0.573643 0.890244
46 A3R 0.572727 0.851852
47 ADJ 0.569106 0.890244
48 8LQ 0.568807 0.873418
49 UP5 0.566667 0.960526
50 ACQ 0.566038 0.884615
51 8LH 0.564815 0.873418
52 9X8 0.5625 0.8625
53 A 0.561224 0.881579
54 AMP 0.561224 0.881579
55 8LE 0.560748 0.8625
56 ATF 0.555556 0.873418
57 QA7 0.554545 0.8625
58 JNT 0.553571 0.884615
59 6YZ 0.550459 0.884615
60 8QN 0.54955 0.896104
61 25L 0.547826 0.921053
62 4TC 0.544715 0.935897
63 AMO 0.544643 0.897436
64 ADQ 0.544643 0.909091
65 PAJ 0.544643 0.853659
66 ABM 0.544554 0.858974
67 45A 0.544554 0.858974
68 NPW 0.544 0.949367
69 LAD 0.54386 0.831325
70 PR8 0.54386 0.821429
71 WAQ 0.54386 0.851852
72 DQV 0.541667 0.946667
73 DG1 0.541353 0.986842
74 1DG 0.541353 0.986842
75 AMP MG 0.54 0.868421
76 00A 0.539823 0.875
77 NZQ 0.539683 0.974026
78 1ZZ 0.53913 0.811765
79 BIS 0.53913 0.851852
80 APC 0.537736 0.873418
81 OMR 0.536585 0.823529
82 25A 0.535714 0.907895
83 5SV 0.535714 0.797619
84 OOB 0.535714 0.921053
85 3UK 0.535088 0.909091
86 A12 0.533981 0.873418
87 AP2 0.533981 0.873418
88 B5V 0.530435 0.897436
89 DND 0.528455 0.922078
90 CNA 0.527559 0.922078
91 AHX 0.526316 0.864198
92 DLL 0.526316 0.921053
93 NB8 0.525862 0.864198
94 ME8 0.525862 0.811765
95 PTJ 0.525862 0.841463
96 FYA 0.525862 0.871795
97 KMQ 0.525424 0.897436
98 B5M 0.525424 0.886076
99 SRA 0.524752 0.8375
100 ADP MG 0.52381 0.881579
101 ADP BEF 0.52381 0.881579
102 SON 0.52381 0.873418
103 TAT 0.522936 0.873418
104 T99 0.522936 0.873418
105 OZV 0.522124 0.907895
106 YLP 0.520325 0.793103
107 48N 0.520325 0.864198
108 L3W 0.52 0.973333
109 YLB 0.52 0.793103
110 AU1 0.518868 0.884615
111 ADP PO3 0.518519 0.881579
112 ATP MG 0.518519 0.881579
113 V2G 0.518182 0.841463
114 9SN 0.516949 0.864198
115 BEF ADP 0.513761 0.858974
116 DAL AMP 0.513274 0.871795
117 TXA 0.512821 0.897436
118 FA5 0.512605 0.897436
119 B5Y 0.512605 0.886076
120 GAP 0.509091 0.860759
121 9ZA 0.508772 0.851852
122 9ZD 0.508772 0.851852
123 4UU 0.508197 0.960526
124 YLC 0.507937 0.833333
125 T5A 0.507812 0.925926
126 RBY 0.504587 0.873418
127 APC MG 0.504587 0.858974
128 ADV 0.504587 0.873418
129 4UW 0.504 0.924051
130 TXP 0.503876 0.911392
131 VO4 ADP 0.5 0.860759
132 LAQ 0.5 0.811765
133 TYM 0.5 0.897436
134 G3A 0.5 0.8875
135 F2R 0.5 0.813953
136 ANP MG 0.5 0.871795
137 ALF ADP 0.5 0.817073
138 COD 0.496183 0.786517
139 YLA 0.496124 0.813953
140 139 0.496124 0.9125
141 AFH 0.495935 0.853659
142 G5P 0.495935 0.8875
143 XAH 0.495868 0.811765
144 BT5 0.492424 0.784091
145 AYB 0.492308 0.784091
146 A4P 0.492188 0.880952
147 GTA 0.491935 0.855422
148 4UV 0.491803 0.960526
