Receptor
PDB id Resolution Class Description Source Keywords
4GLL 2.5 Å EC: 4.1.1.35 CRYSTAL STRUCTURE OF HUMAN UDP-XYLOSE SYNTHASE. HOMO SAPIENS SHORT-CHAIN DEHYDROGENASE/REDUCTASE DECARBOXYLASE LYASE M
Ref.: HUMAN UDP-ALPHA-D-XYLOSE SYNTHASE AND ESCHERICHIA C CONSERVE A CONFORMATIONAL SHUNT THAT CONTROLS WHETH OR 4-KETO-XYLOSE IS PRODUCED. BIOCHEMISTRY V. 51 8844 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GAI A:801;
B:502;
Invalid;
Invalid;
none;
none;
submit data
59.07 C H5 N3 C(=N)...
NAD A:800;
B:501;
Valid;
Valid;
none;
none;
submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
SO4 A:802;
B:503;
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
4GLL 2.5 Å EC: 4.1.1.35 CRYSTAL STRUCTURE OF HUMAN UDP-XYLOSE SYNTHASE. HOMO SAPIENS SHORT-CHAIN DEHYDROGENASE/REDUCTASE DECARBOXYLASE LYASE M
Ref.: HUMAN UDP-ALPHA-D-XYLOSE SYNTHASE AND ESCHERICHIA C CONSERVE A CONFORMATIONAL SHUNT THAT CONTROLS WHETH OR 4-KETO-XYLOSE IS PRODUCED. BIOCHEMISTRY V. 51 8844 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4GLL - 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 4GLL - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50% 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 4GLL - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
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 : 4GLL; Ligand: NAD; Similar sites found: 507
This union binding pocket(no: 1) in the query (biounit: 4gll.bio1) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5L53 NAP 0.00000008106 0.62084 1.23457
2 3U4C NDP 0.00001032 0.50248 1.42349
3 2HK9 ATR 0.002426 0.46091 1.45455
4 2HK9 NAP 0.005684 0.40157 1.45455
5 2AG5 NAD 0.0000007734 0.5411 1.62602
6 1WP4 NDP 0.001321 0.42396 1.7301
7 1LUA NAP 0.009393 0.40624 1.74216
8 4M37 SAH 0.001353 0.44689 1.78042
9 4M38 SAH 0.003001 0.42798 1.78042
10 2JJQ SAH 0.01097 0.41967 1.78042
11 1SQF SAM 0.01163 0.4082 1.78042
12 1ZGA SAH 0.01885 0.40818 1.78042
13 2DKH FAD 0.001401 0.40806 1.78042
14 4KCT FDP 0.03001 0.4016 1.78042
15 1SOW NAD 0.0001004 0.45419 1.82927
16 1GV0 NAD 0.00006131 0.46897 1.93548
17 3SSO SAH 0.002206 0.43384 2.07715
18 5F8F SFG 0.0114 0.41525 2.07715
19 3FGC FMN 0.01065 0.40682 2.07715
20 1U8X NAD 0.004486 0.40569 2.07715
21 4JBI NDP 0.006436 0.40201 2.07715
22 3BAZ NAP 0.000871 0.43737 2.1021
23 9LDT NAD 0.0001191 0.45469 2.10843
24 9LDB NAD 0.0001267 0.45368 2.10843
25 1LDM NAD 0.0001249 0.45723 2.12766
26 2WK1 SAH 0.0104 0.40429 2.12766
27 1I9G SAM 0.004692 0.41947 2.14286
28 2RH4 EMO 0.00000006534 0.49373 2.16606
29 3EVG SAH 0.01341 0.40536 2.18182
30 1LTH NAD 0.00007429 0.48495 2.19436
31 3A27 SAM 0.007414 0.41713 2.20588
32 4ITU NAI 0.00000001434 0.58746 2.23048
33 4ITU 1HS 0.00000003914 0.51467 2.23048
34 2XKO AKG 0.04311 0.40535 2.25225
35 4OSP NAP 0.00000001635 0.61061 2.28137
36 1BW9 NAD 0.000963 0.44588 2.37389
37 1C1X NAD 0.001817 0.4214 2.37389
38 1BXG NAD 0.002724 0.41437 2.37389
39 1SC6 NAD 0.001421 0.41186 2.37389
40 1WDI CIT 0.03367 0.41011 2.37389
41 3SQP FAD 0.04612 0.40621 2.37389
42 1HKU NAD 0.002437 0.40568 2.37389
43 4KRG SAH 0.02009 0.40348 2.37389
44 4XQC NAD 0.000185 0.40122 2.37389
45 4DPL NAP 0.003944 0.40025 2.37389
46 4PLG NAI 0.0001207 0.42848 2.39521
47 2EWM NAD 0.00000001427 0.60122 2.40964
48 2A92 NAI 0.0007197 0.42272 2.49221
49 3LKZ SFG 0.01384 0.40172 2.49221
50 1EZ4 NAD 0.0002583 0.45526 2.51572
51 1TDF NAP 0.009481 0.40992 2.53165
52 1TDF FAD 0.0046 0.40762 2.53165
53 5KKA 6V0 0.0004337 0.43082 2.5641
54 3MJE NDP 0.0000000009166 0.65225 2.62097
55 3LGS ADE 0.04831 0.40224 2.62172
56 2FR1 NDP 0.0000000106 0.60041 2.67062
57 4DCM SAM 0.006749 0.4261 2.67062
58 2IZ1 ATR 0.01619 0.4253 2.67062
59 4CJN QNZ 0.02158 0.42245 2.67062
60 2TOH HBI 0.02629 0.41657 2.67062
61 2Y6Q FAD 0.001403 0.41205 2.67062
62 2QA1 FAD 0.0009495 0.406 2.67062
63 4USQ FAD 0.00163 0.40182 2.67062
64 4ZGS NAD 0.0006173 0.40075 2.67062
65 5EPO NAP 0.00002216 0.48576 2.67176
66 1QG6 NAD 0.00001076 0.43896 2.68199
67 1QG6 TCL 0.00001076 0.43896 2.68199
68 1RYO OXL 0.02326 0.41804 2.75229
69 4ZA2 NAD 0.0000002332 0.56604 2.7668
70 4CLO NAP 0.00000006424 0.59336 2.77778
71 4CME NAP 0.00000006464 0.58756 2.77778
72 3BMQ NAP 0.00000005121 0.58589 2.77778
73 3JQF NAP 0.00000006195 0.58275 2.77778
74 4CM9 NAP 0.0000000649 0.58198 2.77778
75 3JQG NAP 0.0000001327 0.58098 2.77778
76 3JQB NAP 0.0000001413 0.57992 2.77778
77 3JQ8 NAP 0.00000008122 0.57828 2.77778
78 4CLR NAP 0.0000001152 0.57786 2.77778
79 4CM4 NAP 0.0000001195 0.57724 2.77778
80 5JDI NAP 0.0000001278 0.57612 2.77778
81 3BMO NAP 0.000000138 0.57484 2.77778
82 4CM8 NAP 0.0000001461 0.57388 2.77778
83 3BMN NAP 0.0000001073 0.57369 2.77778
84 3JQ9 NAP 0.0000001076 0.57363 2.77778
85 5JCJ NAP 0.000000153 0.5731 2.77778
86 4CMI NAP 0.0000001868 0.56975 2.77778
87 4RDH AMP 0.002112 0.45009 2.77778
88 5JDI 6JO 0.009145 0.44257 2.77778
89 4RDI ATP 0.003546 0.43175 2.77778
90 5JCJ 6JM 0.01939 0.42316 2.77778
91 4CME KTZ 0.02124 0.41285 2.77778
92 3BMO AX4 0.02987 0.41228 2.77778
93 4CM4 4NR 0.03539 0.40913 2.77778
94 1T26 NAI 0.0002388 0.40081 2.79503
95 1ZQ9 SAM 0.009597 0.41201 2.80702
96 5E9W SAH 0.02113 0.40925 2.88462
97 4D79 ATP 0.002189 0.4413 2.89855
98 1HYH NAD 0.0007131 0.42563 2.91262
99 3ABI NAD 0.0001675 0.45239 2.96736
100 2CVQ NDP 0.0002728 0.44756 2.96736
101 1ZMD NAI 0.0005894 0.44427 2.96736
102 3OJO NAD 0.002225 0.42698 2.96736
103 4DMG SAM 0.01078 0.42386 2.96736
104 4J36 FAD 0.0005644 0.42199 2.96736
105 1A99 PUT 0.02072 0.42061 2.96736
106 3TTM PUT 0.02213 0.41567 2.96736
107 3L9W AMP 0.001811 0.4105 2.96736
108 3L9W GSH 0.00306 0.40698 2.96736
109 3AY6 NAI 0.0000002086 0.52045 2.97398
110 3AY6 BGC 0.0000006857 0.44901 2.97398
111 1W6U NAP 0.000000003156 0.66588 2.98013
112 1W73 NAP 0.000000003527 0.66388 2.98013
113 1W8D NAP 0.000000003533 0.66385 2.98013
114 2WD7 NAP 0.0000001168 0.57764 2.98507
115 4K5S FAD 0.002215 0.40082 2.98507
116 4MDH NAD 0.00001649 0.49874 2.99401
117 5MDH NAD 0.00002561 0.49123 3.003
118 1I0Z NAI 0.00004417 0.47438 3.003
119 1CER NAD 0.001051 0.4309 3.02115
120 3RKR NAP 0.002233 0.46274 3.05344
121 3OID NDP 0.0000003634 0.53717 3.10078
122 3JQA NAP 0.0000000995 0.5859 3.125
123 5JDC NAP 0.0000001674 0.57159 3.125
124 3JQ7 NAP 0.0000002617 0.5694 3.125
125 5K6A NAP 0.00000007542 0.55972 3.125
126 1GZ6 NAI 0.0000003069 0.55143 3.1348
127 4FN4 NAD 0.00000002214 0.59972 3.14961
128 3SJ7 NDP 0.000000003826 0.63497 3.1746
129 4HXY NDP 0.000000002415 0.63006 3.19635
130 4U60 SIA GAL NGA 0.04413 0.40805 3.21429
131 2UYQ SAM 0.002894 0.47067 3.2641
132 4ISS TAR 0.02875 0.41329 3.2641
133 2VHW NAI 0.002477 0.40785 3.2641
134 5JAQ NAI 0.000548 0.40177 3.2641
135 3Q9T FAY 0.0005933 0.40109 3.2641
136 2BD0 NAP 0.00000004433 0.57756 3.27869
137 1O6Z NAD 0.0003943 0.45495 3.30033
138 2BKA NDP 0.00001912 0.49213 3.30579
139 5JE8 NAD 0.0009102 0.43659 3.31126
140 1CKN GTP 0.04159 0.40139 3.33333
141 1B8U NAD 0.0001104 0.49076 3.34347
142 1B8U OAA 0.001442 0.41162 3.34347
143 1ZBQ NAD 0.00000009735 0.565 3.36391
144 1M1B SPV 0.04954 0.40263 3.38983
145 3GU3 SAH 0.007879 0.43487 3.52113
146 1GUZ NAD 0.00009705 0.44465 3.54839
147 1V59 NAD 0.00141 0.46779 3.55649
148 1Z6Z NAP 0.000001393 0.5314 3.56083
149 4J7U NAP 0.000002508 0.46139 3.56083
150 4J7U YTZ 0.000002508 0.46139 3.56083
151 1X87 NAD 0.000365 0.46008 3.56083
152 4KBA 1QM 0.02348 0.41451 3.56083
153 1H9A NAP 0.0007566 0.41322 3.56083
154 2GVC FAD 0.001073 0.4121 3.56083
155 4R5M NAP 0.002349 0.41143 3.56083
156 1VQW FAD 0.001272 0.40945 3.56083
157 3S5W FAD 0.002035 0.40861 3.56083
158 2GV8 FAD 0.001287 0.40523 3.56083
159 4K7O EKZ 0.03236 0.41168 3.57143
160 1DXY NAD 0.0008028 0.43558 3.6036
161 1PZG A3D 0.0000986 0.43107 3.62538
162 2PD4 DCN 0.00002801 0.46007 3.63636
163 2PD4 NAD 0.00002997 0.45787 3.63636
164 2VDV SAM 0.009092 0.42364 3.65854
165 1M26 GAL A2G 0.01558 0.41621 3.7594
166 1WS4 GYP 0.01348 0.41535 3.7594
167 1UGY GLA GLC 0.01502 0.41 3.7594
168 1JAC AMG 0.01239 0.40646 3.7594
169 1KUJ MMA 0.01031 0.40585 3.7594
170 3O03 NAP 0.00000001808 0.62125 3.78007
171 3AI3 SOL 0.0308 0.41231 3.80228
172 1U7T NAD 0.000000001673 0.65558 3.83142
173 1E3W NAD 0.000000004535 0.62588 3.83142
174 1U7T TDT 0.00000001461 0.53187 3.83142
175 2WYV NAD 0.00001835 0.48887 3.83142
176 1E6W NAD 0.000000003537 0.62997 3.84615
177 4XFR CIT 0.01005 0.43897 3.85757
178 5CAE COA 0.001181 0.43523 3.85757
179 1MUU NAD 0.001882 0.42376 3.85757
180 1MV8 NAD 0.001624 0.42335 3.85757
181 3UCL NAP 0.00642 0.41567 3.85757
182 3UCL FAD 0.005843 0.41546 3.85757
183 3UCL CYH 0.005843 0.41546 3.85757
184 1BZL FAD 0.01618 0.41015 3.85757
185 4B7X NAP 0.001518 0.40286 3.86905
186 1RP0 AHZ 0.001206 0.41447 3.87324
187 1UXG NAD 0.0001281 0.42482 3.8835
188 4E13 NAD 0.0008314 0.45239 3.88693
189 1EJ0 SAM 0.01607 0.40175 3.88889
190 4KOA NDP 0.008737 0.41723 3.9039
191 4E5N NAD 0.0009257 0.4214 3.93939
192 2GCO GNP 0.01635 0.40451 3.9801
193 2CFC NAD 0.00000001734 0.60962 4
194 1F3L SAH 0.005225 0.41431 4.04984
195 4XSH GSP 0.01712 0.4005 4.10959
196 1SNY NAP 0.000001991 0.53968 4.11985
197 3WV8 ATP 0.0002758 0.47772 4.12844
198 3ICT ADP 0.0003891 0.49553 4.1543
199 3ICS ADP 0.0006175 0.48558 4.1543
200 1E5Q NDP 0.0006242 0.43367 4.1543
201 5DNK SAH 0.01501 0.42058 4.1543
202 4EIP K2C 0.004994 0.40623 4.1543
203 1XVB BHL BHL 0.0383 0.40558 4.1543
204 4N49 SAM 0.01178 0.40191 4.1543
205 3H4V DVP 0.00000008856 0.50491 4.16667
206 3H4V NAP 0.0000004254 0.48924 4.16667
207 3KB6 NAD 0.001126 0.42668 4.19162
208 2HXW FLC 0.03254 0.41101 4.21941
209 3HB5 NAP 0.0000009829 0.44948 4.28135
210 3WXB NDP 0.0000001814 0.55996 4.30108
211 2CUL FAD 0.0004395 0.41734 4.31034
212 4K26 NDP 0.0000001435 0.56377 4.34783
213 1MXH DHF 0.0000002602 0.51122 4.34783
214 1MXH NAP 0.0000002747 0.51044 4.34783
215 4K26 SFF 0.0000008798 0.48917 4.34783
216 1WMA AB3 0.000001729 0.46123 4.34783
217 1WMA NDP 0.000001729 0.46123 4.34783
218 1OMO NAD 0.003092 0.41791 4.34783
219 3C1O NAP 0.0002213 0.41843 4.36137
220 1JA9 NDP 0.0000002936 0.54737 4.37956
221 1A5Z NAD 0.0004543 0.4599 4.38871
222 4PIV NDP 0.0000003635 0.53918 4.45104
223 1LVL NAD 0.0006569 0.45687 4.45104
224 5L2R MLA 0.0197 0.42114 4.45104
225 2WPF FAD 0.01198 0.41529 4.45104
226 2WPF WPF 0.01375 0.41403 4.45104
227 3B20 NAD 0.005018 0.40919 4.45104
228 3QH2 3NM 0.04009 0.40609 4.45104
229 5DX0 SFG 0.005551 0.40463 4.45104
230 5DXA SFG 0.008544 0.40229 4.45104
231 5DWQ SFG 0.007372 0.40225 4.45104
232 5DX8 SFG 0.008776 0.4018 4.45104
233 1FWV SGA MAG FUC 0.01781 0.42381 4.47761
234 1V6A TRE 0.003636 0.4626 4.51807
235 1HDG NAD 0.005275 0.40553 4.51807
236 1V35 NAI 0.000008128 0.45133 4.55927
237 4EBZ NAG NAG NAG NAG 0.03224 0.40725 4.71698
238 1J5P NAD 0.001307 0.42415 4.74308
239 4C4A SAH 0.001716 0.44228 4.74777
240 3I6I NDP 0.0001439 0.42282 4.74777
241 2BRY FAD 0.002607 0.40343 4.74777
242 3DMH SAM 0.0109 0.4034 4.74777
243 3PT9 SAH 0.01566 0.40228 4.74777
244 3JV7 NAD 0.003568 0.40191 4.74777
245 1RYI FAD 0.005459 0.40015 4.74777
246 4O1M NAD 0.0000222 0.48572 4.7619
247 3ORF NAD 0.0000007587 0.54625 4.78088
248 2DBZ NAP 0.001154 0.40667 4.79042
249 3B1F NAD 0.0004655 0.45944 4.82759
250 1A27 NAP 0.000004634 0.51157 4.84429
251 2EXX NAP 0.000383 0.42523 4.90196
252 2DTX BMA 0.00000003257 0.5337 4.92424
253 1RYH GNP 0.01887 0.40815 4.92611
254 5L4L NAP 0.000006315 0.52926 4.93421
255 5L4L 7OX 0.000197 0.42269 4.93421
256 4MIG G3F 0.002621 0.41889 4.93827
257 5GT9 NAP 0.000000634 0.53966 4.94297
258 1G0N NDP 0.0000003379 0.55598 4.947
259 1G0N PHH 0.0000005124 0.55389 4.947
260 1XG5 NAP 0.000001193 0.5294 5.01792
261 4Q9N NAI 0.000006551 0.50175 5.03356
262 3V1U NAD 0.000000004318 0.65304 5.04451
263 2V6G NAP 0.00002146 0.48249 5.04451
264 1PL6 NAD 0.0006841 0.4561 5.04451
265 4FC7 COA 0.00000005909 0.50659 5.05415
266 4FC7 NAP 0.00000005909 0.50659 5.05415
267 2B4Q NAP 0.0000003328 0.55502 5.07246
268 2DC1 NAD 0.0009929 0.42883 5.08475
269 3ICC NAP 0.0000001827 0.55495 5.09804
270 1AE1 NAP 0.0000005968 0.53794 5.12821
271 5F5N NAD 0.00002519 0.49565 5.19031
272 2DT5 NAD 0.001249 0.42203 5.21327
273 3MBI HSX 0.02839 0.41017 5.22648
274 1PR9 NAP 0.00000007654 0.57089 5.32787
275 3D3W NAP 0.00000009819 0.55768 5.32787
276 1DJN ADP 0.0006615 0.44919 5.34125
277 3X0D SAH 0.003343 0.42934 5.34125
278 2YVJ NAI 0.00533 0.42368 5.34125
279 5L4S NAP 0.00000136 0.4936 5.34591
280 5L4S 6KX 0.00000136 0.4936 5.34591
281 1LDN NAD 0.00009362 0.45218 5.37975
282 2ZAT NAP 0.0000001541 0.56771 5.38462
283 2AE2 NAP 0.0000002595 0.56359 5.38462
284 2AE2 PTO 0.0000002595 0.5015 5.38462
285 5U5G NAP 0.003116 0.40668 5.42373
286 3VZS NAP 0.0000000255 0.5081 5.44747
287 3VZS CAA 0.00000009997 0.42485 5.44747
288 4O0L NDP 0.00000003618 0.58613 5.45455
289 4MJ0 SIA SIA 0.04435 0.4044 5.45455
290 4D3F NAP 0.001242 0.44113 5.48387
291 5THQ NDP 0.000000005048 0.60115 5.51471
292 4NBU NAI 0.000000002956 0.62678 5.6
293 4J1Q NDP 0.000000000339 0.62644 5.63798
294 1Y1P NMN AMP PO4 0.0000001923 0.59825 5.63798
295 1XSE NDP 0.00000009761 0.5128 5.63798
296 3OIG NAD 0.000005806 0.51654 5.6391
297 2JAP NDP 0.00000003313 0.58756 5.66802
298 2JAH NDP 0.0000001112 0.56791 5.66802
299 1ZEM NAD 0.00000000185 0.66081 5.72519
300 4CQM NAP 0.0000000042 0.62714 5.7377
301 2BGM NAJ 0.000000001804 0.59848 5.7554
302 1OAA OAA 0.000000568 0.47595 5.79151
303 4JK3 NAD 0.002866 0.41348 5.79151
304 5ITV NAI 0.00000001185 0.60424 5.88235
305 2WSB NAD 0.00000006991 0.58524 5.90551
306 1WDK NAD 0.001621 0.43278 5.93472
307 4USR FAD 0.002416 0.40465 5.93472
308 1VL8 NAP 0.00000002373 0.57918 5.99251
309 1JNR FAD 0.003005 0.43222 6
310 3LZW FAD 0.0006502 0.40069 6.0241
311 5N2I NAP 0.004128 0.42191 6.03448
312 1XKQ NDP 0.0000003188 0.53989 6.07143
313 1DQN IMU 0.02279 0.4152 6.08696
314 5X20 NAD 0.004497 0.40836 6.08974
315 3A4T SFG 0.006261 0.41093 6.20438
316 1FK8 NAD 0.00000009782 0.59795 6.22568
317 3H8V ATP 0.00056 0.46826 6.23145
318 4OOE NDP 0.002083 0.41902 6.23145
319 3NJ4 AFX 0.03718 0.40062 6.23145
320 2NU8 COA 0.00484 0.40437 6.25
321 2DKN NAI 0.00000001823 0.60878 6.27451
322 1HYE NAP 0.001417 0.43524 6.38978
323 3ZV6 NAD 0.0000001542 0.50272 6.40569
324 3ZV6 4HB 0.0000001695 0.49646 6.40569
325 4FBL SPD 0.01413 0.4261 6.40569
326 2F1K NAP 0.001608 0.42352 6.45161
327 1FEC FAD 0.004165 0.4093 6.52819
328 3A2Q ACA ACA 0.01945 0.40097 6.52819
329 5JWC FAD 0.001431 0.4001 6.52819
330 1NW5 SAM 0.01363 0.40202 6.58307
331 3OA2 NAD 0.0008852 0.42781 6.60377
332 1J49 NAD 0.001392 0.42021 6.60661
333 1GEG NAD 0.00000003942 0.5902 6.64062
334 3G2O SAM 0.01246 0.40683 6.68896
335 1D7O NAD 0.00001732 0.45776 6.73401
336 1IY8 NAD 0.000000005823 0.61577 6.74157
337 2G5C NAD 0.002785 0.406 6.76157
338 5VN0 NAI 0.001431 0.42554 6.82493
339 1PS9 FAD 0.001241 0.42473 6.82493
340 5HV7 RBL 0.0233 0.40647 6.82493
341 1GEE NAD 0.00000004133 0.58942 6.89655
342 1NFQ NAI 0.00000001096 0.59987 6.92308
343 1KYQ NAD 0.0001504 0.49928 6.93431
344 3CH6 311 0.000001094 0.41305 6.99301
345 3CH6 NAP 0.000001094 0.41305 6.99301
346 4EUE NAI 0.00009895 0.45442 7.12166
347 3OJF NDP 0.00000456 0.48682 7.393
348 3OJF IMJ 0.000008049 0.45153 7.393
349 3OFK SAH 0.004444 0.43092 7.40741
350 1VKO NAD 0.001036 0.4169 7.4184
351 1JAY NAP 0.004662 0.41644 7.54717
352 4KWI NAP 0.0000000749 0.5174 7.60456
353 4KWI 1TJ 0.00000008277 0.51068 7.60456
354 3BF1 PAU 0.0257 0.40498 7.63052
355 3AB4 LYS 0.01242 0.42079 7.71513
356 3AB4 THR 0.03564 0.40494 7.71513
357 1X14 NAD 0.0168 0.40396 7.71513
358 5DN9 NAD 0.001982 0.40265 7.71513
359 5MQ6 NDP 0.009137 0.40106 7.71513
360 5T9E NAP 0.003076 0.41225 7.74908
361 3A28 NAD 0.00000001583 0.60525 7.75194
362 1HDO NAP 0.0000006165 0.52249 7.76699
363 4K28 NAD 0.002605 0.41801 7.80669
364 1O94 ADP 0.000911 0.43989 7.8125
365 1N5D NDP 0.0000003433 0.54961 7.98611
366 4CP8 MLI 0.03067 0.41379 8.00821
367 3TN7 NJP 0.0000002893 0.55239 8.01187
368 1XHL NDP 0.0000002197 0.552 8.01187
369 3V1Y NAD 0.002377 0.41673 8.01187
370 2I3G NAP 0.001338 0.41542 8.01187
371 4PPF FLC 0.03093 0.4111 8.01187
372 1VJT NAD 0.01252 0.40367 8.01187
373 5BW4 SAM 0.01794 0.40262 8.2397
374 1JOT GAL A2G 0.01244 0.40638 8.27068
375 1BDB NAD 0.0000001096 0.55577 8.30325
376 2CDU ADP 0.0001565 0.49848 8.30861
377 2HMT NAI 0.0002571 0.47051 8.33333
378 1DRV A3D 0.004346 0.41775 8.42491
379 1O5I NAD 0.0001244 0.49314 8.43373
380 3AFN NAP 0.0000001232 0.56325 8.52713
381 1PZM 5GP 0.02441 0.41363 8.53081
382 3QV1 NAD 0.001482 0.42798 8.53659
383 4II2 ATP 0.001453 0.44178 8.58896
384 3O26 NDP 0.0000002294 0.54202 8.68167
385 4NBT NAD 0.00000001077 0.61761 8.75
386 1ZK4 NAP 0.0000001277 0.53414 8.76494
387 3NBC LAT 0.04068 0.4048 8.78378
388 5E8J SAH 0.01808 0.40906 9.09091
389 1YS4 NAP 0.007021 0.40879 9.19881
390 2GDZ NAD 0.00000001695 0.58263 9.3633
391 5H81 NAP 0.001817 0.43404 9.51157
392 1FNZ A2G 0.04362 0.40209 9.70464
393 4YSX MLI 0.03506 0.40986 9.92908
394 2BH9 NAP 0.003186 0.44161 10.089
395 2DFV NAD 0.003955 0.40523 10.089
396 2JL1 NAP 0.00003468 0.50787 10.1045
397 1UJ5 5RP 0.02242 0.40796 10.1322
398 2JK0 ASP 0.04125 0.4054 10.1538
399 2HJR APR 0.000004988 0.53865 10.3659
400 3GFB NAD 0.004157 0.40438 10.3858
401 1P31 EPU 0.01565 0.40228 10.3858
402 3NUG NAD 0.000000001786 0.62305 10.5263
403 4D42 W0I 0.00001199 0.5114 10.6383
404 4D42 NAP 0.00001199 0.5114 10.6383
405 1LSS NAD 0.0002373 0.47622 10.7143
406 2GL0 ADN 0.03012 0.41284 10.7784
407 1DSS NAD 0.002115 0.4217 10.8108
408 2F5Z FAD 0.005799 0.40103 10.9375
409 5LD5 NAD 0.003583 0.41824 10.9792
410 1E6E FAD 0.001088 0.40066 10.9792
411 1Q7B NAP 0.00000007002 0.58073 11.0656
412 4YAG NAI 0.00000007856 0.50595 11.0727
413 1UP7 NAD 0.003336 0.41364 11.276
414 4NBW NAD 0.00000000448 0.63878 11.284
415 4QED NAP 0.00000005159 0.58577 11.2903
416 1H5Q NAP 0.00000001786 0.59758 11.3208
417 3GEG NAD 0.00000003979 0.60153 11.336
418 1P77 ATR 0.00834 0.44285 11.3971
419 1NYT NAP 0.006892 0.4008 11.4391
420 2VUT NAD 0.01169 0.40206 11.6279
421 2BOS GLA GAL GLC 0.008684 0.44478 11.7647
422 2BOS GLA GAL 0.01082 0.43613 11.7647
423 3QWI NAP 0.0000002763 0.54834 11.8519
424 3QWI CUE 0.0000006462 0.48462 11.8519
425 1MO9 FAD 0.0129 0.40819 11.8694
426 1MO9 KPC 0.01704 0.40363 11.8694
427 4NEC SAH 0.01479 0.40985 12.1212
428 1EDO NAP 0.00000003359 0.58199 12.2951
429 3DXY SAM 0.01087 0.42368 12.3853
430 3SJU NDP 0.00000002162 0.59448 12.5448
431 1UZN NAP 0.00001388 0.41768 12.5506
432 3EGI ADP 0.009842 0.43899 12.6214
433 1X1T NAD 0.0000007448 0.52607 12.6923
434 1C3M MAN MAN 0.0295 0.40004 12.9252
435 4NZ6 DLY 0.03975 0.40998 13.099
436 4NZ6 DGL 0.04942 0.40327 13.099
437 2Q2V NAD 0.0000002238 0.55367 13.3333
438 1YXM ADE 0.000004112 0.6312 13.5314
439 3RJ5 NAD 0.00000003985 0.53844 13.7795
440 3AD8 NAD 0.001233 0.41674 13.7931
441 3AD8 FAD 0.007367 0.412 13.7931
442 5T2U NAP 0.00000004469 0.56978 14.9194
443 4M1U A2G MBG 0.01771 0.43268 15.7143
444 3B1J NAD 0.002959 0.405 16
445 4U7W NDP 0.00000001506 0.6181 16.0237
446 5L95 AMP 0.0002624 0.47868 16.25
447 5MSO NAP 0.000000003817 0.64824 16.3205
448 1U1I NAD 0.001514 0.40316 16.3205
449 4JEJ 1GP 0.01866 0.41196 16.3934
450 1GR0 NAD 0.0003824 0.42389 16.6172
451 3VPH NAD 0.0005819 0.42195 16.7742
452 3VPH OXM 0.0007205 0.41069 16.7742
453 4YEE 4CQ 0.01987 0.42268 17.7778
454 1Y8Q ATP 0.001703 0.42864 18.1009
455 5FA5 MTA 0.005455 0.4305 18.3976
456 4GQB 0XU 0.004182 0.41247 18.3976
457 1UAY ADN 0.000002731 0.59456 18.595
458 1VL0 NAI 0.00000001445 0.56407 21.9178
459 4TQG NDP 0.000000001407 0.65174 21.9814
460 3MQ2 SAH 0.01906 0.40139 24.3119
461 2PV7 NAD 0.0004382 0.44279 25.1678
462 4PVD NDP 0.00000009692 0.53953 25.5193
463 3RFV NAI 0.0000000002119 0.69082 26.2172
464 3RFV 15L 0.0000001401 0.58573 26.2172
465 2Q46 NAP 0.0000006901 0.54784 26.4822
466 3WMX NAD 0.000000009078 0.63321 26.7062
467 4R1S NAP 0.000000001712 0.66216 28.7834
468 2YY7 NAD 0.00000001482 0.60061 30.4487
469 3A4V PYR 0.00000000234 0.59055 30.5994
470 3A4V NAD 0.00000000234 0.59055 30.5994
471 2X6T NAP 0.000000004005 0.62793 31.454
472 1EQ2 NAP 0.000000005537 0.62258 32.9032
473 2C29 NAP 0.0000000918 0.49728 32.9377
474 2C29 DQH 0.000000364 0.48014 32.9377
475 1N7G GDR 0.00000001991 0.46511 38.5757
476 1N7G NDP 0.00000001591 0.4303 38.5757
477 1RPN NDP 0.000000005551 0.57837 39.1045
478 1RKX NAD 0.000000000139 0.67639 39.4659
479 1I2B NAD 0.000000001197 0.49968 40.0593
480 2PZM NAD 0.00000000004335 0.71337 40.303
481 2PZM UDP 0.00000000004335 0.71337 40.303
482 1Z45 NAD 0.000000000001434 0.75882 40.3561
483 5IN4 GDP 0.0000001514 0.65128 40.3561
484 5IN4 NAP 0.0000001634 0.65128 40.3561
485 5IN4 6CK 0.0000001627 0.65087 40.3561
486 1E7S NAP 0.0000001882 0.55447 41.1215
487 2Q1W NAD 0.0000000001945 0.66427 41.1411
488 1UDB NAD 0.00000000003606 0.55053 41.543
489 1SB8 NAD 0.000000000007927 0.58593 41.8398
490 1SB8 UD2 0.000000000003793 0.57028 41.8398
491 1EK6 NAI 0.000000000008922 0.55415 41.8398
492 1EK6 UPG 0.00000000003703 0.53134 41.8398
493 1GY8 NAD 0.00000000001213 0.71597 42.4332
494 1BXK NAD 0.0000000000009603 0.774 43.0267
495 1ORR NAD 0.000000000006792 0.70623 43.0267
496 1WVG APR 0.0000000007536 0.68386 43.3234
497 1OC2 TDX 0.0000000001186 0.52328 43.6202
498 1OC2 NAD 0.0000000001186 0.52328 43.6202
499 1R6D NAD 0.00000000004719 0.72817 44.2136
500 1R6D DAU 0.00000000006452 0.72116 44.2136
501 1KEW TYD 0.00000000002703 0.56298 44.2136
502 1KEW NAD 0.00000000004609 0.55082 44.2136
503 2PK3 A2R 0.00000001316 0.67051 44.5483
504 3LU1 NAD 0.0000000000005124 0.77579 44.8071
505 2C5A GDC 0.00000001148 0.48186 45.1039
506 2C5A NAD 0.00000001148 0.48186 45.1039
507 2Q1S NAI 0.0000000001319 0.6948 45.6973
Pocket No.: 2; Query (leader) PDB : 4GLL; 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: 4gll.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback