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Receptor
PDB id Resolution Class Description Source Keywords
2GCG 2.2 Å EC: 1.1.1.79 TERNARY CRYSTAL STRUCTURE OF HUMAN GLYOXYLATE REDUCTASE/HYDROXYPYRUVATE REDUCTASE HOMO SAPIENS NAD(P) ROSSMANN FOLD FORMATE/GLYCERATE DEHYDROGENASE SUBSTRBINDING DOMAIN OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS OF SUBSTRATE SPECIFICITY IN HUMAN GLYOXYLATE REDUCTASE/HYDROXYPYRUVATE REDUCTASE J.MOL.BIOL. V. 360 178 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DGY A:3001;
C:3002;
Valid;
Valid;
none;
none;
submit data
106.077 C3 H6 O4 C([C@...
NDP A:2001;
B:2002;
C:2003;
D:2004;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
SO4 B:1005;
C:1001;
D:1002;
D:1003;
D:1004;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
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
2GCG 2.2 Å EC: 1.1.1.79 TERNARY CRYSTAL STRUCTURE OF HUMAN GLYOXYLATE REDUCTASE/HYDROXYPYRUVATE REDUCTASE HOMO SAPIENS NAD(P) ROSSMANN FOLD FORMATE/GLYCERATE DEHYDROGENASE SUBSTRBINDING DOMAIN OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS OF SUBSTRATE SPECIFICITY IN HUMAN GLYOXYLATE REDUCTASE/HYDROXYPYRUVATE REDUCTASE J.MOL.BIOL. V. 360 178 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2GCG - NDP C21 H30 N7 O17 P3 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 2GCG - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4NU5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 4E5P - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 4EBF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 3BAZ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 6BII Ki = 2000 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
6 2GCG - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
7 2DBZ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DGY; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 DGY 1 1
2 DE2 0.55 0.73913
3 LER 0.52381 0.833333
4 LMR 0.52381 0.818182
5 DMR 0.52381 0.818182
6 MLT 0.52381 0.818182
7 RSH 0.5 0.913043
8 2RH 0.5 0.6
9 HIU 0.47619 0.652174
10 HUI 0.47619 0.652174
11 SER 0.47619 0.607143
12 DSN 0.47619 0.607143
13 S2G 0.44 0.666667
14 2HG 0.44 0.666667
15 3LR 0.407407 0.782609
16 1N5 0.4 0.807692
Ligand no: 2; Ligand: NDP; Similar ligands found: 172
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 1DG 0.68 1
8 DG1 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 80F 0.537879 0.914634
23 2AM 0.529412 0.87013
24 6V0 0.519685 0.974026
25 NAP 0.514493 0.922078
26 7L1 0.507143 0.763441
27 EAD 0.507143 0.949367
28 A2D 0.504673 0.921053
29 TXE 0.503876 0.935897
30 NA0 0.496454 0.910256
31 TXD 0.496124 0.911392
32 SAP 0.495575 0.875
33 AGS 0.495575 0.875
34 P1H 0.493056 0.925926
35 CO7 0.489796 0.791209
36 TAP 0.489362 0.864198
37 PAP 0.482456 0.907895
38 BA3 0.481818 0.921053
39 NAJ PZO 0.478261 0.924051
40 ATP 0.477876 0.921053
41 HEJ 0.477876 0.921053
42 B4P 0.477477 0.921053
43 AP5 0.477477 0.921053
44 ADP 0.477477 0.921053
45 OAD 0.47541 0.897436
46 AR6 0.473684 0.896104
47 AQP 0.473684 0.921053
48 5FA 0.473684 0.921053
49 APR 0.473684 0.896104
50 AN2 0.473214 0.909091
51 3OD 0.467742 0.897436
52 50T 0.464912 0.884615
53 NAJ PYZ 0.464789 0.879518
54 9X8 0.463415 0.851852
55 PO4 PO4 A A A A PO4 0.463415 0.857143
56 V3L 0.461538 0.896104
57 2A5 0.46087 0.85
58 AT4 0.460177 0.886076
59 A1R 0.459016 0.841463
60 4AD 0.459016 0.875
61 ADQ 0.459016 0.897436
62 OVE 0.458716 0.8375
63 OMR 0.458647 0.813953