149 A2R 0.491228 0.896104
150 MAP 0.486957 0.8625
151 XNP 0.484848 0.936709
152 NAD 0.484848 0.921053
153 UPA 0.484375 0.948052
154 7MD 0.483871 0.833333
155 ARG AMP 0.483871 0.781609
156 MYR AMP 0.483333 0.790698
157 NA7 0.483051 0.873418
158 YLY 0.477941 0.784091
159 ATR 0.477477 0.881579
160 ALF ADP 3PG 0.476562 0.809524
161 AOC 0.47619 0.792208
162 ATP A 0.47541 0.894737
163 ATP A A A 0.47541 0.894737
164 BTX 0.473684 0.793103
165 NDP DTT 0.472222 0.902439
166 5AS 0.472222 0.736264
167 GA7 0.472 0.873418
168 LMS 0.471154 0.77907
169 NAQ 0.471014 0.864198
170 LEU LMS 0.470588 0.709677
171 ADP BMA 0.470588 0.884615
172 N0B 0.467626 0.835294
173 A3D 0.466667 0.909091
174 NJP 0.466165 0.910256
175 IOT 0.465649 0.784091
176 AF3 ADP 3PG 0.465116 0.809524
177 PAP 0.464286 0.894737
178 D4F 0.463768 0.833333
179 NAE 0.463768 0.886076
180 NAD TDB 0.461538 0.907895
181 NAD IBO 0.461538 0.907895
182 7MC 0.461538 0.813953
183 H1Q 0.459459 0.846154
184 DZD 0.459259 0.876543
185 ZID 0.457143 0.909091
186 TAD 0.456693 0.853659
187 2A5 0.455357 0.8375
188 62F 0.453947 0.833333
189 AHZ 0.453125 0.790698
190 FB0 0.452055 0.76087
191 JB6 0.45082 0.851852
192 7D4 0.45045 0.825
193 ITT 0.45045 0.857143
194 LPA AMP 0.449612 0.790698
195 G5A 0.447368 0.755556
196 M24 0.446043 0.843373
197 AVV 0.445378 0.841463
198 NDC 0.442177 0.864198
199 NSS 0.441667 0.775281
200 4TA 0.441176 0.890244
201 54H 0.440678 0.764045
202 VMS 0.440678 0.764045
203 7D3 0.440367 0.825
204 5CD 0.44 0.753247
205 PPS 0.439655 0.8
206 XYA 0.438776 0.789474
207 RAB 0.438776 0.789474
208 ADN 0.438776 0.789474
209 NDE 0.438356 0.897436
210 NVA LMS 0.438017 0.731183
211 AR6 AR6 0.4375 0.883117
212 8X1 0.436975 0.731183
213 TSB 0.436975 0.793103
214 53H 0.436975 0.755556
215 DTA 0.436893 0.759494
216 A3P 0.436364 0.881579
217 A2P 0.436364 0.868421
218 A5A 0.435897 0.781609
219 FNK 0.435065 0.840909
220 HFD 0.434783 0.8625
221 JSQ 0.434783 0.8625
222 ODP 0.433824 0.924051
223 SFG 0.433628 0.725
224 Z5A 0.433566 0.858824
225 6FA 0.433333 0.835294
226 SSA 0.432203 0.775281
227 J7C 0.431193 0.702381
228 DTP 0.431034 0.825
229 P5A 0.430894 0.723404
230 AMP NAD 0.430657 0.896104
231 5N5 0.43 0.766234
232 DSZ 0.429752 0.775281
233 LSS 0.429752 0.73913
234 NO7 0.428571 0.873418
235 52H 0.428571 0.755556
236 SFD 0.427632 0.731959
237 9K8 0.427419 0.712766
238 6AD 0.42735 0.831325
239 EP4 0.427184 0.707317
240 FDA 0.426667 0.870588
241 ARU 0.42623 0.788235
242 6RE 0.425926 0.694118
243 A4D 0.425743 0.766234
244 5CA 0.425 0.775281
245 3DH 0.424528 0.725
246 AV2 0.423729 0.835443
247 AMP DBH 0.421875 0.860759
