Receptor
PDB id Resolution Class Description Source Keywords
2GN4 1.9 Å EC: 4.2.1.- CRYSTAL STRUCTURE OF UDP-GLCNAC INVERTING 4,6-DEHYDRATASE IN COMPLEX WITH NADPH AND UDP-GLCNAC HELICOBACTER PYLORI ROSSMANN FOLD TYK TRIAD SDR ENZYME DEHYDRATASE UDP- GLCNAC NADP NADPH LYASE
Ref.: STRUCTURAL STUDIES OF FLAA1 FROM HELICOBACTER PYLORI REVEAL THE MECHANISM FOR INVERTING 4,6-DEHYDRATASE ACTIVITY. J.BIOL.CHEM. V. 281 24489 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MES B:336;
B:337;
Invalid;
Invalid;
none;
none;
submit data
195.237 C6 H13 N O4 S C1COC...
NDP A:334;
B:334;
Valid;
Valid;
none;
none;
submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
UD1 A:335;
B:335;
Valid;
Valid;
none;
none;
submit data
607.354 C17 H27 N3 O17 P2 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GN4 1.9 Å EC: 4.2.1.- CRYSTAL STRUCTURE OF UDP-GLCNAC INVERTING 4,6-DEHYDRATASE IN COMPLEX WITH NADPH AND UDP-GLCNAC HELICOBACTER PYLORI ROSSMANN FOLD TYK TRIAD SDR ENZYME DEHYDRATASE UDP- GLCNAC NADP NADPH LYASE
Ref.: STRUCTURAL STUDIES OF FLAA1 FROM HELICOBACTER PYLORI REVEAL THE MECHANISM FOR INVERTING 4,6-DEHYDRATASE ACTIVITY. J.BIOL.CHEM. V. 281 24489 2006
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2GN4 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 2GN8 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2GN4 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 2GN8 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2GN4 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 2GN8 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 3W1V - UDZ C17 H27 N6 O16 P2 CC(=O)N[C@....
4 3VVC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 4G5H - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NDP; Similar ligands found: 159
No: Ligand ECFP6 Tc MDL keys Tc
1 NDP 1 1
2 0WD 0.827273 1
3 NAI 0.803738 0.986842
4 NMN AMP PO4 0.794643 0.948052
5 NPW 0.692308 0.962025
6 NZQ 0.686441 0.987013
7 DG1 0.68 1
8 1DG 0.68 1
9 A2R 0.650943 0.909091
10 A22 0.64486 0.934211
11 TXP 0.644628 0.924051
12 ATR 0.640777 0.894737
13 NA7 0.636364 0.886076
14 XNP 0.620968 0.949367
15 AP0 0.598361 0.948718
16 A2P 0.598039 0.881579
17 NJP 0.574803 0.923077
18 25L 0.550847 0.934211
19 ODP 0.550388 0.936709
20 NAX 0.544 0.949367
21 25A 0.53913 0.921053
22 2AM 0.529412 0.87013
23 6V0 0.519685 0.974026
24 NAP 0.514493 0.922078
25 EAD 0.507143 0.949367
26 A2D 0.504673 0.921053
27 TXE 0.503876 0.935897
28 NA0 0.496454 0.910256
29 TXD 0.496124 0.911392
30 SAP 0.495575 0.875
31 AGS 0.495575 0.875
32 P1H 0.493056 0.925926
33 CO7 0.489796 0.791209
34 TAP 0.489362 0.864198
35 PAP 0.482456 0.907895
36 BA3 0.481818 0.921053
37 NAJ PZO 0.478261 0.924051
38 ATP 0.477876 0.921053
39 B4P 0.477477 0.921053
40 ADP 0.477477 0.921053
41 AP5 0.477477 0.921053
42 OAD 0.47541 0.897436
43 5FA 0.473684 0.921053
44 AR6 0.473684 0.896104
45 APR 0.473684 0.896104
46 AQP 0.473684 0.921053
47 AN2 0.473214 0.909091
48 3OD 0.467742 0.897436
49 50T 0.464912 0.884615
50 PO4 PO4 A A A A PO4 0.463415 0.857143
51 V3L 0.461538 0.896104
52 2A5 0.46087 0.85
53 A1R 0.459016 0.841463
54 ADQ 0.459016 0.897436
55 4AD 0.459016 0.875
56 OVE 0.458716 0.8375
57 OMR 0.458647 0.813953
58 PPS 0.457627 0.811765
59 AD9 0.456897 0.897436
60 CA0 0.45614 0.897436
61 M33 0.45614 0.884615
62 ADJ 0.455882 0.879518
63 A3P 0.455357 0.894737
64 ACP 0.452174 0.897436
65 ENP 0.451613 0.85
66 UP5 0.451128 0.948052
67 SRP 0.45 0.8625
68 ANP 0.449153 0.897436
69 ACQ 0.449153 0.897436
70 PRX 0.448276 0.82716
71 5AL 0.445378 0.884615
72 7D4 0.443478 0.8375
73 ADX 0.443478 0.811765
74 AMP 0.436364 0.894737
75 A 0.436364 0.894737
76 4TC 0.433824 0.924051
77 7D3 0.433628 0.8375
78 ETB 0.433566 0.797753
79 DCA 0.433566 0.788889
80 1ZZ 0.433071 0.802326
81 BIS 0.433071 0.864198
82 00A 0.432 0.864198
83 ATF 0.429752 0.886076
84 0T1 0.427586 0.788889
85 5SV 0.427419 0.788235
86 8QN 0.427419 0.884615
87 3AM 0.427273 0.857143
88 N01 0.426573 0.884615
89 PR8 0.425197 0.811765
90 WAQ 0.425197 0.841463
91 LAD 0.425197 0.821429
92 DTP 0.425 0.8375
93 AMO 0.424 0.886076
94 PAJ 0.424 0.843373
95 APC 0.423729 0.886076
96 UPA 0.423358 0.935897
97 48N 0.422222 0.853659
98 FYA 0.421875 0.860759
99 PTJ 0.421875 0.853659
100 CNA 0.421429 0.910256
101 PUA 0.42069 0.9125
102 NXX 0.419118 0.910256
103 DND 0.419118 0.910256
104 AV2 0.418033 0.848101
105 COA 0.417808 0.788889
106 3UK 0.417323 0.897436
107 OOB 0.416 0.909091
108 IVC 0.415584 0.78022
109 DAT 0.415254 0.8375
110 NDO 0.414966 0.897436
111 139 0.414286 0.901235
112 3AT 0.413223 0.896104
113 TAT 0.413223 0.886076
114 YLB 0.413043 0.784091
115 62F 0.4125 0.823529
116 ABM 0.412281 0.848101
117 YAP 0.412214 0.875
118 YLP 0.411765 0.784091
119 ME8 0.410853 0.802326
120 NB8 0.410853 0.853659
121 SON 0.410256 0.886076
122 DLL 0.409449 0.909091
123 AHX 0.409449 0.853659
124 COS 0.409396 0.771739
125 AMX 0.409396 0.797753
126 CAO 0.409396 0.763441
127 30N 0.409396 0.72449
128 7D5 0.409091 0.8125
129 4UW 0.408759 0.9125
130 APX 0.407692 0.841463
131 SRA 0.40708 0.85
132 CMX 0.406667 0.788889
133 SCO 0.406667 0.788889
134 TYM 0.405797 0.886076
135 COD 0.405594 0.777778
136 OXK 0.405229 0.771739
137 CA6 0.405229 0.70297
138 A12 0.405172 0.886076
139 AP2 0.405172 0.886076
140 9SN 0.40458 0.853659
141 LAQ 0.404412 0.802326
142 T5A 0.404255 0.914634
143 FAM 0.403974 0.771739
144 ACO 0.403974 0.763441
145 FCX 0.403974 0.763441
146 AMP MG 0.403509 0.825
147 VO4 ADP 0.403226 0.860759
148 ADP VO4 0.403226 0.860759
149 YLC 0.402878 0.823529
150 1VU 0.402597 0.763441
151 FA5 0.401515 0.886076
152 HAX 0.401316 0.771739
153 APU 0.4 0.923077
154 TXA 0.4 0.886076
155 A U 0.4 0.898734
156 4UU 0.4 0.948052
157 AFH 0.4 0.843373
158 CAJ 0.4 0.771739
159 AR6 AR6 0.4 0.871795
Ligand no: 2; Ligand: UD1; Similar ligands found: 76
No: Ligand ECFP6 Tc MDL keys Tc
1 UD2 1 1
2 UD1 1 1
3 UDZ 0.8 0.893333
4 HP7 0.793814 0.985294
5 EPZ 0.75 0.985507
6 EEB 0.742857 0.971429
7 EPU 0.742857 0.971429
8 UD4 0.742574 0.957143
9 UPG 0.73913 0.985294
10 UFM 0.73913 0.985294
11 GUD 0.73913 0.985294
12 GDU 0.73913 0.985294
13 UD7 0.722772 0.971014
14 MJZ 0.715686 0.957143
15 U2F 0.697917 0.930556
16 UPF 0.697917 0.930556
17 UMA 0.690265 0.985507
18 UDM 0.683168 0.957143
19 UFG 0.663265 0.930556
20 HWU 0.660377 0.943662
21 12V 0.660377 0.943662
22 U22 0.655462 0.85
23 U21 0.655462 0.871795
24 U20 0.655462 0.871795
25 UGA 0.65 0.970588
26 UGB 0.65 0.970588
27 USQ 0.633663 0.835443
28 UAD 0.63 0.956522
29 UDX 0.63 0.956522
30 UDP 0.622222 0.927536
31 UTP 0.619565 0.927536
32 UAG 0.617188 0.931507
33 URM 0.6 0.942857
34 660 0.6 0.942857
35 G3N 0.596154 0.929577
36 UPU 0.587629 0.955882
37 4RA 0.584615 0.87013
38 UNP 0.583333 0.901408
39 3UC 0.575472 0.930556
40 UML 0.564286 0.871795
41 IUG 0.561404 0.825
42 U5P 0.555556 0.913043
43 UDP GAL 0.552381 0.956522
44 UD0 0.552239 0.858974
45 UDH 0.543689 0.855263
46 UPP 0.543689 0.928571
47 2KH 0.530612 0.901408
48 44P 0.521277 0.888889
49 C5G 0.518519 0.930556
50 UDP UDP 0.505155 0.898551
51 Y6W 0.504673 0.90411
52 2QR 0.485075 0.860759
53 2GW 0.482759 0.943662
54 U 0.477273 0.852941
55 URI 0.477273 0.852941
56 UP5 0.47541 0.844156
57 1GW 0.467213 0.905405
58 CJB 0.461538 0.838235
59 PMP UD1 0.460432 0.833333
60 4TC 0.456 0.822785
61 UAG API 0.453947 0.881579
62 CSV 0.452991 0.866667
63 CSQ 0.452991 0.866667
64 UA3 0.447917 0.898551
65 U3P 0.447917 0.898551
66 U U 0.446429 0.914286
67 GN1 0.444444 0.753623
68 NG1 0.444444 0.753623
69 PUP 0.429825 0.875
70 CXY 0.422414 0.90411
71 A U 0.418605 0.820513
72 U2P 0.418367 0.913043
73 UMA FGA LYS DAL DAL 0.417178 0.858974
74 U1S 0.409091 0.789474
75 FN5 0.40458 0.883117
76 DAU 0.403361 0.905405
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GN4; Ligand: NDP; Similar sites found: 113
This union binding pocket(no: 1) in the query (biounit: 2gn4.bio1) has 92 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KPE TM3 0.00001874 0.63597 None
2 2PR5 FMN 0.01898 0.43514 None
3 2I3G NAP 0.004066 0.43986 1.16279
4 3LST SAH 0.003887 0.48421 1.45349
5 3GFB NAD 0.002991 0.4533 1.45349
6 3DMH SAM 0.007497 0.45147 1.45349
7 1E3I CXF 0.00269 0.43621 1.45349
8 3DMH GMP 0.009049 0.43152 1.45349
9 3A28 NAD 0.0000001348 0.63887 1.55039
10 1ONX ASP 0.004008 0.44355 1.74419
11 3SHR CMP 0.04784 0.43183 2.03488
12 4I4Z 2NE 0.02929 0.40389 2.18182
13 3MAG SAH 0.01418 0.43779 2.28013
14 1BW9 NAD 0.00477 0.45811 2.32558