64 PPS 0.457627 0.811765
65 AD9 0.456897 0.897436
66 CA0 0.45614 0.897436
67 M33 0.45614 0.884615
68 ADJ 0.455882 0.879518
69 A3P 0.455357 0.894737
70 ACP 0.452174 0.897436
71 ENP 0.451613 0.85
72 UP5 0.451128 0.948052
73 SRP 0.45 0.8625
74 ANP 0.449153 0.897436
75 ACQ 0.449153 0.897436
76 PRX 0.448276 0.82716
77 A3R 0.447154 0.841463
78 5AL 0.445378 0.884615
79 7D4 0.443478 0.8375
80 ADX 0.443478 0.811765
81 6YZ 0.438017 0.897436
82 A 0.436364 0.894737
83 AMP 0.436364 0.894737
84 4TC 0.433824 0.924051
85 7D3 0.433628 0.8375
86 DCA 0.433566 0.788889
87 ETB 0.433566 0.797753
88 BIS 0.433071 0.864198
89 1ZZ 0.433071 0.802326
90 00A 0.432 0.864198
91 ATF 0.429752 0.886076
92 DQV 0.428571 0.934211
93 0T1 0.427586 0.788889
94 5SV 0.427419 0.788235
95 8QN 0.427419 0.884615
96 3AM 0.427273 0.857143
97 N01 0.426573 0.884615
98 PR8 0.425197 0.811765
99 LAD 0.425197 0.821429
100 WAQ 0.425197 0.841463
101 DTP 0.425 0.8375
102 AMO 0.424 0.886076
103 PAJ 0.424 0.843373
104 APC 0.423729 0.886076
105 UPA 0.423358 0.935897
106 48N 0.422222 0.853659
107 FYA 0.421875 0.860759
108 PTJ 0.421875 0.853659
109 CNA 0.421429 0.910256
110 PUA 0.42069 0.9125
111 DND 0.419118 0.910256
112 NXX 0.419118 0.910256
113 AV2 0.418033 0.848101
114 COA 0.417808 0.788889
115 3UK 0.417323 0.897436
116 OOB 0.416 0.909091
117 IVC 0.415584 0.78022
118 DAT 0.415254 0.8375
119 NDO 0.414966 0.897436
120 139 0.414286 0.901235
121 B5V 0.414062 0.886076
122 T99 0.413223 0.886076
123 TAT 0.413223 0.886076
124 3AT 0.413223 0.896104
125 YLB 0.413043 0.784091
126 62F 0.4125 0.823529
127 ABM 0.412281 0.848101
128 B5M 0.412214 0.875
129 YAP 0.412214 0.875
130 YLP 0.411765 0.784091
131 NB8 0.410853 0.853659
132 ME8 0.410853 0.802326
133 SON 0.410256 0.886076
134 DLL 0.409449 0.909091
135 AHX 0.409449 0.853659
136 CAO 0.409396 0.763441
137 30N 0.409396 0.72449
138 AMX 0.409396 0.797753
139 COS 0.409396 0.771739
140 7D5 0.409091 0.8125
141 4UW 0.408759 0.9125
142 F2R 0.408451 0.825581
143 APX 0.407692 0.841463
144 SRA 0.40708 0.85
145 CMX 0.406667 0.788889
146 SCO 0.406667 0.788889
147 TYM 0.405797 0.886076
148 COD 0.405594 0.777778
149 CA6 0.405229 0.70297
150 OXK 0.405229 0.771739
151 AP2 0.405172 0.886076
152 A12 0.405172 0.886076
153 9SN 0.40458 0.853659
154 LAQ 0.404412 0.802326
155 T5A 0.404255 0.914634
156 FAM 0.403974 0.771739
157 ACO 0.403974 0.763441
158 FCX 0.403974 0.763441
159 VO4 ADP 0.403226 0.860759
160 ADP VO4 0.403226 0.860759
161 YLC 0.402878 0.823529
162 1VU 0.402597 0.763441
163 B5Y 0.401515 0.875
164 FA5 0.401515 0.886076
165 HAX 0.401316 0.771739
166 AR6 AR6 0.4 0.871795
167 CAJ 0.4 0.771739
168 AFH 0.4 0.843373
169 APU 0.4 0.923077
170 A U 0.4 0.898734
171 TXA 0.4 0.886076
172 4UU 0.4 0.948052
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GCG; Ligand: NDP; Similar sites found with APoc: 797
This union binding pocket(no: 1) in the query (biounit: 2gcg.bio2) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 1RP0 AHZ None
2 1Q0H NDP 0.606061
3 1Q0H FOM 0.606061
4 3FPZ AHZ 0.920245
5 1F06 NDP 0.9375
6 1F06 2NP 0.9375
7 4J36 1HR 1.21212
8 4J36 FAD 1.21212
9 4YT4 FE9 1.21212
10 2B9W FAD 1.21212
11 3GGO NAI 1.27389
12 3GGO ENO 1.27389
13 4D42 W0I 1.41844
14 4D42 NAP 1.41844
15 2G5C NAD 1.42349
16 1AE1 NAP 1.4652
17 4RF2 NAP 1.47059
18 2VHW NAI 1.51515
19 2Y6Q FAD 1.51515
20 2Y6Q I7T 1.51515
21 2VVL FAD 1.51515
22 2VVM FAD 1.51515
23 4TQG NDP 1.54799
24 4CJX NAP 1.5674
25 1LDN NAD 1.58228
26 3O03 NAP 1.71821
27 1PVS 7HP 1.77305
28 1GR0 NAD 1.81818
29 4XQC 13D 1.81818
30 4XQC NAD 1.81818
31 1MV8 NAD 1.81818
32 1MUU NAD 1.81818
33 4PLT NAI 1.81818
34 4PLT OXM 1.81818
35 4JBI NDP 1.81818
36 4W6Z 8ID 1.81818
37 2GLX NDP 1.81818
38 1Z45 NAD 1.81818
39 1H9A NAP 1.81818
40 2AQJ TRP 1.81818
41 2AQJ FAD 1.81818
42 1TB4 PEJ 1.81818
43 3WMX NAD 1.81818
44 3WBF NAP 1.96721
45 3WBF API 1.96721
46 3CH6 NAP 2.0979
47 3CH6 311 2.0979
48 1ZQ9 SAM 2.10526
49 1O0S NAI 2.12121
50 5NUF NAD 2.12121
51 4B7X NAP 2.12121
52 3S5W NAP 2.12121
53 1UP7 NAD 2.12121
54 5J5Z FAD 2.12121
55 1OC2 TDX 2.12121
56 1OC2 NAD 2.12121
57 5BJX NAD 2.12121
58 5BJX UDP 2.12121
59 3AXB FAD 2.12121
60 3AXB PRO 2.12121
61 1N9G NAP 2.12121
62 3ZNN 4WL 2.12121
63 3ZNN FAD 2.12121
64 4OPC PGT 2.12121
65 4OPC FDA 2.12121
66 3S5W FAD 2.12121
67 1GY8 NAD 2.12121
68 4FWE FAD 2.12121
69 6C4T NA7 2.12121
70 5WQP NCA 2.13675
71 5WQP NAP 2.13675
72 4K26 SFF 2.17391
73 4K26 NDP 2.17391
74 5D4V SAH 2.23881
75 5X20 NAD 2.24359
76 1VL8 NAP 2.24719
77 3VPH OXM 2.25806
78 3VPH NAD 2.25806
79 3HAD NAD 2.27273
80 5XH2 NPO 2.29008
81 5B4T 3HR 2.30769
82 5B4T NAD 2.30769
83 1W6U NAP 2.31788
84 2GN4 NDP 2.32558
85 2GN4 UD1 2.32558
86 1WP4 NDP 2.42215
87 2CVZ NDP 2.42215
88 1ZH8 NAP 2.42424
89 1RYD NDP 2.42424
90 5ZI2 ADP 2.42424
91 4U7W NDP 2.42424
92 1YKF NAP 2.42424
93 5ZI2 NAD 2.42424
94 5U8U FAD 2.42424
95 4G5H NAP 2.42424
96 4G5H UD7 2.42424
97 4B63 FAD 2.42424
98 4B63 ORN 2.42424
99 4B63 NAP 2.42424
100 5TS5 FAD 2.42424
101 2IID PHE 2.42424
102 2IID FAD 2.42424
103 1REO FAD 2.42424
104 4RSL FAD 2.42424
105 1VJT NAD 2.42424
106 3RC1 NAP 2.42424
107 3RC1 TLO 2.42424
108 3E1T FAD 2.42424
109 3LAD FAD 2.42424
110 6GSZ BGC 2.42424
111 1LUA NAP 2.43902
112 2Q7V FAD 2.46154
113 1T26 GBD 2.48447
114 1T26 NAI 2.48447
115 2A92 NAI 2.49221
116 5L4S 6KX 2.51572
117 5L4S NAP 2.51572
118 1SNY NAP 2.62172
119 1O6Z NAD 2.64026
120 1ZEM NAD 2.67176
121 4ZVV NAD 2.72727
122 4ZVV GN0 2.72727
123 9LDB NAD 2.72727
124 1KOL NAD 2.72727
125 1PZG A3D 2.72727
126 6CEP OXM 2.72727
127 6CEP NAD 2.72727
128 9LDT NAD 2.72727
129 1H6C NDP 2.72727
130 4DPL NAP 2.72727
131 1KJ8 GAR 2.72727
132 1RM4 NDP 2.72727
133 5A04 NDP 2.72727
134 5A04 BGC 2.72727
135 1H6C SIN 2.72727
136 4EA7 COA 2.72727
137 4EA7 JB2 2.72727
138 1XHC FAD 2.72727
139 4AP3 FAD 2.72727
140 4AP3 NAP 2.72727
141 3G5S FAD 2.72727
142 1SB8 NAD 2.72727
143 1SB8 UD2 2.72727
144 4RVU NDP 2.72727
145 5TTJ FAD 2.72727
146 6BWL NAD 2.7439
147 5FEU NAP 2.74914
148 2Q46 NAP 2.7668
149 6GNA FAD 2.77778
150 3ORF NAD 2.78884
151 1OMO NAD 2.79503
152 3CTY FAD 2.82132
153 4E13 NAD 2.82686
154 1TDF NAP 2.8481
155 1TDF FAD 2.8481
156 4UP3 NDP 2.86624
157 5U5N NAD 2.86738
158 4ZRN UPG 2.88462
159 4ZRN NAD 2.88462
160 4FC7 NAP 2.88809
161 4FC7 COA 2.88809
162 3QWI NAP 2.96296
163 3QWI CUE 2.96296
164 1W73 NAP 2.98013
165 1W8D NAP 2.98013
166 5OVL NAP 3
167 1VKO NAD 3.0303
168 1DLJ NAI 3.0303
169 4RQU NAD 3.0303
170 1E3I CXF 3.0303
171 1DLJ UGA 3.0303
172 4MDH NAD 3.0303
173 2YYY NAP 3.0303
174 5MLR NAP 3.0303
175 5MLR GRQ 3.0303
176 1CZA G6P 3.0303
177 2V6G NAP 3.0303
178 1YB5 NAP 3.0303
179 3UOY NAP 3.0303
180 3UOY FAD 3.0303
181 1YS4 NAP 3.0303
182 3KLJ FAD 3.0303
183 5MDH NAD 3.0303
184 1D4D FAD 3.0303
185 4R5M 4NO 3.0303
186 4R5M NAP 3.0303
187 5DOZ NDP 3.0303
188 4YNU FAD 3.0303
189 5FFF 5XC 3.11284
190 5FFF NAP 3.11284
191 4J7U YTZ 3.125
192 4J7U NAP 3.125
193 3RGG AIR 3.14465
194 1G0N PHH 3.18021
195 1G0N NDP 3.18021
196 1Z6Z NAP 3.19149
197 4HXY NDP 3.19635
198 3KO8 NAD 3.20513
199 3SJU NDP 3.22581
200 4J1Q NDP 3.23276
201 5XVH NAP 3.26797
202 1HDR NAD 3.27869
203 2BD0 NAP 3.27869
204 3ICT ADP 3.33333
205 1GQ2 NAP 3.33333
206 1GAD NAD 3.33333
207 1F8F NAD 3.33333
208 5UR0 NAD 3.33333
209 3CMC NAD 3.33333
210 1U8X NAD 3.33333
211 1J0X NAD 3.33333
212 4Y1B NAP 3.33333
213 4EDF UPG 3.33333
214 3I6I NDP 3.33333
215 1YKJ FAD 3.33333
216 1YKJ PHB 3.33333
217 1WPQ NAD 3.33333
218 1FEC FAD 3.33333
219 3SQP FAD 3.33333
220 5MBX FAD 3.33333
221 5MBX SP5 3.33333
222 4EMI NAD 3.33333
223 3L9W AMP 3.33333
224 3L9W GSH 3.33333
225 4YKG NAD 3.33333
226 5TQZ GLC 3.33333
227 3LXD FAD 3.33333
228 1QO8 FAD 3.33333
229 4R1S NAP 3.33333
230 3ICS ADP 3.33333
231 3Q3C NAD 3.34448
232 1XSE NDP 3.38983
233 2PK3 A2R 3.42679
234 3C1O NAP 3.42679
235 2CUL FAD 3.44828
236 1R37 NAD 3.45821
237 2QZZ EMF 3.45912
238 2QZZ NAP 3.45912
239 2AE2 PTO 3.46154
240 2AE2 NAP 3.46154
241 5OVK NDP 3.51562
242 3O9Z AKG 3.52564
243 3O9Z NAD 3.52564
244 2YY7 NAD 3.52564
245 2Q0L NAP 3.53698
246 1GV0 NAD 3.54839
247 4XDY NAI 3.5503
248 1UXG FUM 3.55987
249 1UXG NAD 3.55987
250 3WCZ CIT 3.57143
251 1X7D ORN 3.63636
252 1X7D NAD 3.63636
253 1C1X NAD 3.63636
254 4PLG NAI 3.63636
255 4PLG OXM 3.63636
256 1LLU NAD 3.63636
257 1BXG NAD 3.63636
258 2NVK NAP 3.63636
259 1BW9 NAD 3.63636
260 4L8V NAP 3.63636
261 2DFV NAD 3.63636
262 3V1Y NAD 3.63636
263 5NUE NAD 3.63636
264 4Z0H NAD 3.63636
265 3ETG GTP 3.63636
266 3ETG GLU 3.63636
267 3ETG NDP 3.63636
268 3A06 NDP 3.63636
269 1K3T BRZ 3.63636
270 3L4S NAD 3.63636
271 3A06 FOM 3.63636
272 5A1T OXM 3.63636
273 5A1T NAI 3.63636
274 3L4S 3PG 3.63636
275 5G3U FDA 3.63636
276 4IDC 1XX 3.63636
277 4IDC NDP 3.63636
278 5KVS 6XR 3.63636
279 5KVS NAP 3.63636
280 5XWC 2IT 3.63636
281 5XWC NAP 3.63636
282 5XWC 8GL 3.63636
283 5G3U ITW 3.63636
284 1BZL GCG 3.63636
285 1RSG FAD 3.63636
286 1BZL FAD 3.63636
287 1YY5 FAD 3.63636
288 1UDB NAD 3.63636
289 1UDB UFG 3.63636
290 1KNR FAD 3.63636
291 6GAS FAD 3.63636
292 5VN0 NAI 3.63636
293 5VN0 FAD 3.63636
294 1M0S CIT 3.65297
295 1C3V NDP 3.67347
296 1P77 ATR 3.67647
297 1Q7B NAP 3.68852
298 3F8D FAD 3.71517
299 2VT3 ATP 3.72093
300 1H5Q NAP 3.77358
301 5O98 NAP 3.78549
302 1XCL SAH 3.82979
303 3LU1 NAD 3.84615
304 4JK3 NAD 3.861
305 4J4H NAI 3.861
306 4J4H 1J1 3.861
307 1U1I NAD 3.93939
308 1H2B NAJ 3.93939
309 3ABI NAD 3.93939
310 1GZ4 ATP 3.93939
311 5LD5 NAD 3.93939
312 5JY6 NAD 3.93939
313 3CIF NAD 3.93939
314 3CIF G3H 3.93939
315 2DM6 NAP 3.93939
316 1F8G NAD 3.93939
317 2DM6 IMN 3.93939
318 4ZCC NAI 3.93939
319 4ZCC FAD 3.93939
320 1PGP 6PG 3.93939
321 3DAG FEG 3.93939
322 3AYI FAD 3.93939
323 3AYI HCI 3.93939
324 1C0I BE2 3.93939
325 1C0I FAD 3.93939
326 6FHO FAD 3.93939
327 1LVL NAD 3.93939
328 5O42 NAD 3.93939
329 5O42 BGC 3.93939
330 5O42 9JW 3.93939
331 5TUF TDC 3.93939
332 5TUF FAD 3.93939
333 5EOW FAD 3.93939
334 2D2I NAP 3.94737
335 1SOW NAD 3.96341
336 2HJR APR 3.96341
337 3NGL NAP 3.98551
338 4YRY FAD 3.98551
339 4YRY NAD 3.98551
340 5GZ6 NDP 3.98773
341 5GZ6 7C3 3.98773
342 3JYN NDP 4
343 2PV7 NAD 4.02685
344 4QED NAP 4.03226
345 4YAC NAI 4.0404
346 2B4R NAD 4.05797
347 2B4R AES 4.05797
348 4M52 FAD 4.07725
349 1EZ4 NAD 4.08805
350 3WV8 ATP 4.12844
351 4RDH AMP 4.16667
352 4RDI ATP 4.16667
353 5GT9 NAP 4.18251
354 1GUZ NAD 4.19355
355 1U3U NAD 4.24242
356 1U3U BNF 4.24242
357 4OOE FOM 4.24242
358 4OOE NDP 4.24242
359 2QRK AMP 4.24242
360 1DSS NAD 4.24242