248 5X8 0.421053 0.7375
249 DAT 0.421053 0.825
250 GSU 0.419355 0.755556
251 MTA 0.419048 0.725
252 3AT 0.418803 0.883117
253 ETB 0.41844 0.786517
254 DCA 0.41844 0.777778
255 FAS 0.418301 0.845238
256 FAD 0.418301 0.845238
257 A3N 0.418182 0.759494
258 K3K 0.417323 0.797468
259 F2N 0.417178 0.850575
260 38V 0.416667 0.855422
261 7D5 0.415094 0.8
262 B1U 0.414062 0.734043
263 YSA 0.414062 0.775281
264 NAD BBN 0.412903 0.835294
265 0T1 0.412587 0.777778
266 2AM 0.411215 0.857143
267 K3E 0.410853 0.7875
268 9JJ 0.409938 0.855422
269 M2T 0.409524 0.690476
270 CUU 0.408696 0.883117
271 V47 0.408333 0.779221
272 KAA 0.408 0.731183
273 7C5 0.407692 0.790123
274 3AM 0.407407 0.844156
275 NAP 0.406897 0.909091
276 8PZ 0.40625 0.795455
277 KOY 0.406015 0.797468
278 PUA 0.405594 0.9
279 FAY 0.405063 0.855422
280 P5F 0.404908 0.83908
281 EEM 0.403361 0.670455
282 COA 0.402778 0.777778
283 RFL 0.402516 0.816092
284 GJV 0.401786 0.686047
285 6MZ 0.401786 0.846154
286 SA8 0.401709 0.686047
287 WSA 0.4 0.784091
Similar Ligands (3D)
Ligand no: 1; Ligand: LAC; Similar ligands found: 354
No: Ligand Similarity coefficient
1 5Y9 1.0289
2 HGY 1.0000
3 NIS 1.0000
4 DAL 1.0000
5 OXD 1.0000
6 ALA 1.0000
7 BUO 1.0000
8 PYM 1.0000
9 ALQ 1.0000
10 PYR 1.0000
11 NAK 1.0000
12 OXL 1.0000
13 OXM 1.0000
14 03W 0.9885
15 DGY 0.9885
16 TF4 0.9863
17 HIU 0.9844
18 DSN 0.9822
19 SER 0.9792
20 MB3 0.9769
21 1AC 0.9766
22 C2N 0.9761
23 FAH 0.9752
24 AOA 0.9747
25 DCY 0.9724
26 HUI 0.9723
27 DE2 0.9721
28 PPI 0.9715
29 DXX 0.9713
30 2RA 0.9707
31 GLV 0.9704
32 CYS 0.9696
33 NIE 0.9693
34 SMB 0.9687
35 GLY 0.9682
36 GOA 0.9670
37 R3W 0.9657
38 HAE 0.9650
39 KSW 0.9644
40 AKR 0.9644
41 MLI 0.9642
42 39J 0.9640
43 3ZS 0.9636
44 3PY 0.9631
45 3OH 0.9625
46 4AX 0.9621
47 HSL 0.9616
48 F50 0.9614
49 2KT 0.9613
50 3MT 0.9608
51 DMI 0.9605
52 KG7 0.9603
53 F3V 0.9600
54 ALF 0.9597
55 AGU 0.9595
56 BU4 0.9594
57 HVB 0.9588
58 THR 0.9586
59 ABA 0.9584
60 SAR 0.9582
61 B20 0.9581
62 GBL 0.9580
63 BMD 0.9579
64 BAL 0.9577
65 DBB 0.9564
66 DTI 0.9563
67 BNZ 0.9563
68 NHY 0.9563
69 1CB 0.9558
70 0PY 0.9558
71 MGX 0.9554
72 DMG 0.9552
73 3TR 0.9551
74 BAQ 0.9544
75 A3B 0.9541
76 61G 0.9536
77 PHZ 0.9536
78 TAY 0.9536
79 6SP 0.9535
80 P1R 0.9532
81 2A3 0.9530
82 BUA 0.9529
83 ETF 0.9526
84 2A1 0.9522
85 TMO 0.9521
86 HOW 0.9508
87 MMZ 0.9505
88 1MZ 0.9502
89 ATO 0.9501
90 AMT 0.9494
91 2MZ 0.9493
92 PPF 0.9490
93 IVA 0.9489
94 XAP 0.9483
95 TSZ 0.9482
96 4MZ 0.9482
97 BUQ 0.9479
98 NMU 0.9471
99 PXO 0.9463
100 GOL 0.9462
101 03S 0.9461
102 MR3 0.9458
103 CXL 0.9456
104 CYH 0.9456
105 BXA 0.9455
106 MLA 0.9446
107 ATQ 0.9443
108 JZ6 0.9443
109 2AI 0.9443
110 HSW 0.9442
111 HLT 0.9433
112 3GR 0.9426
113 3HR 0.9423
114 EGD 0.9418
115 BRP 0.9417
116 J3K 0.9416
117 PZO 0.9410
118 5KX 0.9403
119 9A4 0.9399
120 IPH 0.9395
121 BF4 0.9394
122 2HP 0.9392
123 FPO 0.9392
124 2AP 0.9390
125 HVK 0.9390
126 MBN 0.9383
127 MEU 0.9379
128 TRI 0.9378
129 3BB 0.9376
130 3AP 0.9371
131 5MP 0.9371
132 SLP 0.9371
133 7EX 0.9368
134 C5J 0.9361
135 TBU 0.9357
136 BUB 0.9355
137 HUH 0.9353
138 MZY 0.9350
139 HV2 0.9348
140 3CL 0.9347
141 IMD 0.9345
142 A2Q 0.9345
143 BXO 0.9345
144 TB0 0.9342
145 2IM 0.9338
146 MTG 0.9334
147 HYN 0.9334
148 LGA 0.9332
149 PO4 0.9331
150 L60 0.9324
151 9PO 0.9323
152 PYZ 0.9322
153 HRZ 0.9320
154 GXE 0.9319
155 BYZ 0.9317
156 HAI 0.9315
157 MRY 0.9315
158 8CL 0.9309
159 MLM 0.9307
160 TAN 0.9300
161 GB 0.9296
162 93Q 0.9294
163 V1L 0.9294
164 ES3 0.9292
165 2HA 0.9291
166 3HL 0.9291
167 HHN 0.9289
168 23W 0.9280
169 4AP 0.9277
170 LER 0.9272
171 24T 0.9270
172 FUS 0.9270
173 3ZQ 0.9269
174 CNH 0.9265
175 WOT 0.9263
176 L89 0.9262
177 GXV 0.9259
178 CAQ 0.9257
179 AAE 0.9257
180 DTL 0.9256
181 VSO 0.9250
182 CP2 0.9248
183 NVI 0.9247
184 192 0.9246
185 TTO 0.9244
186 JZ0 0.9242
187 76X 0.9240
188 938 0.9239
189 1AN 0.9232
190 XIX 0.9230
191 93B 0.9225
192 2AF 0.9224
193 FP2 0.9220
194 8LG 0.9220
195 OXE 0.9218
196 1BP 0.9216
197 4XX 0.9210
198 CHT 0.9208
199 PRI 0.9203
200 2CH 0.9201
201 92Z 0.9201
202 PIH 0.9200
203 2PA 0.9196
204 HTS 0.9193
205 TCV 0.9181
206 HGW 0.9179
207 CEJ 0.9173
208 P2D 0.9169
209 BEW 0.9164
210 40O 0.9162
211 TMT 0.9159
212 FW5 0.9156
213 ITU 0.9155
214 TMZ 0.9142
215 25T 0.9131
216 8X3 0.9115
217 MZ0 0.9114
218 DCD 0.9111
219 E60 0.9110
220 SSN 0.9106
221 4DX 0.9106
222 XPO 0.9105
223 D2P 0.9103
224 J1Z 0.9103
225 280 0.9101
226 PEJ 0.9099
227 YAN 0.9098
228 8FH 0.9098
229 SGL 0.9086
230 PRS 0.9085
231 TAU 0.9084
232 ART 0.9084
233 WO6 0.9082
234 6X8 0.9081
235 278 0.9072
236 TFB 0.9068
237 MMQ 0.9065
238 H3M 0.9056
239 285 0.9043
240 BAE 0.9037
241 FJO 0.9035
242 MMU 0.9031
243 BVG 0.9029
244 HDA 0.9023
245 DTT 0.9019
246 9XN 0.9015
247 FMS 0.9011
248 IQ0 0.8990
249 ETM 0.8988
250 DPR 0.8985
251 1DH 0.8984
252 URA 0.8983
253 TFS 0.8981
254 2HE 0.8971
255 AKB 0.8969
256 2EZ 0.8967
257 DUC 0.8964
258 PRO 0.8963
259 LG3 0.8962
260 VAL 0.8954
261 FCN 0.8950
262 HPY 0.8948
263 RP7 0.8946
264 POA 0.8944
265 8GF 0.8944
266 26D 0.8935
267 CYT 0.8935
268 ICN 0.8930
269 ODV 0.8928
270 DTU 0.8918
271 9SB 0.8917
272 P7I 0.8915
273 HCS 0.8913
274 ALO 0.8909
275 EDO 0.8904
276 BVC 0.8904
277 MSF 0.8902
278 PUT 0.8896
279 NCM 0.8895
280 25R 0.8894
281 CSS 0.8893
282 LG5 0.8893
283 HSE 0.8893
284 2PC 0.8893
285 PAE 0.8889
286 BVF 0.8886
287 CRS 0.8884
288 BTL 0.8878
289 HVQ 0.8876
290 DAB 0.8875
291 9X7 0.8872
292 RCO 0.8869
293 MAK 0.8868
294 TZC 0.8867
295 CIG 0.8866
296 DA1 0.8864
297 FOA 0.8861
298 HHQ 0.8861
299 LG4 0.8860
300 RSF 0.8857
301 273 0.8850
302 HGQ 0.8848
303 NVA 0.8845
304 JBN 0.8843
305 HQE 0.8842
306 CRD 0.8842
307 PCR 0.8837
308 B3R 0.8830
309 PYC 0.8818
310 ICC 0.8818
311 3CH 0.8815
312 4JU 0.8812
313 284 0.8812
314 4HS 0.8808
315 1XX 0.8807
316 4JN 0.8798
317 4H2 0.8796
318 M3T 0.8796
319 BML 0.8793
320 4CH 0.8792
321 IOL 0.8791
322 TP5 0.8789
323 NEQ 0.8785
324 IDH 0.8779
325 PXY 0.8778
326 YHO 0.8773
327 FPN 0.8769
328 CP 0.8761
329 PLQ 0.8760
330 ECE 0.8759
331 69O 0.8752
332 T2C 0.8748
333 1DU 0.8748
334 2MH 0.8727
335 9YL 0.8724
336 SYN 0.8715
337 TZZ 0.8710
338 SAT 0.8708
339 OSM 0.8702
340 ISU 0.8700
341 3SY 0.8685
342 URF 0.8677
343 ACT 0.8663
344 282 0.8660
345 MTD 0.8632
346 NOE 0.8611
347 WBU 0.8600
348 NBE 0.8595
349 ABN 0.8588
350 APY 0.8584
351 JZ3 0.8581
352 AF3 0.8579
353 BRJ 0.8577
354 HZP 0.8543
Ligand no: 2; Ligand: NAI; Similar ligands found: 4
No: Ligand Similarity coefficient
1 NAJ 0.9967
2 8ID 0.9651
3 NHD 0.9450
4 A7R 0.8646
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2IMP; Ligand: NAI; Similar sites found with APoc: 4
This union binding pocket(no: 1) in the query (biounit: 2imp.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 6D97 NAD 28.3925
2 6UFP NAD 44.6541
3 4NS3 NAD 45.5115
4 4OE4 NAD 47.8079
Pocket No.: 2; Query (leader) PDB : 2IMP; Ligand: NAI; 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: 2imp.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2IMP; Ligand: NAI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2imp.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2IMP; Ligand: NAI; 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: 2imp.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2IMP; Ligand: LAC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2imp.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2IMP; Ligand: LAC; 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: 2imp.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2IMP; Ligand: LAC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 2imp.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2IMP; Ligand: LAC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2imp.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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