Receptor
PDB id Resolution Class Description Source Keywords
1OWB 2.2 Å EC: 2.3.3.1 THREE DIMENSIONAL STRUCTURE ANALYSIS OF THE VARIANT R109L NA OF TYPE II CITRATE SYNTHASE FROM E. COLI ESCHERICHIA COLI ALLOSTERY NADH TYPE II CITRATE SYNTHASE E. COLI R109L TRANSFERASE
Ref.: PROBING THE ROLES OF KEY RESIDUES IN THE UNIQUE REG NADH BINDING SITE OF TYPE II CITRATE SYNTHASE OF ESCHERICHIA COLI. J.BIOL.CHEM. V. 278 35435 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAD A:3000;
B:3001;
Valid;
Valid;
none;
none;
Kd = 1.16 uM
663.425 C21 H27 N7 O14 P2 c1cc(...
SO4 A:2002;
A:2004;
A:2005;
A:2006;
B:2001;
B:2003;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
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
1OWB 2.2 Å EC: 2.3.3.1 THREE DIMENSIONAL STRUCTURE ANALYSIS OF THE VARIANT R109L NA OF TYPE II CITRATE SYNTHASE FROM E. COLI ESCHERICHIA COLI ALLOSTERY NADH TYPE II CITRATE SYNTHASE E. COLI R109L TRANSFERASE
Ref.: PROBING THE ROLES OF KEY RESIDUES IN THE UNIQUE REG NADH BINDING SITE OF TYPE II CITRATE SYNTHASE OF ESCHERICHIA COLI. J.BIOL.CHEM. V. 278 35435 2003
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1OWB Kd = 1.16 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1NXG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 4JAF - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
4 4JAG - OAA C4 H3 O5 C(C(=O)C(=....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1OWB Kd = 1.16 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1NXG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 4JAF - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
4 4JAG - OAA C4 H3 O5 C(C(=O)C(=....
5 2H12 Kd = 21.1 uM OAA C4 H3 O5 C(C(=O)C(=....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1OWB Kd = 1.16 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1NXG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 4JAF - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
4 4JAG - OAA C4 H3 O5 C(C(=O)C(=....
5 2H12 Kd = 21.1 uM OAA C4 H3 O5 C(C(=O)C(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAD; Similar ligands found: 220
No: Ligand ECFP6 Tc MDL keys Tc
1 A3D 0.872727 0.986111
2 NAD IBO 0.845455 0.933333
3 NHD 0.821429 0.972222
4 NAP 0.811966 0.986111
5 NAJ PYZ 0.803419 0.910256
6 NFD 0.791304 0.946667
7 NXX 0.765766 0.972603
8 DND 0.765766 0.972603
9 ZID 0.737705 0.986111
10 NAQ 0.729508 0.934211
11 NAE 0.721311 0.959459
12 NA0 0.712 0.972603
13 TAP 0.704 0.921053
14 AMP NAD 0.696 0.945946
15 NDE 0.689922 0.972603
16 NAJ 0.683333 0.972222
17 NDC 0.679389 0.934211
18 NDO 0.674603 0.958904
19 N01 0.656 0.972222
20 CNA 0.642276 0.972603
21 NBP 0.621212 0.922078
22 NAD BBN 0.609929 0.876543
23 8ID 0.609756 0.922078