361 3WQQ IB3 4.24242
362 3WQQ NDP 4.24242
363 2VYN NAD 4.24242
364 6ER9 FAD 4.24242
365 6ER9 NAP 4.24242
366 1X87 NAD 4.24242
367 2RAB NAD 4.24242
368 3LZW FAD 4.24242
369 3LZW NAP 4.24242
370 3WGT FAD 4.24242
371 2IVD FAD 4.24242
372 6DNT NAD 4.24242
373 1FDJ 13P 4.24242
374 3WGT QSC 4.24242
375 2GMH FAD 4.24242
376 6F7L FAD 4.24242
377 2RAB FAD 4.24242
378 2RI1 GLP 4.25532
379 2CVQ NDP 4.28135
380 1J5P NAD 4.34783
381 4D79 ATP 4.34783
382 5UAV NDP 4.34783
383 5UAV TFB 4.34783
384 4XYM COA 4.34783
385 1MXH DHF 4.34783
386 1MXH NAP 4.34783
387 2GN3 MAN 4.36508
388 2GN3 MMA 4.36508
389 2GNB MAN 4.36508
390 2GMM MAN MAN 4.36508
391 2GMP NAG MAN 4.36508
392 3B20 NAD 4.42478
393 1NYT NAP 4.42804
394 5EES NAP 4.45344
395 1NVM NAD 4.48718
396 5KKA 6V0 4.48718
397 1P1C SAH 4.52261
398 3H9E NAD 4.54545
399 1CER NAD 4.54545
400 5X68 FAD 4.54545
401 4JDR FAD 4.54545
402 4K5S PM0 4.54545
403 4K5S FAD 4.54545
404 3G5N PB2 4.54545
405 3AB1 FAD 4.54545
406 3GDN FAD 4.54545
407 3GDN HBX 4.54545
408 5BRT CH9 4.54545
409 5BRT FAD 4.54545
410 2DKH FAD 4.54545
411 1LDM NAD 4.55927
412 1O8B ABF 4.56621
413 2OOR NAD 4.5977
414 5BSH PRO 4.69314
415 5OJL TXP 4.69799
416 1VL1 CIT 4.74138
417 1QH9 LAC 4.74138
418 1RPN NDP 4.77612
419 5ZZ6 NAD 4.80769
420 5ZZ6 ADP 4.80769
421 3O26 NDP 4.82315
422 4XB2 NDP 4.84848
423 4XB2 HSE 4.84848
424 2JHF NAD 4.84848
425 1HDG NAD 4.84848
426 2IXB A2G 4.84848
427 2IXB NAD 4.84848
428 6A0S NDP 4.84848
429 6A0S HSE 4.84848
430 2ZB4 NAP 4.84848
431 2ZB4 5OP 4.84848
432 3H5N ATP 4.84848
433 4XZ3 COA 4.84848
434 5XWV 8H6 4.84848
435 5XWV NDP 4.84848
436 1DJN ADP 4.84848
437 3QWB NDP 4.84848
438 5NMX NAP 4.84848
439 5W3K 9TY 4.84848
440 1Q9I FAD 4.84848
441 1Q9I TEO 4.84848
442 5W3K NDP 4.84848
443 1HYH NAD 4.85437
444 5NII FAD 4.85437
445 1WOQ BGC 4.86891
446 5L53 NAP 4.93827
447 5TWB FAD 4.94186
448 5JE8 NAD 4.96689
449 2RH4 EMO 5.05415
450 4YCA NDP 5.10204
451 1KYQ NAD 5.10949
452 5CAE SIN 5.11182
453 5CAE COA 5.11182
454 1HYE NAP 5.11182
455 3GFB NAD 5.15152
456 1EBF NAD 5.15152
457 2B5W NAP 5.15152
458 6C4N NAP 5.15152
459 5BVA FAD 5.15152
460 2Z3Y F2N 5.15152
461 2GV8 FAD 5.15152
462 2GVC FAD 5.15152
463 5I39 FAD 5.15152
464 1NM5 NAD 5.15152
465 1VQW FAD 5.15152
466 2H7C SIA 5.15152
467 4OM8 NAD 5.17799
468 4USI AKG 5.19481
469 2DT5 NAD 5.21327
470 1LTH NAD 5.32915
471 4BVA NDP 5.45455
472 4BVA T3 5.45455
473 2GZ3 NAP 5.45455
474 2NPX NAD 5.45455
475 4PIV NDP 5.45455
476 2Q1W NAD 5.45455
477 1B8U OAA 5.47112
478 1B8U NAD 5.47112
479 3R51 MMA 5.625
480 4GUT FAD 5.64516
481 4GUS FAD 5.64516
482 4HSU FAD 5.64516
483 2ZB3 NDP 5.66572
484 4Q9N NAI 5.7047
485 1V6A TRE 5.75758
486 6F3N ADN 5.75758
487 6F3N NAD 5.75758
488 6F3M NAD 5.75758
489 1V59 NAD 5.75758
490 1I2B UPG 5.75758
491 1I2B NAD 5.75758
492 1I2B USQ 5.75758
493 5Y77 FAD 5.75758
494 5MZI FAD 5.75758
495 5MZI FYK 5.75758
496 1GET NAP 5.75758
497 1V59 FAD 5.75758
498 5NM7 GLY 5.75758
499 1DRV A3D 5.86081
500 3B1F NAD 5.86207
501 3U4C NDP 6.04982
502 1CDO NAD 6.06061
503 1WDK NAD 6.06061
504 2Q1S NAI 6.06061
505 5GSN FAD 6.06061
506 5GSN NAP 6.06061
507 2OG2 MLI 6.06061
508 4JJF N2I 6.06061
509 4JJF FE9 6.06061
510 5GSN MMZ 6.06061
511 4MOP 2H5 6.06061
512 5JCA NDP 6.06061
513 5JCA FAD 6.06061
514 4Z24 FAD 6.06061
515 2AG8 NAP 6.08365
516 1XG5 NAP 6.09319
517 1VM6 NAD 6.14035
518 1EDO NAP 6.14754
519 3H4V NAP 6.25
520 3H4V DVP 6.25
521 1A5Z NAD 6.26959
522 3A4V NAD 6.30915
523 3A4V PYR 6.30915
524 4ZA2 NAD 6.32411
