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Receptor
PDB id Resolution Class Description Source Keywords
1T90 2.5 Å EC: 1.2.1.27 CRYSTAL STRUCTURE OF METHYLMALONATE SEMIALDEHYDE DEHYDROGENA BACILLUS SUBTILIS BACILLUS SUBTILIS OXIDOREDUCTASE NAD
Ref.: CRYSTAL STRUCTURE ANALYSIS OF METHYLMALONATE-SEMIAL DEHYDROGENASE FROM BACILLUS SUBTILIS. TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAD A:1490;
B:2490;
C:3490;
D:4490;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1T90 2.5 Å EC: 1.2.1.27 CRYSTAL STRUCTURE OF METHYLMALONATE SEMIALDEHYDE DEHYDROGENA BACILLUS SUBTILIS BACILLUS SUBTILIS OXIDOREDUCTASE NAD
Ref.: CRYSTAL STRUCTURE ANALYSIS OF METHYLMALONATE-SEMIAL DEHYDROGENASE FROM BACILLUS SUBTILIS. TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1T90 - NAD C21 H27 N7 O14 P2 c1cc(c[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 1T90 - NAD C21 H27 N7 O14 P2 c1cc(c[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: NAD; Similar ligands found: 230
No: Ligand ECFP6 Tc MDL keys Tc
1 A3D 0.872727 0.986111
2 NHD 0.821429 0.972222
3 NAP 0.811966 0.986111
4 NFD 0.791304 0.946667
5 NXX 0.765766 0.972603
6 DND 0.765766 0.972603
7 AMP NAD 0.74359 0.972222
8 ZID 0.737705 0.986111
9 NAQ 0.729508 0.934211
10 NAE 0.721311 0.959459
11 NA0 0.712 0.972603
12 TAP 0.704 0.921053
13 NDE 0.689922 0.972603
14 NAJ 0.683333 0.972222
15 NDC 0.679389 0.934211
16 NDO 0.674603 0.958904
17 N01 0.656 0.972222
18 CNA 0.642276 0.972603
19 NBP 0.621212 0.922078
20 8ID 0.609756 0.922078
21 A2D 0.576923 0.958333
22 ADP 0.575472 0.931507
23 NGD 0.574803 0.922078
24 BA3 0.566038 0.958333
25 M33 0.564815 0.918919
26 ADP PO3 0.563636 0.957747
27 B4P 0.560748 0.958333
28 AP5 0.560748 0.958333
29 AN2 0.555556 0.918919
30 AT4 0.555556 0.894737
31 GAP 0.553571 0.932432
32 OOB 0.551724 0.972222
33 CA0 0.550459 0.932432
34 9JJ 0.546053 0.898734
35 HEJ 0.545455 0.931507
36 ACP 0.545455 0.906667
37 ATP 0.545455 0.931507
38 DQV 0.544 0.972222
39 ADP ALF 0.54386 0.883117
40 ALF ADP 0.54386 0.883117
41 DAL AMP 0.543103 0.945205
42 APR 0.540541 0.931507
43 AQP 0.540541 0.931507
44 AR6 0.540541 0.931507
45 5FA 0.540541 0.931507
46 ADP VO4 0.53913 0.945205
47 VO4 ADP 0.53913 0.945205
48 AD9 0.535714 0.906667
49 SAP 0.535714 0.883117
50 AGS 0.535714 0.883117
51 WAQ 0.533333 0.896104
52 ABM 0.53271 0.905405
53 DLL 0.529412 0.972222
54 00A 0.529412 0.921053
55 ACQ 0.526316 0.906667
56 NJP 0.526316 0.959459
57 ANP 0.526316 0.906667
58 OAD 0.525 0.932432
59 ADX 0.522523 0.839506
60 5AL 0.521739 0.945205
61 A1R 0.521008 0.871795