15 4DPL NAP 0.002398 0.45233 2.32558
16 1C1X NAD 0.005587 0.44356 2.32558
17 1KPG SAH 0.04831 0.40853 2.43902
18 4DMG SAM 0.01434 0.45693 2.61628
19 1BGV GLU 0.003778 0.41942 2.61628
20 1RPN NDP 0.00000003279 0.63507 2.68657
21 1CER NAD 0.002038 0.46368 2.71903
22 3F81 STT 0.02201 0.48391 2.73224
23 2B5W NAP 0.003571 0.43332 2.90698
24 1HKU NAD 0.01464 0.41569 2.90698
25 4PNI KQQ 0.0342 0.41144 2.90698
26 3G2O SAM 0.003038 0.47807 3.01003
27 3BAZ NAP 0.0007177 0.48774 3.19767
28 3PLN U5P 0.03846 0.44414 3.19767
29 2QA1 FAD 0.01074 0.41365 3.19767
30 1M2W NAD 0.03984 0.41043 3.19767
31 3B9Q MLI 0.04504 0.4426 3.31126
32 1W7J ADP BEF 0.03488 0.42605 3.31126
33 2GJN FMN 0.03093 0.41103 3.35366
34 2GJN NIS 0.03205 0.40628 3.35366
35 1GZ6 NAI 0.00000187 0.58431 3.44828
36 2FK8 SAM 0.02707 0.42357 3.48837
37 3GDH SAH 0.01557 0.42779 3.73444
38 1VKO NAD 0.001138 0.46117 3.77907
39 2NPX NAD 0.000689 0.40915 3.77907
40 2NPX FAD 0.01081 0.40633 3.77907
41 4NEC SAH 0.007579 0.46461 3.78788
42 1E6W NAD 0.00000001603 0.67945 3.84615
43 4MDH NAD 0.001062 0.47364 3.89222
44 1SS4 CIT 0.008508 0.54393 3.92157
45 1SS4 GSH 0.0324 0.49093 3.92157
46 1TV5 ORO 0.003553 0.47321 4.06977
47 1TV5 N8E 0.02674 0.42846 4.06977
48 1TV5 FMN 0.002897 0.41737 4.06977
49 1TB4 PEJ 0.01563 0.41648 4.06977
50 2IXB NAD 0.01035 0.42224 4.27928
51 2IXB A2G 0.01385 0.4039 4.27928
52 2NXE SAM 0.03362 0.42404 4.33071
53 1JQN DCO 0.01304 0.41091 4.36047
54 4FFS BIG 0.008263 0.43918 4.60251
55 1XDS SAM 0.003903 0.48412 4.65116
56 1V6A TRE 0.0003668 0.5664 5.12048
57 2ZO9 MLI 0.01396 0.45674 5.47445
58 3OYZ ACO 0.00241 0.42887 5.52326
59 4COQ SAN 0.04421 0.4494 6.07287
60 1G55 SAH 0.006054 0.45929 6.12245
61 3GX0 GDS 0.03151 0.42256 6.51163
62 1Z82 NDP 0.009841 0.42987 6.56716
63 1Q7B NAP 0.00000004262 0.66082 6.96721
64 3TLJ SAH 0.01107 0.43745 6.97051
65 1U8X NAD 0.002076 0.46331 7.20339
66 3JV7 NAD 0.004959 0.43846 7.26744
67 3TI8 LNV 0.002751 0.42189 7.26744
68 1GEE NAD 0.0000000088 0.69088 7.27969
69 2AHR NAP 0.02026 0.40789 7.33591
70 1N9L FMN 0.0362 0.42254 7.33945
71 2JJQ SAH 0.02538 0.43963 7.55814
72 3U7Y FLC 0.0372 0.48378 7.75623
73 3SJU NDP 0.001756 0.50352 7.8853
74 2RH4 EMO 0.00000003995 0.40679 7.94224
75 3I3X U22 0.0005901 0.41835 8.10811
76 2VDV SAM 0.002489 0.49476 8.13008
77 1ZMD NAI 0.01352 0.42826 8.13953
78 3OA2 NAD 0.002475 0.45433 9.1195
79 3JQA NAP 0.000001023 0.6099 9.72222
80 3JQF NAP 0.0000009663 0.60133 9.72222
81 4CM4 NAP 0.03774 0.44068 9.72222
82 1JQ3 AAT 0.01451 0.41195 10.1351
83 2BH9 NAP 0.003288 0.48401 10.1744
84 1HDG NAD 0.004041 0.45277 11.1446
85 3VZS NAP 0.00000003059 0.40848 11.284
86 1I2B USQ 3.462e-17 0.4537 12.1287
87 1I2B UPG 3.462e-17 0.4537 12.1287
88 1I2B NAD 0.0000001148 0.41857 12.1287
89 1SJW NGV 0.006592 0.41342 12.5
90 2RHQ GAX 0.03511 0.41553 13.2653
91 1QMG APX 0.03793 0.41148 13.3721
92 1N7G GDR 0.00000001986 0.42935 14.2442
93 2Q1S NAI 0.00000007967 0.40124 14.2442
94 3HB5 NAP 0.000001257 0.53078 14.3731
95 3HB5 E2B 0.01995 0.42097 14.3731
96 1EK6 UPG 0.000000113 0.41742 15.2299
97 1KEW NAD 0.0000000007859 0.45037 15.407
98 1KEW TYD 0.000000001745 0.44153 15.407
99 2QLX RM4 0.01648 0.47889 16.6667
100 1RKX NAD 0.000000003349 0.70317 17.7326
101 1OC2 NAD 0.000000002146 0.45112 17.7326
102 1BDB NAD 0.0000003911 0.60444 18.7726
103 1CFV E3G 0.04477 0.40456 21.0084
104 2PZM NAD 0.00000002782 0.40727 22.4242
105 1UDB NAD 0.00000001377 0.42844 23.0769
106 1SB8 UD2 0.00000000003663 0.47622 24.1477
107 1SB8 NAD 0.0000000000209 0.47133 24.1477
108 1VL8 NAP 0.00000001483 0.66427 25.8427
109 2C5A NAD 0.0000001287 0.41342 25.8721
110 2JAP NDP 0.00000007155 0.64564 27.1255
111 3WXB NDP 0.007092 0.47339 30.8244
112 1R6D DAU 0.0000000001248 0.46803 30.8605
113 1R6D NAD 0.0000000001615 0.46803 30.8605
Pocket No.: 2; Query (leader) PDB : 2GN4; Ligand: UD1; Similar sites found: 108
This union binding pocket(no: 2) in the query (biounit: 2gn4.bio1) has 95 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KPE TM3 0.00002017 0.63597 None
2 2PR5 FMN 0.02771 0.42894 None
3 2I3G NAP 0.009007 0.42613 1.16279
4 3GFB NAD 0.003213 0.45324 1.45349
5 3LST SAH 0.01558 0.45249 1.45349
6 1E3I CXF 0.002391 0.43966 1.45349
7 3DMH SAM 0.02139 0.42991 1.45349
8 5AYC BGC BMA 0.01838 0.42484 1.45349
9 3DMH GMP 0.02269 0.41455 1.45349
10 3A28 NAD 0.0000001388 0.64047 1.55039
11 2F2U M77 0.01351 0.46067 1.74419
12 1ONX ASP 0.002776 0.45111 1.74419
13 3MAG SAH 0.01105 0.44377 2.28013
14 1BW9 NAD 0.004832 0.45915 2.32558
15 1C1X NAD 0.005351 0.44574 2.32558
16 4DPL NAP 0.005133 0.43911 2.32558
17 4MO2 FDA 0.006819 0.41923 2.32558
18 4MO2 FAD 0.006903 0.41718 2.32558
19 4DMG SAM 0.0186 0.45182 2.61628
20 1BGV GLU 0.00609 0.41399 2.61628
21 1RPN NDP 0.00000005022 0.62982 2.68657
22 1RPN GDP 0.02644 0.43661 2.68657
23 1CER NAD 0.002465 0.46126 2.71903
24 3F81 STT 0.02231 0.48475 2.73224
25 2B5W NAP 0.003668 0.43418 2.90698
26 1HKU NAD 0.01533 0.41604 2.90698
27 4PNI KQQ 0.04398 0.40809 2.90698
28 3G2O SAM 0.003664 0.47521 3.01003
29 3BAZ NAP 0.0009663 0.48317 3.19767
30 2QA1 FAD 0.01074 0.4149 3.19767
31 1M2W NAD 0.04403 0.40944 3.19767
32 1W7J ADP BEF 0.03694 0.42605 3.31126
33 2GJN NIS 0.02041 0.41504 3.35366
34 1GZ6 NAI 0.000002073 0.58431 3.44828
35 1Y42 TYR 0.04464 0.44182 3.48837
36 2FK8 SAM 0.02856 0.42357 3.48837
37 3QJ4 FAD 0.01727 0.4013 3.50877
38 3GDH SAH 0.0157 0.42884 3.73444
39 3ZPG 5GP 0.02377 0.48305 3.77907
40 1VKO NAD 0.001089 0.46342 3.77907
41 4NEC SAH 0.01462 0.45052 3.78788
42 1E6W NAD 0.00000001601 0.68181 3.84615
43 4MDH NAD 0.001007 0.47612 3.89222
44 1SS4 GSH 0.02699 0.49679 3.92157
45 1TV5 ORO 0.00575 0.46492 4.06977
46 1TV5 N8E 0.01268 0.44421 4.06977
47 1TV5 FMN 0.005673 0.40963 4.06977
48 1TB4 PEJ 0.02755 0.40673 4.06977
49 2IXB NAD 0.01541 0.41594 4.27928
50 2IXB A2G 0.01823 0.40036 4.27928
51 1JQN DCO 0.006682 0.42242 4.36047
52 3O9Z NAD 0.007661 0.40384 4.48718
53 1XDS SAM 0.01388 0.45525 4.65116
54 1V6A TRE 0.000318 0.57184 5.12048
55 2ZO9 MLI 0.02565 0.44485 5.47445
56 3OYZ ACO 0.0004154 0.45569 5.52326
57 4COQ SAN 0.02721 0.46241 6.07287
58 1G55 SAH 0.00721 0.45673 6.12245
59 3GX0 GDS 0.03348 0.42256 6.51163
60 1Z82 NDP 0.009979 0.43085 6.56716
61 3DGB MUC 0.02597 0.4428 6.68605
62 3S9K CIT 0.0478 0.45814 6.77966
63 1Q7B NAP 0.00000008367 0.65016 6.96721
64 3TLJ SAH 0.01875 0.42759 6.97051
65 1U8X NAD 0.00213 0.46419 7.20339
66 3JV7 NAD 0.004471 0.44176 7.26744
67 3TI8 LNV 0.001985 0.42781 7.26744
68 1GEE NAD 0.000000007944 0.69522 7.27969
69 1N9L FMN 0.03838 0.42254 7.33945
70 3U7Y FLC 0.03864 0.48378 7.75623
71 3SJU NDP 0.000000009445 0.68606 7.8853
72 2RH4 EMO 0.00000003195 0.40417 7.94224
73 3I3X U22 0.004307 0.40338 8.10811
74 2VDV SAM 0.006889 0.47194 8.13008
75 1ZMD NAI 0.01436 0.42826 8.13953
76 3OA2 NAD 0.002655 0.45433 9.1195
77 3JQA NAP 0.000001093 0.61059 9.72222
78 3JQF NAP 0.000001054 0.60167 9.72222
79 1JQ3 AAT 0.02218 0.40531 10.1351
80 2BH9 NAP 0.003484 0.48401 10.1744
81 1SJD NPG 0.005777 0.44404 11.0465
82 1HDG NAD 0.00464 0.45129 11.1446
83 3VZS NAP 0.00000004856 0.40026 11.284
84 1I2B UPG 7.123e-19 0.46588 12.1287
85 1I2B USQ 7.123e-19 0.46588 12.1287
86 1I2B NAD 0.00000001597 0.43139 12.1287
87 1SJW NGV 0.009658 0.40921 12.5
88 2RHQ GAX 0.0251 0.42289 13.2653
89 1QMG APX 0.03807 0.41255 13.3721
90 1N7G GDR 0.000000003644 0.43957 14.2442
91 3HB5 NAP 0.0000006699 0.54239 14.3731
92 3HB5 E2B 0.02135 0.42097 14.3731
93 1EK6 UPG 0.00000001508 0.43003 15.2299
94 1KEW NAD 0.00000000006462 0.46536 15.407
95 1KEW TYD 0.000000000146 0.45675 15.407
96 1RKX NAD 0.000000003744 0.70352 17.7326
97 1OC2 NAD 0.0000000002101 0.46547 17.7326
98 1BDB NAD 0.0000001316 0.62652 18.7726
99 2PZM NAD 0.00000003282 0.40227 22.4242
100 1UDB NAD 0.000000003205 0.43564 23.0769
101 1SB8 UD2 0.000000000007366 0.48344 24.1477
102 1SB8 NAD 0.00000000001254 0.46865 24.1477
103 1VL8 NAP 0.00000004942 0.6445 25.8427
104 2C5A NAD 0.00000002213 0.42449 25.8721
105 2JAP NDP 0.0000001961 0.62881 27.1255
106 3WXB NDP 0.0164 0.45645 30.8244
107 1R6D DAU 0.00000000001236 0.48169 30.8605
108 1R6D NAD 0.00000000003797 0.47451 30.8605
Pocket No.: 3; Query (leader) PDB : 2GN4; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2gn4.bio1) has 92 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2GN4; Ligand: UD1; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2gn4.bio1) has 52 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback