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Receptor
PDB id Resolution Class Description Source Keywords
2IMP 2.1 Å EC: 1.2.1.22 CRYSTAL STRUCTURE OF LACTALDEHYDE DEHYDROGENASE FROM E. COLI TERNARY COMPLEX WITH PRODUCT BOUND (L)-LACTATE AND NADH. 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: 1.2.1.22 CRYSTAL STRUCTURE OF LACTALDEHYDE DEHYDROGENASE FROM E. COLI TERNARY COMPLEX WITH PRODUCT BOUND (L)-LACTATE AND NADH. 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 (63)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 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 5L2N ic50 = 2.8 uM 6ZU C18 H16 O5 S CC1=C(C(=O....
4 1BXS - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 5ABM - TXE C21 H31 N7 O14 P2 c1nc(c2c(n....
6 5L2M Ki = 170 nM 6ZY C22 H25 N O4 Cc1c(oc2c1....
7 4X4L ic50 = 4.6 uM 3XG C21 H25 N3 O3 S2 CCOC(=O)CS....
8 5AC0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 4WP7 ic50 = 0.8 uM 3SR C22 H30 N6 O4 CC(C)CCn1c....
10 4WB9 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
11 4WPN ic50 = 0.21 uM 3ST C19 H30 N6 O3 CC(C)CCn1c....
12 5AC2 - TXE C21 H31 N7 O14 P2 c1nc(c2c(n....
13 4I9B - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
14 4I3X - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
15 5N5S Kd = 31 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
16 4PZ2 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
17 1WNB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
18 3IWK - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
19 4A0M - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
20 4GNZ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
21 3RHR Kd = 5.7 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
22 3RHJ Kd = 0.0073 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
23 4GO2 - TAP C21 H28 N7 O16 P3 S c1cc(c[n+]....
24 2O2R - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
25 3RHL - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
26 3RHO Kd = 0.26 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
27 3RHQ Kd = 9.2 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
28 2O2Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
29 3JZ4 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
30 1O01 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
31 2ONM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
32 2VLE - DZN C21 H20 O9 c1cc(ccc1C....
33 3INL - BXB C15 H11 Cl2 N O3 c1cc(c(c(c....
34 3SZ9 - I3E C11 H14 O CCc1ccc(cc....
35 4FR8 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
36 1O04 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
37 3INJ - BXB C15 H11 Cl2 N O3 c1cc(c(c(c....
38 2ONP - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
39 1O02 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
40 5L13 Ki = 19 nM 6ZE C17 H18 O3 CCCC1=C(c2....
41 1NZX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
42 4KWG ic50 = 2.4 uM 2AK C9 H6 Br N O2 Cc1cc2c(c(....
43 4KWF ic50 = 82 uM 3AK C15 H11 N O2 c1ccc(cc1)....
44 4FQF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
45 1NZZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
46 5X5U - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 2W8Q - SIN C4 H6 O4 C(CC(=O)O)....
48 2W8R - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
49 1UXV - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50 1UXR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
51 1UXQ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
52 2IMP - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
53 3ZQA - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
54 2WOX - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
55 5IUW - IAC C10 H9 N O2 c1ccc2c(c1....
56 5IUV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
57 1O9J - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
58 4I8P - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
59 3IWJ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
60 1T90 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
61 6ALJ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
62 6B5G Kd = 0.26 uM CQY C21 H26 N4 O4 S CCOc1ccsc1....
63 6B5H Kd = 1.1 uM CU4 C24 H17 F N4 O3 S CS(=O)(=O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LAC; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 LAC 1 1
2 2OP 1 1
3 HBS 0.6 0.615385
4 HBR 0.6 0.615385
5 2RH 0.5 0.631579
6 TAR 0.5 0.611111
7 TLA 0.5 0.611111
8 SRT 0.5 0.611111
9 IPM 0.47619 0.631579
10 KIV 0.444444 0.625
11 LFC 0.434783 0.8
12 23B 0.428571 0.631579
13 QFH 0.428571 0.631579
14 WTZ 0.428571 0.631579
15 RAT 0.421053 0.611111
16 LGT 0.421053 0.611111
17 GAE 0.421053 0.611111
18 3LR 0.4 0.6
Ligand no: 2; Ligand: NAI; Similar ligands found: 262
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 AR6 0.613861 0.907895
16 APR 0.613861 0.907895
17 EAD 0.609375 0.961538
18 SAP 0.607843 0.8625
19 AGS 0.607843 0.8625
20 ADP 0.606061 0.907895
21 HEJ 0.60396 0.907895
22 50T 0.60396 0.871795
23 ATP 0.60396 0.907895
24 AN2 0.6 0.896104
25 AT4 0.6 0.873418
26 A22 0.598131 0.921053
27 AQP 0.598039 0.907895
28 5FA 0.598039 0.907895
29 M33 0.594059 0.896104
30 CA0 0.594059 0.909091
31 AD9 0.592233 0.884615
32 NAJ PZO 0.592 0.935897
33 P1H 0.590909 0.9375
34 ACP 0.588235 0.884615
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 NAJ PYZ 0.573643 0.890244
45 A3R 0.572727 0.851852
46 ADJ 0.569106 0.890244
47 UP5 0.566667 0.960526
48 ACQ 0.566038 0.884615
49 9X8 0.5625 0.8625
50 A 0.561224 0.881579
51 AMP 0.561224 0.881579
52 ATF 0.555556 0.873418
53 6YZ 0.550459 0.884615
54 8QN 0.54955 0.896104
55 25L 0.547826 0.921053
56 4TC 0.544715 0.935897
57 AMO 0.544643 0.897436
58 PAJ 0.544643 0.853659
59 ADQ 0.544643 0.909091
60 ABM 0.544554 0.858974
61 NPW 0.544 0.949367
62 WAQ 0.54386 0.851852
63 LAD 0.54386 0.831325
64 PR8 0.54386 0.821429
65 DQV 0.541667 0.946667
66 DG1 0.541353 0.986842
67 1DG 0.541353 0.986842
68 00A 0.539823 0.875
69 NZQ 0.539683 0.974026
70 BIS 0.53913 0.851852
71 1ZZ 0.53913 0.811765
72 APC 0.537736 0.873418
73 OMR 0.536585 0.823529
74 OOB 0.535714 0.921053
75 25A 0.535714 0.907895
76 5SV 0.535714 0.797619
77 3UK 0.535088 0.909091
78 A12 0.533981 0.873418
79 AP2 0.533981 0.873418
80 B5V 0.530435 0.897436
81 DND 0.528455 0.922078
82 NXX 0.528455 0.922078
83 CNA 0.527559 0.922078
84 DLL 0.526316 0.921053
85 AHX 0.526316 0.864198
86 PTJ 0.525862 0.841463
87 ME8 0.525862 0.811765
88 FYA 0.525862 0.871795
89 NB8 0.525862 0.864198
90 B5M 0.525424 0.886076
91 YAP 0.525424 0.886076
92 SRA 0.524752 0.8375
93 SON 0.52381 0.873418
94 TAT 0.522936 0.873418
95 T99 0.522936 0.873418
96 ADP VO4 0.522523 0.871795
97 VO4 ADP 0.522523 0.871795
98 48N 0.520325 0.864198
99 YLP 0.520325 0.793103
100 YLB 0.52 0.793103
101 AU1 0.518868 0.884615
102 ADP PO3 0.518519 0.881579
103 9SN 0.516949 0.864198
104 DAL AMP 0.513274 0.871795
105 TXA 0.512821 0.897436
106 B5Y 0.512605 0.886076
107 FA5 0.512605 0.897436
108 GAP 0.509091 0.860759
109 9ZA 0.508772 0.851852
110 9ZD 0.508772 0.851852
111 4UU 0.508197 0.960526
112 YLC 0.507937 0.833333
113 T5A 0.507812 0.925926
114 RBY 0.504587 0.873418
115 ADV 0.504587 0.873418
116 TYR AMP 0.504132 0.8625
117 4UW 0.504 0.924051
118 TXP 0.503876 0.911392
119 ALF ADP 0.5 0.817073
120 G3A 0.5 0.8875
121 F2R 0.5 0.813953
122 TYM 0.5 0.897436
123 ADP ALF 0.5 0.817073
124 LAQ 0.5 0.811765
125 COD 0.496183 0.786517
126 139 0.496124 0.9125
127 YLA 0.496124 0.813953
128 G5P 0.495935 0.8875
129 AFH 0.495935 0.853659
130 XAH 0.495868 0.811765
131 BT5 0.492424 0.784091
132 AYB 0.492308 0.784091
133 A4P 0.492188 0.880952
134 GTA 0.491935 0.855422
135 4UV 0.491803 0.960526
136 A2R 0.491228 0.896104
137 MAP 0.486957 0.8625
138 NAD 0.484848 0.921053
139 XNP 0.484848 0.936709
140 UPA 0.484375 0.948052
141 7MD 0.483871 0.833333
142 ARG AMP 0.483871 0.781609
143 MYR AMP 0.483333 0.790698
144 NA7 0.483051 0.873418
145 YLY 0.477941 0.784091
146 ATR 0.477477 0.881579
147 AOC 0.47619 0.792208
148 ATP A A A 0.47541 0.894737
149 BTX 0.473684 0.793103
150 5AS 0.472222 0.736264
151 GA7 0.472 0.873418
152 LMS 0.471154 0.77907
153 NAQ 0.471014 0.864198
154 ADP BMA 0.470588 0.884615
155 N0B 0.467626 0.835294
156 A A 0.466667 0.883117
157 A3D 0.466667 0.909091
158 NJP 0.466165 0.910256
159 IOT 0.465649 0.784091
160 AF3 ADP 3PG 0.465116 0.809524
161 PAP 0.464286 0.894737
162 NAE 0.463768 0.886076
163 7MC 0.461538 0.813953
164 DZD 0.459259 0.876543
165 ZID 0.457143 0.909091
166 TAD 0.456693 0.853659
167 2A5 0.455357 0.8375
168 62F 0.453947 0.833333
169 AHZ 0.453125 0.790698
170 FB0 0.452055 0.76087
171 JB6 0.45082 0.851852
172 ITT 0.45045 0.857143
173 7D4 0.45045 0.825
174 LPA AMP 0.449612 0.790698
175 G5A 0.447368 0.755556
176 LEU LMS 0.446281 0.731183
177 M24 0.446043 0.843373
178 AVV 0.445378 0.841463
179 NDC 0.442177 0.864198
180 NSS 0.441667 0.775281
181 4TA 0.441176 0.890244
182 VMS 0.440678 0.764045
183 54H 0.440678 0.764045
184 7D3 0.440367 0.825
185 5CD 0.44 0.753247
186 PPS 0.439655 0.8
187 XYA 0.438776 0.789474
188 ADN 0.438776 0.789474
189 RAB 0.438776 0.789474
190 NDE 0.438356 0.897436
191 NVA LMS 0.438017 0.731183
192 AR6 AR6 0.4375 0.883117
193 TSB 0.436975 0.793103
194 53H 0.436975 0.755556
195 8X1 0.436975 0.731183
196 DTA 0.436893 0.759494
197 A2P 0.436364 0.868421
198 A3P 0.436364 0.881579
199 A5A 0.435897 0.781609
200 FNK 0.435065 0.840909
201 HFD 0.434783 0.8625
202 ODP 0.433824 0.924051
203 SFG 0.433628 0.725
204 Z5A 0.433566 0.858824
205 6FA 0.433333 0.835294
206 SSA 0.432203 0.775281
207 J7C 0.431193 0.702381
208 DTP 0.431034 0.825
209 P5A 0.430894 0.723404
210 AMP NAD 0.430657 0.896104
211 5N5 0.43 0.766234
212 DSZ 0.429752 0.775281
213 LSS 0.429752 0.73913
214 52H 0.428571 0.755556
215 SFD 0.427632 0.731959
216 9K8 0.427419 0.712766
217 6AD 0.42735 0.831325
218 EP4 0.427184 0.707317
219 FDA 0.426667 0.870588
220 ARU 0.42623 0.788235
221 6RE 0.425926 0.694118
222 A4D 0.425743 0.766234
223 5CA 0.425 0.775281
224 3DH 0.424528 0.725
225 AV2 0.423729 0.835443
226 AMP DBH 0.421875 0.860759
227 U A 0.421429 0.923077
228 DAT 0.421053 0.825
229 5X8 0.421053 0.7375
230 GSU 0.419355 0.755556
231 MTA 0.419048 0.725
232 3AT 0.418803 0.883117
233 ETB 0.41844 0.786517
234 DCA 0.41844 0.777778
235 FAD 0.418301 0.845238
236 FAS 0.418301 0.845238
237 A3N 0.418182 0.759494
238 F2N 0.417178 0.850575
239 7D5 0.415094 0.8
240 A U 0.414815 0.910256
241 YSA 0.414062 0.775281
242 0T1 0.412587 0.777778
243 A C A C 0.411348 0.8875
244 2AM 0.411215 0.857143
245 9JJ 0.409938 0.855422
246 M2T 0.409524 0.690476
247 KAA 0.408 0.731183
248 7C5 0.407692 0.790123
249 3AM 0.407407 0.844156
250 NAP 0.406897 0.909091
251 8PZ 0.40625 0.795455
252 PUA 0.405594 0.9
253 FAY 0.405063 0.855422
254 P5F 0.404908 0.83908
255 EEM 0.403361 0.670455
256 COA 0.402778 0.777778
257 RFL 0.402516 0.816092
258 GJV 0.401786 0.686047
259 SA8 0.401709 0.686047
260 U A C C 0.401408 0.898734
261 WSA 0.4 0.784091
262 G A A A 0.4 0.841463
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: 126
This union binding pocket(no: 1) in the query (biounit: 2imp.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO4 PIH None
2 6FA4 D1W 1.15607
3 5O5Y GLC 1.50862
4 5YJS SAL 1.53846
5 3QSB 743 1.63934
6 1KYZ SAH 1.64384
7 2Z4T C5P 1.67015
8 3G2Y GF4 1.90114
9 4DE2 DN3 1.90114
10 4DDS 0J7 1.90114
11 2Y65 ADP 1.91781
12 2IVD ACJ 2.09205
13 4ZDJ UTP 2.29645
14 5OD2 GLC 2.62009
15 5OCG 9R5 2.6455
16 4WOE ADP 2.71399
17 4WOE 3S5 2.71399
18 2Z48 NGA 2.77778
19 2Z49 AMG 2.77778
20 4Z7X 3CX 2.94118
21 1XXR MAN 3.10559
22 6BVI EC4 3.13152
23 6BVL EBY 3.13152
24 6BVJ EAS 3.13152
25 4ZTD ALA GLY ALA GLY ALA 3.16206
26 3JQQ A2P 3.16456
27 4G86 BNT 3.16901
28 4USI ATP 3.24675
29 3RK0 AMP 3.37553
30 5NC1 NAG 3.37553
31 1ODJ GMP 3.40426
32 5G48 1FL 3.47594
33 3LF0 ATP 3.50877
34 3QPB R1P 3.5461
35 4V3C C 3.86598
36 1KAE NAD 3.91705
37 3BD9 A3P 3.92857
38 1IK4 PGH 3.94737
39 5MRH Q9Z 3.9666
40 2WET TRP 3.9666
41 1I7M CG 4.11985
42 3DZ6 M8E 4.11985
43 1XF1 CIT 4.17537
44 5L2R MLA 4.17537
45 2WLG SOP 4.18605
46 4JCA CIT 4.19162
47 4XDA RIB 4.53074
48 4GLW NMN 4.59016
49 1LSH PLD 4.5929
50 2Y91 98J 4.90566
51 4XFR CIT 5.15223
52 5K8P 6R8 5.17647
53 1F9V ADP 5.18732
54 2H6B 3C4 5.2
55 3A3B RBF 5.26316
56 3A3B FMN 5.26316
57 3HGM ATP 5.44218
58 2D3Y DU 5.47945
59 3QXV MTX 5.55556
60 1OFL NGK GCD 5.63674
61 5O3Q CMP 5.83333
62 1U4L H1S 5.88235
63 6GNO XDI 5.92593
64 1HXD BTN 6.23053
65 3KYF 5GP 5GP 6.49351
66 1UPR 4IP 6.50407
67 1KZL CRM 6.73077
68 3B6C SDN 6.83761
69 2XOC ADP 6.89655
70 5F6U 5VK 7.00637
71 3H0L ADP 7.32218
72 6EV2 BGC 7.37327
73 4R84 CSF 7.51566
74 5HWV MBN 7.69231
75 3EFS BTN 7.72532
76 4OJP MAL 8.14196
77 1V3S ATP 8.62069
78 3IWD M2T 8.82353
79 4BWL MN9 8.88158
80 4DFU QUE 9.31677
81 2NU8 COA 9.375
82 1T36 U 9.39457
83 6DZN AE3 9.73451
84 2ZWI C5P 9.91957
85 1M2T ADE 10.2662
86 5ZDN CDP 10.4265
87 5TVF CGQ 10.5882
88 3BRE C2E 10.6145
89 5KJW 53C 11.007
90 5Y4R C2E 11.0345
91 1GPM CIT 11.2735
92 5EOO CIT 11.3208
93 2O1C PPV 11.3333
94 4WCX MET 11.4823
95 2XG5 EC2 11.5607
96 2XG5 EC5 11.5607
97 3MYZ TFX 12
98 6CED EYA 12.1495
99 2IU8 PLM 12.5668
100 5FUI APY 14.3939
101 2J9D ADP 16.8067
102 2J9D AMP 16.8067
103 2YK7 CSF 17.4847
104 1UYY BGC BGC 19.084
105 3NCQ ATP 20.1681
106 4R2M ANP 20.2532
107 5CLO NS8 20.339
108 1EZ0 NAP 20.9804
109 1SQL GUN 27.3973
110 5DBV COA 33.0337
111 5JFL NAD 34.1603
112 2Y5D NAP 37.7871
113 5UCD NAP 40.7002
114 3HAZ NAD 42.7975
115 4LH0 GLV 43.8413
116 5KF6 NAD 44.4676
117 4NS3 NAD 45.5115
118 4ZUL UN1 46.5553
119 4OE4 NAD 47.8079
120 6FK3 PPI 48.0167
121 4I3V NAD 48.643
122 4YWV SSN 48.8172
123 2BJK NAD 49.0605
124 1KY8 NAP 49.6868
125 3VZ3 NAP 49.8906
126 3VZ3 SSN 49.8906
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: 113
This union binding pocket(no: 5) in the query (biounit: 2imp.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 1RRM APR 0.777202
2 3MAX LLX 1.3624
3 6C7D EOJ 1.46199
4 4AOA IK2 1.54185
5 4CU1 71S 1.58014
6 2I3G NAP 1.70455
7 1GA8 DEL 1.92926
8 2H7C SIA 2.08768
9 5ORG 6DB 2.08768
10 4ITU NAI 2.23048
11 1C7O PPG 2.25564
12 3ZXR P3S 2.29645
13 3ZXR IQ1 2.29645
14 2OYL IDC 2.29645
15 2AQX ATP 2.42215
16 1TB3 FMN 2.55682
17 6F3M ADN 2.6087
18 5OD2 GLC 2.62009
19 3MTW M3R 2.72953
20 3F3E LEU 2.92276
21 2A1L PCW 2.96296
22 6AMI TRP 3.0303
23 2GSU AMP 3.05344
24 5GSN NAP 3.09051
25 1ZPT FAD 3.28947
26 1M5W DXP 3.29218
27 5Y9D FAD 3.34029
28 3FPF TNA 3.3557
29 3FPF MTA 3.3557
30 4ZL4 4PK 3.37838
31 3GWT 066 3.39943
32 2NVA PL2 3.49462
33 2H04 4UN 3.51438
34 1ELU PDA 3.54906
35 1ELU CSS 3.54906
36 1XV5 UDP 3.74065
37 5FUB SAH 3.85757
38 4AU7 SAH 4.04858
39 6FWH 5LD 4.06091
40 3IAA TYD 4.08654
41 3RSC TYD 4.09639
42 2GCE SFC 4.16667
43 2GCE RFC 4.16667
44 2XD9 XD9 4.19162
45 2RJH DCS 4.22164
46 3G5N PB2 4.41176
47 4LUT DCS 4.41558
48 2Q8G AZX 4.4226
49 2HJ4 PNZ 4.44444
50 4YFB PAC 4.49438
51 4P3H 25G 4.66321
52 3NJQ NJQ 4.66321
53 1EC9 XYH 4.70852
54 4G6I RS3 4.7619
55 4DV8 0LX 5.01044
56 2QA8 GEN 5.03876
57 3K5I ADP 5.21092
58 4JEM C5P 5.29412
59 5FAG PPI 5.36585
60 4QAC KK3 5.52995
61 1TCO FK5 5.91716
62 5BV6 35G 5.92105
63 2X05 X05 6.05428
64 5E2N V14 6.08365
65 3N5O GSH 6.38298
66 1ECM TSA 6.42202
67 3MI3 LYS 6.61939
68 3ETG NDP 6.68058
69 3ETG GLU 6.68058
70 1NBU PH2 6.72269
71 1VFS DCS 6.99482
72 2PTR 2SA 7.14286
73 4O1M NAD 7.61905
74 6BSW CE6 7.69231
75 6BSW UDP 7.69231
76 4BXF AKG 7.91855
77 1VAY AZA 8.01394
78 4Q9M FPP 8.13008
79 4Q9M 2ZW 8.13008
80 5AA4 6X4 8.20399
81 1VE3 SAM 8.37004
82 4ZM4 P3B 8.50112
83 4Y30 SAH 8.54701
84 2CJF RP4 8.9172
85 1T0S BML 9.30233
86 1T36 ADP 9.39457
87 3U2U UDP 9.88593
88 4N9I PCG 10
89 1LBT T80 11.3565
90 1YYE 196 11.5672
91 5DX0 SFG 12.3209
92 5DX1 SFG 12.3209
93 3N8K D1X 12.7907
94 2ZE7 DST 13.0435
95 3RET PYR 13.8614
96 3RET SAL 13.8614
97 5K8B PDG 13.8958
98 5JAX 6J7 15.5556
99 3BRN SRO 17.1975
100 1EZ0 NAP 20.9804
101 4CCO OGA 25
102 1SQL GUN 27.3973
103 3SZB I1E 35.8209
104 3HAZ NAD 42.7975
105 4LH0 GLV 43.8413
106 5KF6 NAD 44.4676
107 4ZUL UN1 46.5553
108 6FK3 PPI 48.0167
109 4I3V NAD 48.643
110 4YWV SSN 48.8172
111 2BJK NAD 49.0605
112 1KY8 NAP 49.6868
113 3VZ3 SSN 49.8906
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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