62 9SN 0.520325 0.909091
63 A 0.518868 0.930556
64 AMP 0.518868 0.930556
65 50T 0.517857 0.893333
66 ATF 0.517241 0.894737
67 1ZZ 0.516393 0.851852
68 3OD 0.516393 0.932432
69 SON 0.513514 0.92
70 PRX 0.513274 0.881579
71 6YZ 0.512821 0.906667
72 SRP 0.512821 0.92
73 9X8 0.512397 0.883117
74 ADP BMA 0.512397 0.932432
75 3UK 0.512397 0.958904
76 MYR AMP 0.512195 0.851852
77 NAJ PZO 0.510949 0.909091
78 NMN 0.509434 0.875
79 A3R 0.508333 0.871795
80 B5V 0.508197 0.945946
81 AMP DBH 0.507937 0.906667
82 A22 0.504202 0.945205
83 ATP A A A 0.504 0.971831
84 B5M 0.504 0.933333
85 FA5 0.504 0.945946
86 8QN 0.5 0.945205
87 NAX 0.496183 0.886076
88 TYR AMP 0.496063 0.933333
89 PR8 0.495935 0.8625
90 AMO 0.495868 0.92
91 ADQ 0.495868 0.932432
92 4AD 0.495868 0.933333
93 PAJ 0.495868 0.873418
94 A12 0.495495 0.894737
95 AP2 0.495495 0.894737
96 AHZ 0.492308 0.851852
97 YAP 0.492063 0.933333
98 FYA 0.491935 0.918919
99 AHX 0.491803 0.884615
100 4UU 0.488372 0.933333
101 5SV 0.487603 0.8375
102 TAT 0.487179 0.894737
103 T99 0.487179 0.894737
104 APC 0.486957 0.894737
105 SRA 0.486239 0.881579
106 6V0 0.484848 0.909091
107 NAI 0.484848 0.921053
108 GTA 0.484615 0.898734
109 A A 0.483871 0.958333
110 LAD 0.483871 0.873418
111 AU1 0.482456 0.906667
112 F2R 0.481752 0.831325
113 OMR 0.481203 0.841463
114 TXE 0.481203 0.921053
115 AF3 ADP 3PG 0.481203 0.873418
116 LAQ 0.480916 0.851852
117 G3A 0.48062 0.909091
118 B5Y 0.480315 0.933333
119 NB8 0.48 0.884615
120 TXA 0.48 0.92
121 BIS 0.48 0.871795
122 ME8 0.48 0.851852
123 PTJ 0.48 0.884615
124 139 0.477941 0.886076
125 LPA AMP 0.477273 0.851852
126 AFH 0.476923 0.873418
127 AR6 AR6 0.476923 0.958333
128 G5P 0.476923 0.909091
129 ARG AMP 0.476923 0.841463
130 25L 0.47619 0.945205
131 NAJ PYZ 0.475524 0.864198
132 25A 0.47541 0.958333
133 9ZA 0.47541 0.896104
134 9ZD 0.47541 0.896104
135 DZD 0.47482 0.897436
136 TXD 0.473684 0.921053
137 4UV 0.472868 0.933333
138 TYM 0.470149 0.945946
139 RBY 0.470085 0.894737
140 ADV 0.470085 0.894737
141 4TA 0.467626 0.864198
142 48N 0.466165 0.884615
143 XAH 0.465116 0.851852
144 4UW 0.462687 0.897436
145 M24 0.461538 0.886076
146 80F 0.460993 0.853659
147 IOT 0.459854 0.821429
148 T5A 0.456522 0.853659
149 EAD 0.455782 0.886076
150 MAP 0.455285 0.883117
151 GA7 0.454545 0.894737
152 BT5 0.453901 0.821429
153 A4P 0.452555 0.833333
154 UP5 0.451852 0.933333
155 PAP 0.445378 0.917808
156 4TC 0.445255 0.909091
157 AP0 0.445255 0.884615
158 YLP 0.444444 0.831325
159 P1H 0.443709 0.864198
160 AOC 0.442478 0.810811
161 Z5A 0.439189 0.833333
162 LMS 0.4375 0.817073
163 2A5 0.436975 0.857143
164 A G 0.43662 0.921053
165 G A A A 0.43662 0.909091
166 COD 0.43662 0.802326
167 ADJ 0.435714 0.841463
168 YLB 0.434783 0.831325
169 YLC 0.434783 0.851852
170 U A G G 0.433566 0.921053
171 ATR 0.433333 0.90411
172 7MD 0.432836 0.851852
173 8X1 0.432 0.764045
174 G5A 0.429752 0.790698
175 PO4 PO4 A A A A PO4 0.429688 0.943662
176 TAD 0.42963 0.873418
177 5AS 0.42735 0.770115
178 BTX 0.426573 0.831325
179 YLA 0.425532 0.831325
180 DSZ 0.425197 0.790698
181 NCN 0.424779 0.805556
182 UPA 0.42446 0.921053
183 8PZ 0.424242 0.811765
184 VMS 0.424 0.8
185 54H 0.424 0.8
186 9K8 0.423077 0.744444
187 N0B 0.422819 0.853659
188 6AD 0.422764 0.85
189 AYB 0.422535 0.821429
190 7D3 0.422414 0.844156
191 YLY 0.421769 0.821429
192 TSB 0.420635 0.809524
193 ODP 0.41958 0.922078
194 AV2 0.419355 0.855263
195 FB0 0.419355 0.775281
196 A5A 0.419355 0.819277
197 NNR 0.419048 0.739726
198 A A A 0.418605 0.918919
199 U A 0.417808 0.946667
200 649 0.417266 0.775281
201 NMN AMP PO4 0.416667 0.933333
202 SSA 0.416 0.790698
203 P5A 0.415385 0.755556
204 LSS 0.414062 0.772727
205 A2R 0.412698 0.918919
206 52H 0.412698 0.790698
207 JB6 0.412214 0.896104
208 5N5 0.411215 0.783784
209 YSA 0.410448 0.811765
210 53H 0.409449 0.790698
211 5CA 0.409449 0.790698
212 ITT 0.408333 0.878378
213 7D4 0.408333 0.844156
214 NA7 0.407692 0.894737
215 LEU LMS 0.407692 0.784091
216 5CD 0.407407 0.794521
217 0WD 0.406897 0.909091
218 A3P 0.40678 0.930556
219 HFD 0.406504 0.883117
220 AVV 0.40625 0.860759
221 RAB 0.40566 0.808219
222 XYA 0.40566 0.808219
223 ADN 0.40566 0.808219
224 FDA 0.405063 0.823529
225 GSU 0.40458 0.790698
226 7MC 0.404255 0.831325
227 NSS 0.403101 0.811765
228 6FA 0.402516 0.853659
229 PPS 0.4 0.817073
230 NVA LMS 0.4 0.784091
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1T90; Ligand: NAD; Similar sites found with APoc: 154
This union binding pocket(no: 1) in the query (biounit: 1t90.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 1WUW TSU None
2 2Z49 AMG 1.38889
3 2Z48 NGA 1.38889
4 2ACV UDP 1.51188
5 1KAE NAD 1.6129
6 2X1E X1E 1.68067
7 2J44 GLC GLC GLC 1.84332
8 2Z4T C5P 1.85185
9 4DFU QUE 1.86335
10 1SES AMP 1.90024
11 1BGV GLU 2.00445
12 1V59 NAD 2.09205
13 3W6X HZP 2.18341
14 4B4U NAP 2.31023
15 3BF8 MLA 2.35294
16 2RDE C2E 2.39044
17 2ZX2 RAM 2.5641
18 2IBN I1N 2.8
19 4R84 CSF 2.88066
20 5L2R MLA 2.88066
21 2D2I NAP 2.89474
22 5XK9 DMA 3.01724
23 5K8P 6R8 3.05882
24 1Q19 SSC 3.08642
25 3QPB URA 3.19149
26 3F5A SIA GAL NAG 3.25203
27 5KJW 53C 3.27869
28 4OJP MAL 3.29218
29 4B4Q A2G GAL NAG FUC GAL GLC 3.31126
30 1YFS ALA 3.44086
31 5ZXD ATP 3.47985
32 1FDJ 13P 3.58127
33 3DXY SAM 3.66972
34 1VKF CIT 3.7234
35 3UYW TAU 3.73832
36 4XFR CIT 3.74707
37 5DYO FLU 3.77358
38 5IFK HPA 3.84615
39 1HYH NAD 3.8835
40 2WDA L42 3.90947
41 5G48 1FL 4.01069
42 5OM2 DXT 4.06504
43 2NU8 COA 4.16667
44 3EFS BTN 4.29185
45 1WDK NAD 4.32099
46 5JR6 01B PRO PRO ALA NH2 4.32099
47 2J9L ATP 4.32432
48 6GNO XDI 4.44444
49 3V1Y NAD 4.45104
50 5AHO TLA 4.46429
51 5GQX GLC GLC GLC GLC 4.52675
52 2IMG MLT 4.63576
53 1VMK GUN 4.69314
54 4TVD BGC 4.73251
55 5LD5 NAD 4.7486
56 4R8L ASP 4.93506
57 3SAO DBH 5
58 1PDZ PGA 5.06912
59 3QSB 743 5.19126
60 1XX6 ADP 5.2356
61 2C5S AMP 5.32688
62 5A9A UTP 5.34979
63 3TY3 GGG 5.46448
64 5E5U MLI 5.52764
65 2ZWI C5P 5.63003
66 3KIF GDL 5.66038
67 1LVW TYD 5.76271
68 2OFW ADX 5.76923
69 1EJH M7G 5.78947
70 4RYV ZEA 5.80645
71 3HVJ 705 5.88235
72 3RK0 AMP 5.90717
73 3RK1 ATP 5.90717
74 1KYA XYD 5.96708
75 5Y4R C2E 6.12245
76 1KYQ NAD 6.20438
77 3PA8 621 6.29921
78 5OCG 9R5 6.34921
79 2YN4 39J 6.35593
80 3LGS SAH 6.36704
81 3PNA CMP 6.49351
82 1LSH PLD 6.58436
83 3MMH SME 6.58683
84 5OF1 SAL 6.66667
85 1NF8 BOG 6.76329
86 4WCX MET 6.875
87 3CTR MGP 6.93069
88 6FA4 D1W 6.93642
89 3UDG TMP 6.97674
90 2DUR MAN MAN 7.11462
91 2JE7 XMM 7.53138
92 6DW2 HD4 7.59494
93 3U1T MLI 7.76699
94 4PTN GXV 7.87172
95 5DEQ ARA 7.89474
96 4CIB 7UZ 7.91209
97 2Y65 ADP 8.21918
98 3H0L ADP 8.51064
99 2IU8 PLM 8.55615
100 5FYR INS 8.72483
101 2JK0 ASP 8.92308
102 1L5Y BEF 9.03226
103 1HXD BTN 9.34579
104 3KYF 5GP 5GP 9.52381
105 2B99 RDL 9.61539
106 3BJE URA 10.0287
107 1BW9 PPY 10.3933
108 2D5A COA 10.4167
109 1C1X HFA 10.4225
110 2XG5 EC5 10.5505
111 2XG5 EC2 10.5505
112 3A8H TAY 10.628
113 5A1S FLC 10.7143
114 1ZQ9 SAM 10.8772
115 2HIM ASP 11.1732
116 2HIM ASN 11.1732
117 1IK4 PGH 11.1842
118 5FUI APY 11.3636
119 1UPR 4IP 11.3821
120 4YJK URA 11.9048
121 1I7M CG 11.9403
122 3DZ6 M8E 11.9403
123 1UYY BGC BGC 12.2137
124 2FKA BEF 12.4031
125 5HCA BGC 12.4088
126 1J2Z SOG 12.5926
127 3UVD MB3 12.9032
128 1HSL HIS 13.8655
129 1WDI CIT 15.942
130 3IWD M2T 16.1765
131 5C79 PBU 18
132 2Y69 CHD 24.3243
133 2V7Q ADP 25.7576
134 5TVF CGQ 25.8824
135 5T46 MGP 28.7879
136 4NS3 NAD 30.0412
137 5JFL NAD 31.1069
138 1EZ0 NAP 32.5103
139 4LH0 GLV 32.716
140 2Y5D NAP 35.1852
141 3HAZ NAD 37.2428
142 5DBV COA 40.8989
143 4OE4 NAD 41.5638
144 4YWV SSN 42.3656
145 5KF6 NAD 43.0041
146 3VZ3 NAP 43.5449
147 3VZ3 SSN 43.5449
148 4I3V NAD 44.0329
149 4ZUL UN1 44.0329
150 1KY8 NAP 44.0329
151 5UCD NAP 44.639
152 3EFV NAD 45.2381
153 6FK3 PPI 46.7078
154 6MVU K4V 47.9424
Pocket No.: 2; Query (leader) PDB : 1T90; Ligand: NAD; Similar sites found with APoc: 40
This union binding pocket(no: 2) in the query (biounit: 1t90.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 6B79 ORA None
2 1U4L H1S None
3 5T8U LPA 1.38889
4 2F6D ACR 2.05761
5 1EQ2 ADQ 2.25806
6 3KVY URA 2.26537
7 2D24 XYS XYS 2.29358
8 5YJS SAL 2.30769
9 1X9I G6Q 2.64901
10 5KVS NAP 3.11688
11 3QPB R1P 3.19149
12 6AM8 TRP 3.28283
13 1MFI FHC 3.50877
14 4Z7X 3CX 3.78151
15 1TZJ A3B 3.84615
16 1V6A TRE 4.21687
17 2H8Z 8CM 4.45682
18 1EWK GLU 4.52675
19 4XWM CBI 4.52675
20 1JAY F42 4.71698
21 2B7N NTM 4.7619
22 3E7S AT2 4.87239
23 3B5J 12D 4.93827
24 2P69 PLP 5.22876
25 1X8X TYR 5.2795
26 5KHD C2E 5.49451
27 1RYD GLC 5.94315
28 2BCG GER 5.96026
29 1GZF NIR 6.16114
30 5I8F ML1 6.66667
31 4OIT MAN 7.07965
32 1JT2 FER 7.46269
33 4V3C C 7.47423
34 2NZ5 226 7.99031
35 2Q37 3AL 8.28729
36 1GXS DKA 8.86076
37 1SQL GUN 8.90411
38 4G86 BNT 12.3239
39 5WS9 OXL 13.0526
40 3W9F I3P 16.1538
Pocket No.: 3; Query (leader) PDB : 1T90; Ligand: NAD; Similar sites found with APoc: 27
This union binding pocket(no: 3) in the query (biounit: 1t90.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 1OFL NGK GCD 1.4553
2 2IZ1 ATR 1.68776
3 3JQG AX6 1.73611
4 4GN8 ASO 2.67559
5 1NW4 IMH 2.89855
6 5MRH Q9Z 3.08642
7 1Y7P RIP 3.7037
8 5DNC ASN 3.90947
9 4QAR ADE 3.9801
10 1TE2 PGA 3.9823
11 2CH5 NAG 4.03458
12 2XOC ADP 4.21456
13 3FSY SCA 4.21687
14 4LED XXR 4.85075
15 3LTW HLZ 5
16 5YSI NCA 5.26316
17 1Z34 2FD 5.53191
18 2AWN ADP 6.03675
19 5Z2F PDC 6.41509
20 4JGT PYR 6.68896
21 1VHW ADN 6.71937
22 5L8N 6RQ 7.03125
23 1MJT NAD 7.20461
24 4FLP JQ1 8.40336
25 3WUR O4B 8.77193
26 3RF4 FUN 9.48276
27 4GKY MAN 9.96169
Pocket No.: 4; Query (leader) PDB : 1T90; Ligand: NAD; Similar sites found with APoc: 28
This union binding pocket(no: 4) in the query (biounit: 1t90.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 6HL8 GUA 1.69972
2 5TSH ANP 2.05761
3 5KWW 6YA 2.05761
4 1DSS NAD 2.1021
5 4LWP SAH 2.17391
6 1SDW IYT 2.2293
7 1KYZ SAH 2.46575
8 1RRC ADP 2.65781
9 1YAA MAE 2.6699
10 1QPR PHT 2.8169
11 3B20 NAD 3.24484
12 1TZD ADP 3.27273
13 1ZDQ MSM 3.27381
14 1CT9 AMP 3.29218
15 2AGC DAO 3.7037
16 2FVK DUC 4.32099
17 4Z1D PEP 4.34783
18 6BTN E8M 4.9505
19 2GAG FOA 5.05051
20 4MJ0 SIA SIA 5.45455
21 2YY8 MTA 5.47264
22 5BXV MGP 5.72917
23 3QV1 NAD 6.09756
24 5CDH TLA 6.25
25 2WPB ZZI 8.55263
26 5A7C 5D4 10.6195
27 1JG3 ADN 15.7447
28 5N1Q COM 22.9885
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