24 NAD CJ3 0.601399 0.845238
25 ADP MG 0.579439 0.918919
26 A2D 0.576923 0.958333
27 ADP 0.575472 0.931507
28 NGD 0.574803 0.922078
29 BEF ADP 0.574074 0.894737
30 ADP BEF 0.574074 0.894737
31 BA3 0.566038 0.958333
32 NAD NDT 0.565789 0.755319
33 M33 0.564815 0.918919
34 ADP PO3 0.563636 0.957747
35 B4P 0.560748 0.958333
36 AP5 0.560748 0.958333
37 ATP MG 0.558559 0.918919
38 AN2 0.555556 0.918919
39 GAP 0.553571 0.932432
40 OOB 0.551724 0.972222
41 CA0 0.550459 0.932432
42 ATP 0.545455 0.931507
43 ACP 0.545455 0.906667
44 NAD TDB 0.544872 0.70297
45 ADP ALF 0.54386 0.883117
46 ALF ADP 0.54386 0.883117
47 5FA 0.540541 0.931507
48 AQP 0.540541 0.931507
49 APR 0.540541 0.931507
50 AR6 0.540541 0.931507
51 ANP MG 0.53913 0.907895
52 VO4 ADP 0.53913 0.945205
53 ADP VO4 0.53913 0.945205
54 AGS 0.535714 0.883117
55 SAP 0.535714 0.883117
56 AD9 0.535714 0.906667
57 WAQ 0.533333 0.896104
58 ABM 0.53271 0.905405
59 00A 0.529412 0.921053
60 DLL 0.529412 0.972222
61 ANP 0.526316 0.906667
62 NJP 0.526316 0.959459
63 ACQ 0.526316 0.906667
64 OAD 0.525 0.932432
65 AMP MG 0.523364 0.905405
66 ADX 0.522523 0.839506
67 5AL 0.521739 0.945205
68 A1R 0.521008 0.871795
69 9SN 0.520325 0.909091
70 AMP 0.518868 0.930556
71 A 0.518868 0.930556
72 50T 0.517857 0.893333
73 ATF 0.517241 0.894737
74 DAL AMP 0.516949 0.945205
75 3OD 0.516393 0.932432
76 1ZZ 0.516393 0.851852
77 SON 0.513514 0.92
78 PRX 0.513274 0.881579
79 SRP 0.512821 0.92
80 ADP BMA 0.512397 0.932432
81 3UK 0.512397 0.958904
82 MYR AMP 0.512195 0.851852
83 NAJ PZO 0.510949 0.909091
84 NMN 0.509434 0.875
85 AMP DBH 0.507937 0.906667
86 A22 0.504202 0.945205
87 FA5 0.504 0.945946
88 ATP A A A 0.504 0.971831
89 TYR AMP 0.5 0.945946
90 8QN 0.5 0.945205
91 NAX 0.496183 0.886076
92 PR8 0.495935 0.8625
93 PAJ 0.495868 0.873418
94 4AD 0.495868 0.933333
95 AMO 0.495868 0.92
96 ADQ 0.495868 0.932432
97 A12 0.495495 0.894737
98 AP2 0.495495 0.894737
99 ALF ADP 3PG 0.492424 0.873418
100 LA8 ALF 3PG 0.492424 0.873418
101 AHZ 0.492308 0.851852
102 YAP 0.492063 0.933333
103 FYA 0.491935 0.918919
104 AHX 0.491803 0.884615
105 4UU 0.488372 0.933333
106 5SV 0.487603 0.8375
107 TAT 0.487179 0.894737
108 APC 0.486957 0.894737
109 SRA 0.486239 0.881579
110 NAI 0.484848 0.921053
111 6V0 0.484848 0.909091
112 GTA 0.484615 0.898734
113 A A 0.483871 0.958333
114 LAD 0.483871 0.873418
115 AU1 0.482456 0.906667
116 TXE 0.481203 0.921053
117 AF3 ADP 3PG 0.481203 0.873418
118 OMR 0.481203 0.841463
119 LAQ 0.480916 0.851852
120 G3A 0.48062 0.909091
121 TXA 0.48 0.92
122 NB8 0.48 0.884615
123 ME8 0.48 0.851852
124 BIS 0.48 0.871795
125 PTJ 0.48 0.884615
126 139 0.477941 0.886076
127 LPA AMP 0.477273 0.851852
128 AR6 AR6 0.476923 0.958333
129 G5P 0.476923 0.909091
130 AFH 0.476923 0.873418
131 25L 0.47619 0.945205
132 25A 0.47541 0.958333
133 DZD 0.47482 0.897436
134 TXD 0.473684 0.921053
135 4UV 0.472868 0.933333
136 TYM 0.470149 0.945946
137 ADV 0.470085 0.894737
138 RBY 0.470085 0.894737
139 ARG AMP 0.469697 0.841463
140 4TA 0.467626 0.864198
141 48N 0.466165 0.884615
142 XAH 0.465116 0.851852
143 4UW 0.462687 0.897436
144 M24 0.461538 0.886076
145 IOT 0.459854 0.821429
146 T5A 0.456522 0.853659
147 EAD 0.455782 0.886076
148 MAP 0.455285 0.883117
149 BT5 0.453901 0.821429
150 A4P 0.452555 0.833333
151 UP5 0.451852 0.933333
152 PAP 0.445378 0.917808
153 AP0 0.445255 0.884615
154 4TC 0.445255 0.909091
155 YLP 0.444444 0.831325
156 P1H 0.443709 0.864198
157 AOC 0.442478 0.810811
158 Z5A 0.439189 0.833333
159 2A5 0.436975 0.857143
160 G A A A 0.43662 0.909091
161 COD 0.43662 0.802326
162 ADJ 0.435714 0.841463
163 YLC 0.434783 0.851852
164 YLB 0.434783 0.831325
165 U A G G 0.433566 0.921053
166 ATR 0.433333 0.90411
167 7MD 0.432836 0.851852
168 G5A 0.429752 0.790698
169 PO4 PO4 A A A A PO4 0.429688 0.943662
170 TAD 0.42963 0.873418
171 5AS 0.42735 0.770115
172 BTX 0.426573 0.831325
173 YLA 0.425532 0.831325
174 DSZ 0.425197 0.790698
175 NCN 0.424779 0.805556
176 UPA 0.42446 0.921053
177 VMS 0.424 0.8
178 54H 0.424 0.8
179 N0B 0.422819 0.853659
180 6AD 0.422764 0.85
181 AYB 0.422535 0.821429
182 7D3 0.422414 0.844156
183 YLY 0.421769 0.821429
184 TSB 0.420635 0.809524
185 ODP 0.41958 0.922078
186 AV2 0.419355 0.855263
187 FB0 0.419355 0.775281
188 A5A 0.419355 0.819277
189 NNR 0.419048 0.739726
190 A A A 0.418605 0.918919
191 LEU LMS 0.418605 0.793103
192 649 0.417266 0.775281
193 NMN AMP PO4 0.416667 0.933333
194 SSA 0.416 0.790698
195 P5A 0.415385 0.755556
196 LSS 0.414062 0.772727
197 A2R 0.412698 0.918919
198 52H 0.412698 0.790698
199 JB6 0.412214 0.896104
200 5N5 0.411215 0.783784
201 YSA 0.410448 0.811765
202 5CA 0.409449 0.790698
203 53H 0.409449 0.790698
204 ITT 0.408333 0.878378
205 7D4 0.408333 0.844156
206 NA7 0.407692 0.894737
207 5CD 0.407407 0.794521
208 0WD 0.406897 0.909091
209 A3P 0.40678 0.930556
210 AVV 0.40625 0.860759
211 RAB 0.40566 0.808219
212 ADN 0.40566 0.808219
213 XYA 0.40566 0.808219
214 FDA 0.405063 0.823529
215 GSU 0.40458 0.790698
216 7MC 0.404255 0.831325
217 NSS 0.403101 0.811765
218 6FA 0.402516 0.853659
219 NVA LMS 0.4 0.793103
220 PPS 0.4 0.817073
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1OWB; Ligand: NAD; Similar sites found: 213
This union binding pocket(no: 1) in the query (biounit: 1owb.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3S9K CIT 0.01073 0.44263 None
2 2E1A MSE 0.008817 0.41474 None
3 2Q37 3AL 0.01349 0.41619 1.10497
4 1WGC SIA GAL BGC 0.04916 0.41677 1.16959
5 2Q09 DI6 0.00443 0.42744 1.44231
6 3L6R MLI 0.01503 0.42479 1.44509
7 3VCA PRO 0.00154 0.45568 1.45631
8 9LDB OXM 0.008367 0.45918 1.50602
9 3IHB TRS 0.000008135 0.70111 1.63934
10 2ZJ5 ADP 0.01153 0.41928 1.63934
11 4HA6 PXM 0.02756 0.40206 1.63934
12 4W6Z ETF 0.004962 0.46292 1.72911
13 3B9Z CO2 0.004138 0.44545 1.80412
14 2FGQ MLT 0.0001484 0.51292 1.80723
15 3IB9 BTN 0.0004393 0.50347 1.87354
16 1FS5 16G 0.0009514 0.42633 1.8797
17 2VAR AMP 0.01443 0.40146 1.91693
18 2RCN GDP 0.008443 0.41109 1.95531
19 2P69 PLP 0.004213 0.43908 1.96078
20 1ULE GLA GAL NAG 0.01737 0.41625 2
21 2JFV FLC 0.002735 0.45385 2.06186
22 2NCD ADP 0.0165 0.41222 2.14286
23 2Q3M MLA 0.04965 0.41017 2.14724
24 1O68 KIV 0.01201 0.41359 2.18182
25 2DTJ THR 0.01185 0.405 2.24719
26 3R6K FUC GAL GLA 0.04631 0.40083 2.29508
27 1XX4 BAM 0.0007538 0.46946 2.29885
28 4KCT PYR 0.007626 0.41742 2.34192
29 1V5F FAD 0.01035 0.41541 2.34192
30 1V5F TPP 0.01035 0.41541 2.34192
31 2NVK NAP 0.01094 0.41537 2.34192
32 1Z42 HBA 0.003872 0.48673 2.36686
33 1Z44 NPO 0.01211 0.45919 2.36686
34 1Z44 FMN 0.005085 0.41153 2.36686
35 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.04197 0.40823 2.38095
36 2NZ2 ASP 0.00521 0.4295 2.42131
37 1GPJ CIT 0.03671 0.40089 2.47525
38 1WDA BAG 0.009857 0.41268 2.57611
39 3U1T MLI 0.003219 0.45726 2.589
40 2X2T GAL NGA 0.00672 0.45602 2.61438
41 4PTZ FMN 0.002735 0.41372 2.6178
42 3K3G MMU 0.0003981 0.48177 2.64706
43 2QV7 ADP 0.006014 0.4048 2.67062
44 2Q8H TF4 0.004823 0.46357 2.7027
45 1H8P PC 0.004562 0.46483 2.75229
46 1T3D CYS 0.01058 0.43221 2.76817
47 2Z9V PXM 0.01228 0.41317 2.80612
48 1TV5 N8E 0.0009534 0.4263 2.8103
49 3GTD MLI 0.01309 0.41679 2.8103
50 1TV5 ORO 0.003266 0.41284 2.8103
51 1TV5 A26 0.001513 0.40796 2.8103
52 3ZPG 5GP 0.003188 0.47298 2.87958
53 1RYI GOA 0.01934 0.44636 2.87958
54 2DWU DGL 0.002994 0.43466 2.89855
55 4B9E FAH 0.0153 0.42441 2.99003
56 4OYA 1VE 0.004164 0.41638 3.0445
57 4C2G ALA ALA ALA ALA 0.002847 0.43559 3.27869
58 3A1I UNU 0.005121 0.42004 3.27869
59 1E2S CSN 0.003445 0.4181 3.27869
60 2ZO9 MLI 0.01017 0.40567 3.28467
61 4MOB ADP 0.005376 0.40475 3.31325
62 3I6B KDO 0.01387 0.41085 3.33333
63 3NOJ PYR 0.0009986 0.46404 3.36134
64 2EB5 OXL 0.02228 0.41115 3.37079
65 2OHV NHL 0.003658 0.43097 3.40909
66 2QIA U20 0.002646 0.40017 3.43511
67 4M5P 23W 0.0355 0.41195 3.4398
68 2V5E SCR 0.0009016 0.49908 3.5
69 2ZWS PLM 0.001801 0.50657 3.51288
70 3L24 GOA 0.02663 0.42457 3.51288
71 4OB6 S2T 0.00727 0.40168 3.51906
72 1I1Q TRP 0.002176 0.44053 3.64583
73 4AF5 CIT 0.003301 0.45003 3.68421
74 1J2Z SOG 0.001153 0.4297 3.7037
75 2QLX RM4 0.01445 0.42562 3.7037
76 4B7E OGA 0.01061 0.42092 3.72493
77 1H2K OGA 0.02389 0.40973 3.72493
78 3P3N AKG 0.0285 0.4061 3.72493
79 1ZJ6 G3D 0.004273 0.41874 3.74332
80 1T10 F6P 0.005131 0.43521 3.74707
81 4IHQ ADP 0.00959 0.41319 3.74707
82 2XDQ MGX 0.0466 0.41164 3.74707
83 4B16 NAG 0.004764 0.47255 3.7594
84 2PFC PLM 0.01045 0.40318 3.82514
85 2ZJF BSU 0.0149 0.40089 3.8674
86 3PNA CMP 0.01955 0.4 3.8961
87 3NNF AKG 0.02085 0.41251 4.06977
88 1Y9Q MED 0.03065 0.40461 4.16667
89 4N69 SER 0.005231 0.44069 4.1958
90 1RYD GLC 0.006629 0.43587 4.21546
91 1P9B HDA 0.006689 0.43001 4.21546
92 1Y2W NAG 0.002144 0.45879 4.22535
93 1G6O ADP 0.0004279 0.41511 4.24242
94 2WCV FUC 0.00448 0.42723 4.28571
95 1QH9 LAC 0.03173 0.40389 4.31034
96 1G8S MET 0.001481 0.4663 4.34783
97 1NXJ GLV 0.006421 0.42059 4.37158
98 1NXJ TLA 0.004257 0.40854 4.37158
99 3R51 MMA 0.02148 0.4295 4.375
100 4COQ SAN 0.003796 0.4472 4.45344
101 1OGD RIP 0.005922 0.42706 4.58015
102 1ECM TSA 0.01439 0.40568 4.58716
103 3EJ0 11X 0.006303 0.42848 4.59184
104 1NML CIT 0.01723 0.40669 4.60123
105 3KP6 SAL 0.0249 0.40298 4.63576
106 4O8A 2OP 0.02183 0.42912 4.68384
107 1ZED PNP 0.03415 0.40736 4.68384
108 1A5Z FBP 0.01334 0.4232 4.70219
109 1ZS6 ADP 0.00417 0.42856 4.73373
110 2DVZ GLU 0.01041 0.40734 4.77707
111 4JCA CIT 0.02821 0.43017 4.79042
112 2IZ1 ATR 0.003371 0.44961 4.91803
113 2VDJ HSE 0.03559 0.41189 4.98339
114 2GJ3 FAD 0.00549 0.4032 5
115 3MD0 GDP 0.009137 0.41408 5.07042
116 1JGS SAL 0.01754 0.44994 5.07246
117 4Q3F TLA 0.0003244 0.49707 5.12821
118 1A8S PPI 0.01077 0.40466 5.12821
119 2GWD GLU 0.007205 0.41847 5.15223
120 2OKK ABU 0.03252 0.41389 5.15223
121 1NP0 NGT 0.02534 0.40852 5.17241
122 3RF4 FUN 0.02165 0.40232 5.17241
123 2WCI GSH 0.01762 0.41093 5.18518
124 1EJE FMN 0.004648 0.40162 5.20833
125 4LO6 SIA GAL 0.002207 0.46894 5.26316
126 3ZGE ASP 0.03671 0.4112 5.38642
127 4Q3S X7A 0.0008718 0.41058 5.45455
128 2FR6 CTN 0.004304 0.40282 5.47945
129 1GXU 2HP 0.002575 0.40027 5.49451
130 1Q3P GLU ALA GLN THR ARG LEU 0.003983 0.41158 5.50459
131 4F8L GAL 0.004428 0.48423 5.51724
132 1H0C AOA 0.004265 0.45134 5.61225
133 2PMP C5P 0.008539 0.40276 5.625
134 2HVK TBA 0.0145 0.41994 5.64516
135 2OWZ CIT 0.0007569 0.41796 5.72289
136 1Y7P RIP 0.02242 0.41103 5.8296
137 3BRE C2E 0.006405 0.43657 5.86592
138 1HFA PIO 0.00004807 0.60256 5.88235
139 2J5S KTA 0.004305 0.40282 6.08365
140 3O2K QRP 0.01458 0.40128 6.08899
141 3TO7 COA 0.0009048 0.40115 6.15942
142 1U3I GSH 0.01181 0.41882 6.16114
143 1NU4 MLA 0.01475 0.44568 6.18557
144 4K30 NLG 0.01542 0.40881 6.25
145 4HZO COA 0.007047 0.42375 6.28931
146 1B74 DGN 0.01696 0.42826 6.29921
147 2YLD CMO 0.01254 0.42291 6.29921
148 1H8G CHT 0.02659 0.43952 6.31579
149 3CEV ARG 0.006537 0.42027 6.35452
150 5D6C 57S 0.04051 0.41489 6.36364
151 3I0O SMI 0.01372 0.41587 6.48968
152 3F81 STT 0.02724 0.42404 6.55738
153 3PMA SCR 0.007379 0.42287 6.56371
154 2O66 FLC 0.002534 0.44906 6.66667
155 1PEA ACM 0.02057 0.42401 6.75325
156 1QO0 BMD 0.02564 0.40827 6.75325
157 1KC7 PPR 0.01266 0.42841 6.79157
158 4N7C AEF 0.01793 0.42106 6.81818
159 3FS8 TDR 0.00341 0.4082 6.95971
160 1T0S BML 0.008942 0.44229 6.97674
161 1FWE HAE 0.00351 0.43173 7
162 4WVH ASP HIS ASP ALA HIS ALA 0.002059 0.44155 7.02576
163 2OFE NAG 0.002101 0.4592 7.04225
164 2OFD NGA 0.00248 0.45584 7.04225
165 2BO4 FLC 0.004396 0.45071 7.0529
166 3UEC ALA ARG TPO LYS 0.02586 0.41328 7.53425
167 2XI7 XI7 0.01976 0.44697 7.6087
168 3KPE TM3 0.002408 0.45644 7.69231
169 1GJW GLC 0.01272 0.42831 7.72834
170 3LTW HLZ 0.005223 0.44072 7.85714
171 3I8T LBT 0.003206 0.43872 7.92683
172 2GN2 C5P 0.001652 0.42178 8.18713
173 1H16 PYR 0.00754 0.44602 8.19672
174 1H16 DTL 0.04754 0.41118 8.19672
175 2C5S AMP 0.01437 0.40571 8.19672
176 3T2W BTN 0.01423 0.40172 8.19672
177 4JWX 1N4 0.004623 0.43177 8.21429
178 2W3L DRO 0.04981 0.41009 8.33333
179 2BZ1 TAU 0.04737 0.42493 8.67347
180 4DN8 BMA 0.0002462 0.50266 8.97436
181 1JAC AMG 0.006204 0.46628 9.02256
182 4G28 0W8 0.00625 0.42109 9.39597
183 4P9Z NMI PTR 02K ASN NH2 0.007975 0.4214 9.40171
184 1DUC DUD 0.0001441 0.44859 9.70149
185 4M7F BM3 0.00136 0.45501 9.73451
186 4IEN GDP 0.0004311 0.40992 10.4294
187 3W54 RNB 0.004826 0.41241 10.9422
188 2HW1 FRU 0.02757 0.40205 11.0738
189 1JOT GAL A2G 0.004568 0.42208 11.2782
190 2P8O BVA 0.004677 0.40514 11.3402
191 1SS4 GSH 0.003744 0.48483 11.7647
192 1F7K UMP 0.0008469 0.41098 12.5
193 1LTH NAD 0.001304 0.40925 12.5392
194 1YOA FMN 0.004776 0.48236 12.5786
195 1Y75 NAG 0.01229 0.4086 12.7119
196 4F4S EFO 0.01333 0.41159 13.1579
197 3QDW NDG 0.001326 0.4759 13.2867
198 3QDY CBS 0.001595 0.47203 13.2867
199 3QDY A2G GAL 0.003757 0.46125 13.2867
200 3QDW A2G 0.008045 0.45193 13.2867
201 3QDT A2G GAL 0.03334 0.41334 13.2867
202 4NTX AMR 0.009838 0.41986 13.3333
203 4M51 BEZ 0.0119 0.43604 13.8173
204 1XX6 ADP 0.01147 0.40559 14.1361
205 1SC3 MLI 0.001901 0.47611 14.7727
206 1AX2 NDG GAL 0.00402 0.43443 15.0628
207 4K7O EKZ 0.03724 0.4055 15.4762
208 1LDM OXM 0.00226 0.43466 16.1094
209 1UFY MLI 0.008221 0.4315 17.2131
210 2JGS BTN 0.01721 0.40901 20
211 2JBH 5GP 0.01936 0.40019 20
212 1WKL ATP 0.000215 0.44949 21.8978
213 3NGU ADP 0.00655 0.40724 28.4768
Pocket No.: 2; Query (leader) PDB : 1OWB; Ligand: NAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1owb.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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