525 2HJ9 AI2 6.33484
526 1PJS NAD 6.36364
527 1UWK URO 6.36364
528 1UWK NAD 6.36364
529 1X14 NAD 6.36364
530 1JX6 AI2 6.36364
531 3AD8 NAD 6.40394
532 3H8V ATP 6.50685
533 4GKV NAD 6.54762
534 6CI9 NAP 6.56371
535 4B4U NAP 6.60066
536 6AA8 NAD 6.62252
537 1D1T NAD 6.66667
538 1KEV NDP 6.66667
539 5YAP NAI 6.66667
540 5YAP 8S0 6.66667
541 5MQ6 NDP 6.66667
542 5MSO NAP 6.66667
543 3QJ4 FAD 6.66667
544 2E5V FAD 6.66667
545 1JNR FAD 6.66667
546 2WET FAD 6.66667
547 5Z75 NAD 6.72783
548 2FR1 NDP 6.79012
549 5VKT NAP 6.90608
550 1SAY PYR 6.92521
551 1KEW NAD 6.9697
552 5JWC FAD 6.9697
553 3K7M FAD 6.9697
554 4D04 FAD 6.9697
555 4D04 NAP 6.9697
556 3FWN ATR 6.9697
557 2YG3 FAD 6.9697
558 5GUD 2IT 6.9697
559 1KEW TYD 6.9697
560 5GUD NDP 6.9697
561 1Z82 NDP 6.9697
562 2PZM UDP 6.9697
563 2PZM NAD 6.9697
564 4QS9 BGC 6.9697
565 5GUD CIT 6.9697
566 3QDT A2G GAL 6.99301
567 2BKA NDP 7.02479
568 1E6E FAD 7.03125
569 3ICC NAP 7.05882
570 1YQD NAP 7.10383
571 2IZ1 ATR 7.27273
572 2CDC XYP 7.27273
573 2CDC NAP 7.27273
574 2CDC XYS 7.27273
575 5DF1 58X 7.27273
576 5DF1 NAP 7.27273
577 2WPF FAD 7.27273
578 2WPF WPF 7.27273
579 4JNA FAD 7.27273
580 3ULK NDP 7.27273
581 4XFR CIT 7.27273
582 1PS9 FAD 7.27273
583 5OC1 FAD 7.27273
584 2GAG NAD 7.27273
585 5FI3 NAP 7.28291
586 5AYV KPL 7.44337
587 5AYV NAP 7.44337
588 1I36 NAP 7.57576
589 4KP7 NAP 7.57576
590 4KP7 1UQ 7.57576
591 6EL3 NAP 7.57576
592 2DTX BMA 7.57576
593 2RGJ FAD 7.57576
594 2EV9 NAP 7.60456
595 2EV9 SKM 7.60456
596 2B4Q NAP 7.6087
597 5A96 GTP 7.63052
598 4CQM NAP 7.66284
599 2AHR NAP 7.72201
600 5LX9 OLB 7.74648
601 1FK8 NAD 7.7821
602 1PL6 572 7.87879
603 1PL6 NAD 7.87879
604 5BUK FAD 7.87879
605 1OBB NAD 7.87879
606 3OJO NAD 7.88863
607 3SJ7 NDP 7.93651
608 1WMA AB3 7.97101
609 1WMA NDP 7.97101
610 5G4L NDP 8.04196
611 2CDU ADP 8.18182
612 2I3G NAP 8.18182
613 2CDU FAD 8.18182
614 6C4M NAP 8.18182
615 1FWV SGA MAG FUC 8.20895
616 2F1K NAP 8.24373
617 1N5D NDP 8.33333
618 1P0Z FLC 8.39695
619 5H81 NAP 8.48485
620 5T9E NAP 8.48485
621 1R6D DAU 8.48485
622 1R6D NAD 8.48485
623 4A0S NAP 8.48485
624 5ZYN FAD 8.48485
625 1DIG L37 8.49673
626 1DIG NAP 8.49673
627 1LSS NAD 8.57143
628 5YSS NAD 8.59375
629 2Q2V NAD 8.62745
630 4IF4 BEF 8.65385
631 1P0F NAP 8.78788
632 4D5G TPP 8.78788
633 4D5G FAD 8.78788
634 2HMT NAI 9.02778
635 5N2I NAP 9.05172
636 3B8I OXL 9.05923
637 5YEC ATP 9.09091
638 3CGD COA 9.09091
639 3CGD NAD 9.09091
640 3CGD FAD 9.09091
641 1RKX NAD 9.09091
642 1ZK7 FAD 9.09091
643 5MIT NAP 9.17431
644 5MIT FAD 9.17431
645 4URF NAD 9.27419
646 1O94 ADP 9.375
647 1CF2 NAP 9.39394
648 6A3J SOE 9.39394
649 6A3J NAI 9.39394
650 3UCL NAP 9.39394
651 3UCL FAD 9.39394
652 3UCL CYH 9.39394
653 6GAR FAD 9.39394
654 5O4J SAH 9.48905
655 5O4J PJL 9.48905
656 5O4J 9KH 9.48905
657 1OAA OAA 9.65251
658 3AFN NAP 9.68992
659 4MP8 MLI 9.69697
660 4MP8 NAD 9.69697
661 3WLE NAD 9.69697
662 3JQ8 DX3 9.72222
663 4CLO NAP 9.72222
664 5JDC NAP 9.72222
665 3JQ7 NAP 9.72222
666 4CLR NAP 9.72222
667 3BMQ NAP 9.72222
668 3JQF NAP 9.72222
669 4CMI NAP 9.72222
670 4CM4 NAP 9.72222
671 3JQA NAP 9.72222
672 5K6A NAP 9.72222
673 4CME NAP 9.72222
674 4CM8 NAP 9.72222
675 3JQB NAP 9.72222
676 3BMO NAP 9.72222
677 4CM9 NAP 9.72222
678 3JQ9 NAP 9.72222
679 5JCJ NAP 9.72222
680 5JDI NAP 9.72222
681 5Z2F NAP 9.81132
682 4II2 ATP 9.81595
683 1YJQ NAP 9.90099
684 2BRY FAD 10
685 4TXI FAD 10
686 1RJW ETF 10
687 3NYC FAD 10
688 3NYC IAR 10
689 3HB5 NAP 10.0917
690 3RJ5 NAD 10.2362
691 1E5Q NDP 10.303
692 5ZBC FAD 10.303
693 3RKR NAP 10.3053
694 2VZ0 D64 10.4478
695 2VZ0 NAP 10.4478
696 2WD7 NAP 10.4478
697 1BDB NAD 10.4693
698 2HK9 NAP 10.5455
699 2HK9 ATR 10.5455
700 5YU3 PRO 10.6061
701 5YU3 NAD 10.6061
702 5L95 AMP 10.6061
703 1Q1R FAD 10.6061
704 5OCM NAP 10.6529
705 1VI2 NAD 10.6667
706 5T9F TYR 10.7011
707 5T9F NAP 10.7011
708 1NVT NAP 10.8014
709 4YSX FAD 10.8974
710 1ORR NAD 10.9091
711 2QA1 FAD 10.9091
712 2C29 NAP 10.9091
713 3QV1 NAD 10.9756
714 5THQ NDP 11.0294
715 1NPD NAD 11.1111
716 1X1T NAD 11.1538
717 5OOH NAP 11.165
718 5OOH 9ZZ 11.165
719 3OND NAD 11.2121
720 3OND ADN 11.2121
721 5TC4 NAD 11.7089
722 4O1M NAD 11.746
723 2BOS GLA GAL GLC 11.7647
724 2BOS GLA GAL GLC NBU 11.7647
725 1XHL NDP 11.7845
726 5O9F 9ON 11.8182
727 5O9F NAD 11.8182
728 3T31 FAD 11.8993
729 3T31 DCQ 11.8993
730 3OA2 NAD 11.9497
731 3B1J NAD 12
732 5T2U NAP 12.0968
733 3NJ4 NAD 12.1212
734 5M67 NAD 12.1212
735 5M67 ADE 12.1212
736 3NJ4 AFX 12.1212
737 5M67 3D1 12.1212
738 1Y8Q ATP 12.1212
739 2R4J FAD 12.1212
740 2R4J 13P 12.1212
741 4KOA NDP 12.4242
742 1N1G BCP 12.4242
743 4D3F NAP 12.5806
744 1LJ8 NAD 12.7273
745 1M2W NAD 12.7273
746 5X9D 80F 13.1579
747 2JL1 NAP 13.5889
748 3RNM FAD 13.7931
749 2FZW NAD 13.9394
750 1JAY NAP 14.1509
751 2YVF NAD 14.2424
752 2YVF FAD 14.2424
753 1BXK NAD 14.2424
754 1H82 FAD 14.2424
755 1H82 GZZ 14.2424
756 2YVJ NAI 14.6789
757 5EIN NAP 14.8148
758 1RM0 D6P 14.8485
759 1RM0 NAI 14.8485
760 1MO9 KPC 14.8485
761 1MO9 FAD 14.8485
762 5U5G NAP 14.9153
763 2ZXI FAD 15.1515
764 3WXB NDP 15.4122
765 3K5I AIR 15.4545
766 3TWO NDP 15.7576
767 2F5Z FAD 17.1875
768 2NU8 COA 17.3611
769 2ZJ1 ARJ 17.8788
770 2ZJ1 NAD 17.8788
771 5ODQ FAD 17.9348
772 2D5A COA 19.4444
773 5Z2L NDP 19.5918
774 1E7S NAP 19.6262
775 2DC1 NAD 20.7627
776 1V8B NAD 20.9091
777 5Y8L HUI 22.7119
778 5Y8L NAD 22.7119
779 5TOW ADN 23.6364
780 5TOW NAI 23.6364
781 2C7G FAD 25.4545
782 2C7G ODP 25.4545
783 2O4C NAD 27.8788
784 4XYB NDP 32.4242
785 2GSD NAD 32.4242
786 2NAD NAD 33.0303
787 1HKU NAD 33.9394
788 5DN9 NAD 34.8485
789 1SC6 NAD 36.0606
790 5Z20 NAI 38.4848
791 3KB6 NAD 40
792 1J49 NAD 40.303
793 4ZGS NAD 43.0303
794 5Z21 NAI 43.3333
795 3DDN HPV 43.9394
796 4E5N NAD 46.0606
797 5N6C NAD 48.6667
Pocket No.: 2; Query (leader) PDB : 2GCG; Ligand: NDP; Similar sites found with APoc: 63
This union binding pocket(no: 2) in the query (biounit: 2gcg.bio2) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 2JAC GSH None
2 1P31 EPU 1.51515
3 5YB7 FAD 1.81818
4 5YB7 ORN 1.81818
5 3BRE C2E 1.81818
6 3MAG SAH 1.9544
7 3NKS FAD 2.09644
8 4PVD NDP 2.12121
9 4PTN GXV 2.12121
10 5J60 FAD 2.1875
11 2J8Z NAP 2.42424
12 2WMO GTP 2.63158
13 3NDJ SAH 2.72727
14 3NDJ JHZ 2.72727
15 1WUU ANP 3.00752
16 1WVG APR 3.0303
17 1CZA GLC 3.0303
18 5XHA FRU 3.33333
19 1WPQ 13P 3.33333
20 2OWZ CIT 3.63636
21 3ITJ FAD 3.63636
22 3BWR GAL NGA SIA GAL BGC 3.67647
23 2Q3M MLA 3.68098
24 4DE3 DN8 3.80228
25 2XVE FAD 3.93939
26 4M52 M52 4.07725
27 2A8X FAD 4.09483
28 1L7E NAI 4.24242
29 2GNM MAN 4.36508
30 1UKG MMA 4.36508
31 1Q8V MAN MAN 4.36508
32 2PHX MAN MAN 4.36508
33 2GND MAN 4.36508
34 1Q8Q MAN MMA 4.36508
35 2PHU MAN MAN 4.36508
36 4PL9 ADP 4.37158
37 3HVJ 705 4.97738
38 5CLO NS8 5.08475
39 3BIB PSF 5.17241
40 5KUT GDP 5.29101
41 1C3M MAN MAN 5.44218
42 1SZ2 BGC 6.06061
43 2YIP YIO 6.52174
44 3JUC PCA 6.53595
45 1IK4 PGH 6.57895
46 2ZQO NGA 6.92308
47 5G3L SIA GAL 7.07071
48 5KVA SAM 7.27273
49 5WJ6 B4A 7.57576
50 2HYR BGC GLC 8.19672
51 2NU5 NAG 8.19672
52 2WQ4 SFU 8.97436
53 2JHP SAH 9.09091
54 3O8M GLC 9.09091
55 3O8M BGC 9.09091
56 5C8W PCG 9.09091
57 4TM3 FAD 9.39394
58 1RYI GOA 10.303
59 1RYI FAD 10.303
60 1EQ2 NAP 10.3226
61 3SSO SAH 11.5152
62 5Z84 PEK 13.6986
63 5Z21 OXM 43.3333
Pocket No.: 3; Query (leader) PDB : 2GCG; Ligand: DGY; Similar sites found with APoc: 116
This union binding pocket(no: 3) in the query (biounit: 2gcg.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3E5A VX6 0.746269
2 5XVG 8FX 1.02389
3 6BSX E7S 1.1236
4 5HES 032 1.30293
5 1KPH SAH 1.74216
6 5WP5 SAH 1.81818
7 4LY9 S6P 2.12121
8 1EYN 2AN 2.12121
9 3W9K MYR 2.15827
10 5D4V SAH 2.23881
11 3UDG TMP 2.32558
12 4B1V LAB 2.42424
13 4WB7 ATP 2.42424
14 5LI1 ANP 2.42424
15 1TT8 PHB 2.43902
16 5HGZ ACO 2.46914
17 5FBN 5WF 2.58303
18 4AUA 4AU 2.60586
19 5T8O 76Z 2.72727
20 3X01 AMP 2.72727
21 1UM0 FMN 2.72727
22 4KCF FMN 3.0303
23 2PI8 NAG NAG NAG NAG NAG NAG 3.0303
24 4WNP 3RJ 3.13589
25 5UR0 NAD 3.33333
26 3DLS ADP 3.33333
27 5DH3 5BS 3.49206
28 3SQG TP7 3.58423
29 3KV8 FAH 3.59712
30 1T9D FAD 3.63636
31 4Z0H NAD 3.63636
32 4H03 LAR 3.63636
33 1OZH HE3 3.63636
34 4DQL FAD 3.63636
35 3NUG NAD 3.64372
36 4RFM 3P6 3.7594
37 3BOF HCS 3.93939
38 6FKW PQQ 3.93939
39 1Q8A HCS 3.93939
40 5HSA FAS 3.93939
41 2D2I NAP 3.94737
42 4NVQ 2OD 4.21053
43 1U3U NAD 4.24242
44 1U3U BNF 4.24242
45 4PNE SAH 4.30464
46 4AT3 LTI 4.34783
47 3JVH HHV 4.37158
48 1P1C SAH 4.52261
49 1KPG SAH 4.52962
50 1CER NAD 4.54545
51 5XU2 8EL 4.54545
52 5XU2 TPP 4.54545
53 5XU2 F6R 4.54545
54 4R57 ACO 4.54545
55 3AI3 SOL 4.56274
56 5HTL C2E 4.82759
57 4YZC STU 4.84848
58 6A1G 9OL 4.84848
59 2ORV 4TA 5.12821
60 5USZ SKE 5.19031
61 3ZV6 4HB 5.33808
62 4WW7 AMP 5.36398
63 4PNI KQQ 5.45455
64 4PIV 2W4 5.45455
65 1TCO FK5 5.60748
66 2Y7I ARG 5.67686
67 5ND5 TPP 5.75758
68 3ZEI AWH 5.80645
69 3ZRM ZRM 6.06061
70 6FYV 3NG 6.06061
71 1CM8 ANP 6.06061
72 2AMT 1AA 6.28931
73 1L1E SAH 6.62021
74 5KOD AMP 6.66667
75 1QS0 TDP 6.66667
76 5F1V 3VN 6.73401
77 1Y75 NAG 6.77966
78 5UMY TNN 7.14286
79 5OKU 0L1 7.27273
80 5FI3 NAP 7.28291
81 5YEE LAB 7.35294
82 5AYV KPL 7.44337
83 3IDB ANP 7.45342
84 5O2D 9HH 7.5
85 1R9J TPP 7.57576
86 3ORK AGS 7.71704
87 6G33 5ID 8.78788
88 5X8I SQZ 8.78788
89 6C0T EE4 8.78788
90 3TKI S25 9.09091
91 5YEC ATP 9.09091
92 2WU6 DKI 9.09091
93 3G5D 1N1 9.09091
94 1CF2 NAP 9.39394
95 5ZZB LAB 9.55882
96 1U59 STU 9.7561
97 2P8O BVA 9.92366
98 6FYL 3NG 10
99 5G3N X28 11.0236
100 1IV2 CDP 11.1842
101 2Z9C DTC 11.5
102 2Z9C FMN 11.5
103 3B1J NAD 12
104 4WNK 453 13.0303
105 1LAF ARG 14.2857
106 3MN5 LAB 15.7895
107 4QA8 PJZ 16.1572
108 5A8R TP7 18.1818
109 5DI9 GNP 18.1818
110 4HAT GNP 18.5714
111 4B1X LAB 18.75
112 5Z20 OXM 38.4848
113 5Z20 NAI 38.4848
114 3KB6 LAC 40
115 5Z21 OXM 43.3333
116 4E5N NAD 46.0606
Pocket No.: 4; Query (leader) PDB : 2GCG; Ligand: NDP; Similar sites found with APoc: 13
This union binding pocket(no: 4) in the query (biounit: 2gcg.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 5C9P FUC 2.12121
2 5ZI9 FLC 2.30769
3 3ENV ABF 2.55319
4 2AWN ADP 3.33333
5 3GAC ENO 3.4188
6 4URS C2E 3.7234
7 5E70 RCD 4.24242
8 2QS8 MET 5.45455
9 1VKF CIT 5.85106
10 6BQ6 TER 6.06061
11 6CB2 OLC 6.82594
12 5WHU SIA 8.05369
13 1T0S BML 9.30233
Pocket No.: 5; Query (leader) PDB : 2GCG; Ligand: DGY; Similar sites found with APoc: 42
This union binding pocket(no: 5) in the query (biounit: 2gcg.bio1) has 10 residues
No: