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 (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 177 families.
1 4E5M - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 4E5N - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 4E5K - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 4NU5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 4E5P - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 4EBF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 3BAZ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
8 2GCG - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
9 2DBQ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
10 2DBZ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
11 5AOV - GLV C2 H2 O3 C(=O)C(=O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DGY; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 DGY 1 1
2 DE2 0.55 0.73913
3 LMR 0.52381 0.818182
4 DMR 0.52381 0.818182
5 MLT 0.52381 0.818182
6 LER 0.52381 0.833333
7 RSH 0.5 0.913043
8 2RH 0.5 0.6
9 DSN 0.47619 0.607143
10 SER 0.47619 0.607143
11 2HG 0.44 0.666667
12 S2G 0.44 0.666667
13 3LR 0.407407 0.782609
14 1N5 0.4 0.807692
Ligand no: 2; 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GCG; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2gcg.bio2) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2GCG; Ligand: NDP; Similar sites found: 413
This union binding pocket(no: 2) in the query (biounit: 2gcg.bio2) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1RP0 AHZ 0.003054 0.40702 None
2 2JAC GSH 0.04028 0.40114 None
3 1F06 NDP 0.0001854 0.45693 0.9375
4 1F06 2NP 0.0001854 0.45693 0.9375
5 4J36 1HR 0.005542 0.40871 1.21212
6 4J36 FAD 0.003243 0.40727 1.21212
7 3GGO ENO 0.0002193 0.46298 1.27389
8 3GGO NAI 0.0002193 0.46298 1.27389
9 2G5C NAD 0.00006744 0.46776 1.42349
10 1AE1 NAP 0.001421 0.42118 1.4652
11 2VHW NAI 0.00000507 0.52105 1.51515
12 2Y6Q FAD 0.002799 0.40848 1.51515
13 2Y6Q I7T 0.007546 0.40592 1.51515
14 4TQG NDP 0.0007719 0.42576 1.54799
15 4CJX NAP 0.001683 0.42157 1.5674
16 1LDN NAD 0.00003554 0.48009 1.58228
17 3O03 NAP 0.00218 0.40213 1.71821
18 1GR0 NAD 0.000003586 0.52368 1.81818
19 1MUU NAD 0.00006677 0.47779 1.81818
20 4W6Z 8ID 0.0001071 0.46901 1.81818
21 1MV8 NAD 0.00003748 0.4675 1.81818
22 4JBI NDP 0.001483 0.42378 1.81818
23 4XQC NAD 0.00002576 0.41764 1.81818
24 1Z45 NAD 0.001889 0.40663 1.81818
25 2AQJ TRP 0.01114 0.40652 1.81818
26 2AQJ FAD 0.01156 0.40652 1.81818
27 2GLX NDP 0.001231 0.40395 1.81818
28 4XQC 13D 0.00006446 0.40296 1.81818
29 3WMX NAD 0.004188 0.40294 1.81818
30 1TB4 PEJ 0.002801 0.4003 1.81818
31 3WBF NAP 0.0001661 0.45116 1.96721
32 3WBF API 0.0002399 0.42687 1.96721
33 3CH6 NAP 0.01126 0.40832 2.0979
34 3CH6 311 0.01126 0.40832 2.0979
35 1O0S NAI 0.00004616 0.49291 2.12121
36 1UP7 NAD 0.0001435 0.44168 2.12121
37 4B7X NAP 0.0001248 0.43601 2.12121
38 1OC2 NAD 0.003711 0.42504 2.12121
39 1GY8 NAD 0.001438 0.4183 2.12121
40 3ZNN FAD 0.009972 0.40785 2.12121
41 3ZNN 4WL 0.009972 0.40785 2.12121
42 1ZMD NAI 0.003993 0.4065 2.12121
43 1N9G NAP 0.001671 0.40464 2.12121
44 4FWE FAD 0.007243 0.40401 2.12121
45 4OPC PGT 0.04053 0.40142 2.12121
46 5D4V SAH 0.0008595 0.40337 2.23881
47 5X20 NAD 0.001777 0.4022 2.24359
48 1VL8 NAP 0.0005151 0.41513 2.24719
49 3VPH NAD 0.00003167 0.45698 2.25806
50 3VPH OXM 0.00004914 0.44148 2.25806
51 1WP4 NDP 0.00005877 0.4721 2.42215
52 2CVZ NDP 0.0002245 0.43969 2.42215
53 1ZH8 NAP 0.0001343 0.4509 2.42424
54 1YKF NAP 0.000183 0.44454 2.42424
55 4U7W NDP 0.0006255 0.43232 2.42424
56 1REO FAD 0.003138 0.41467 2.42424
57 3LAD FAD 0.005395 0.40824 2.42424
58 2J8Z NAP 0.002512 0.40624 2.42424
59 1LUA NAP 0.0006414 0.40405 2.43902
60 1T26 NAI 0.00002487 0.50207 2.48447
61 2A92 NAI 0.00002206 0.48974 2.49221
62 1O6Z NAD 0.0001264 0.43948 2.64026
63 1ZEM NAD 0.001486 0.40897 2.67176
64 9LDT NAD 0.000005129 0.51241 2.72727
65 9LDB NAD 0.000005976 0.50986 2.72727
66 1I0Z NAI 0.0000262 0.47563 2.72727
67 1KOL NAD 0.0001882 0.4594 2.72727
68 1H6C NDP 0.001016 0.43183 2.72727
69 4DPL NAP 0.0005042 0.42844 2.72727
70 1PZG A3D 0.00008728 0.42377 2.72727
71 1RM4 NDP 0.0007371 0.42275 2.72727
72 2V3A FAD 0.002987 0.41445 2.72727
73 4AP3 NAP 0.008171 0.41354 2.72727
74 1H6C SIN 0.003618 0.41221 2.72727
75 1XHC FAD 0.003156 0.41129 2.72727
76 1SB8 NAD 0.007082 0.40789 2.72727
77 1SB8 UD2 0.008584 0.40764 2.72727
78 3NDJ SAH 0.007424 0.40621 2.72727
79 3NDJ JHZ 0.007424 0.40621 2.72727
80 3GD4 FAD 0.01205 0.4051 2.72727
81 3GD4 NAD 0.01894 0.40508 2.72727
82 3G5S FAD 0.004856 0.40501 2.72727
83 4RVU NDP 0.0008797 0.40428 2.72727
84 2Q46 NAP 0.0003053 0.4411 2.7668
85 3ORF NAD 0.0003445 0.4391 2.78884
86 1OMO NAD 0.000007151 0.48445 2.79503
87 3CTY FAD 0.005665 0.40924 2.82132
88 4E13 NAD 0.0001228 0.42784 2.82686
89 1TDF FAD 0.007181 0.4068 2.8481
90 1TDF NAP 0.01704 0.40545 2.8481
91 4FC7 COA 0.002758 0.41996 2.88809
92 4FC7 NAP 0.002758 0.41996 2.88809
93 1W73 NAP 0.001803 0.42347 2.98013
94 4RQU NAD 0.00002935 0.47982 3.0303
95 1DLJ NAI 0.0001415 0.47928 3.0303
96 4MDH NAD 0.00004261 0.47751 3.0303
97 1VKO NAD 0.0000126 0.47633 3.0303
98 1DLJ UGA 0.0003443 0.46344 3.0303
99 5MDH NAD 0.00008504 0.45868 3.0303
100 2YYY NAP 0.0003074 0.44099 3.0303
101 1E3I CXF 0.00004685 0.43759 3.0303
102 1YB5 NAP 0.00111 0.42664 3.0303
103 3UOY NAP 0.009657 0.41429 3.0303
104 2V6G NAP 0.001853 0.41408 3.0303
105 3KLJ FAD 0.00425 0.4027 3.0303
106 1YS4 NAP 0.001145 0.40035 3.0303
107 4J7U YTZ 0.002472 0.42187 3.125
108 4J7U NAP 0.002472 0.42187 3.125
109 1G0N NDP 0.005388 0.40429 3.18021
110 1G0N PHH 0.006721 0.40346 3.18021
111 1Z6Z NAP 0.003594 0.40167 3.19149
112 4HXY NDP 0.0005005 0.43594 3.19635
113 4J1Q NDP 0.001813 0.40852 3.23276
114 1GQ2 NAP 0.00004482 0.47282 3.33333
115 1GAD NAD 0.00005572 0.46072 3.33333
116 1U8X NAD 0.00017 0.45781 3.33333
117 3CMC NAD 0.001142 0.4531 3.33333
118 1F8F NAD 0.00009586 0.44956 3.33333
119 1J0X NAD 0.0009182 0.44019 3.33333
120 4EDF UPG 0.003536 0.42022 3.33333
121 1YKJ FAD 0.006573 0.41887 3.33333
122 1FEC FAD 0.003732 0.41839 3.33333
123 5TQZ GLC 0.02499 0.41282 3.33333
124 5MBX SP5 0.009779 0.40678 3.33333
125 5MBX FAD 0.009779 0.40678 3.33333
126 4R1S NAP 0.003815 0.40454 3.33333
127 4EMI NAD 0.01468 0.40281 3.33333
128 2CUL FAD 0.005053 0.40212 3.44828
129 1R37 NAD 0.0003564 0.44587 3.45821
130 2QZZ NAP 0.002928 0.41369 3.45912
131 2QZZ EMF 0.004048 0.40921 3.45912
132 2AE2 NAP 0.001834 0.42502 3.46154
133 2YY7 NAD 0.003456 0.40365 3.52564
134 2Q0L NAP 0.001055 0.46014 3.53698
135 1GV0 NAD 0.00004322 0.47515 3.54839
136 1UXG NAD 0.00008483 0.47569 3.55987
137 1BW9 NAD 0.00001227 0.52191 3.63636
138 1X7D ORN 0.000005674 0.52068 3.63636
139 1C1X NAD 0.000004734 0.51909 3.63636
140 1X7D NAD 0.000005548 0.50736 3.63636
141 1BXG NAD 0.000005573 0.49814 3.63636
142 4PLG NAI 0.00002238 0.49718 3.63636
143 1LLU NAD 0.000006498 0.47528 3.63636
144 2DFV NAD 0.00006885 0.4619 3.63636
145 3V1Y NAD 0.0001352 0.46172 3.63636
146 3L4S 3PG 0.000143 0.45987 3.63636
147 3L4S NAD 0.0001309 0.45987 3.63636
148 4L8V NAP 0.0001157 0.45879 3.63636
149 5KVS NAP 0.0005214 0.44548 3.63636
150 3ETG GTP 0.000748 0.4448 3.63636
151 3ETG GLU 0.001256 0.44298 3.63636
152 3A06 NDP 0.0007976 0.43224 3.63636
153 1K3T BRZ 0.0007379 0.43223 3.63636
154 3A06 FOM 0.001013 0.43068 3.63636
155 1BZL FAD 0.01211 0.42181 3.63636
156 4IDC 1XX 0.001744 0.41773 3.63636
157 4IDC NDP 0.001744 0.41773 3.63636
158 4PLG OXM 0.01529 0.41171 3.63636
159 1RSG FAD 0.006407 0.40524 3.63636
160 1KNR FAD 0.007146 0.40142 3.63636
161 3ITJ FAD 0.01065 0.40064 3.63636
162 1YY5 FAD 0.009326 0.40046 3.63636
163 1C3V NDP 0.00004011 0.46272 3.67347
164 1P77 ATR 0.0001053 0.53943 3.67647
165 2Q3M MLA 0.0167 0.40644 3.68098
166 2VT3 ATP 0.0000004273 0.46423 3.72093
167 4J4H NAI 0.00005888 0.49168 3.861
168 4J4H 1J1 0.00005888 0.49168 3.861
169 4JK3 NAD 0.00001066 0.48834 3.861
170 5LD5 NAD 0.00001316 0.51558 3.93939
171 1U1I NAD 0.00001132 0.50422 3.93939
172 3ABI NAD 0.00001106 0.48978 3.93939
173 1H2B NAJ 0.000007743 0.47847 3.93939
174 1LVL NAD 0.0006444 0.45285 3.93939
175 3CIF NAD 0.0002052 0.44767 3.93939
176 3CIF G3H 0.0003951 0.44546 3.93939
177 1F8G NAD 0.002824 0.42176 3.93939
178 1PGP 6PG 0.001954 0.41947 3.93939
179 3DAG FEG 0.001026 0.40995 3.93939
180 2DM6 NAP 0.000264 0.40657 3.93939
181 2XVE FAD 0.01492 0.40251 3.93939
182 2D2I NAP 0.0001735 0.43399 3.94737
183 2HJR APR 0.00002055 0.50753 3.96341
184 1SOW NAD 0.00001741 0.49371 3.96341
185 5GZ6 NDP 0.00004486 0.50286 3.98773
186 5GZ6 7C3 0.00007341 0.48453 3.98773
187 3JYN NDP 0.001422 0.42117 4
188 2PV7 NAD 0.00008528 0.46584 4.02685
189 2B4R AES 0.0002701 0.4447 4.05797
190 2B4R NAD 0.0003949 0.43989 4.05797
191 4M52 FAD 0.004744 0.41049 4.07725
192 1EZ4 NAD 0.000004389 0.52039 4.08805
193 3WV8 ATP 0.00008631 0.4269 4.12844
194 4RDH AMP 0.00003236 0.53112 4.16667
195 4RDI ATP 0.00008609 0.4198 4.16667
196 5GT9 NAP 0.00414 0.40064 4.18251
197 1GUZ NAD 0.0000299 0.47951 4.19355
198 1U3U BNF 0.0000529 0.48891 4.24242
199 2QRK AMP 0.0004095 0.44863 4.24242
200 4OOE NDP 0.0003035 0.44789 4.24242
201 2VYN NAD 0.0005457 0.43149 4.24242
202 1DSS NAD 0.0003784 0.42684 4.24242
203 1U3U NAD 0.0000529 0.41658 4.24242
204 1X87 NAD 0.0005502 0.41383 4.24242
205 3WGT QSC 0.006558 0.41009 4.24242
206 3WGT FAD 0.006258 0.41009 4.24242
207 2RAB NAD 0.01249 0.40891 4.24242
208 3LZW FAD 0.005095 0.40525 4.24242
209 3LZW NAP 0.01195 0.40525 4.24242
210 2CVQ NDP 0.000139 0.45411 4.28135
211 1J5P NAD 0.0000001985 0.5678 4.34783
212 4D79 ATP 0.00001668 0.53247 4.34783
213 5UAV TFB 0.00006889 0.47655 4.34783
214 5UAV NDP 0.00006889 0.47655 4.34783
215 2GN3 MAN 0.004525 0.46729 4.36508
216 2GN3 MMA 0.005292 0.46079 4.36508
217 2GMM MAN MAN 0.02077 0.42723 4.36508
218 2GND MAN 0.0311 0.4129 4.36508
219 1Q8Q MAN MMA 0.03795 0.40766 4.36508
220 3B20 NAD 0.0004745 0.4183 4.42478
221 1NYT NAP 0.0004181 0.44584 4.42804
222 4K28 NAD 0.00001556 0.50317 4.46097
223 1NVM NAD 0.00003696 0.46516 4.48718
224 5KKA 6V0 0.0002353 0.43053 4.48718
225 1CER NAD 0.00006984 0.47303 4.54545
226 3H9E NAD 0.0001293 0.4477 4.54545
227 1LDM NAD 0.00003071 0.47326 4.55927
228 5BSH PRO 0.000104 0.46373 4.69314
229 4XB2 HSE 0.000004341 0.517 4.84848
230 4XB2 NDP 0.0000006883 0.51569 4.84848
231 1HDG NAD 0.00005415 0.48144 4.84848
232 4XZ3 COA 0.0004406 0.45215 4.84848
233 2ZB4 5OP 0.0006149 0.44164 4.84848
234 2ZB4 NAP 0.0005733 0.44164 4.84848
235 2IXB NAD 0.0004191 0.42563 4.84848
236 1DJN ADP 0.0008448 0.40623 4.84848
237 3MJE NDP 0.003622 0.40155 4.84848
238 1HYH NAD 0.000003867 0.49996 4.85437
239 5L53 NAP 0.002175 0.42658 4.93827
240 5JE8 NAD 0.00001843 0.50021 4.96689
241 3HVJ 705 0.005635 0.40246 4.97738
242 4YCA NDP 0.0004165 0.44247 5.10204
243 1KYQ NAD 0.00014 0.40983 5.10949
244 5CAE COA 0.00003601 0.49289 5.11182
245 1HYE NAP 0.00003733 0.45495 5.11182
246 5CAE SIN 0.00009899 0.4386 5.11182
247 3GFB NAD 0.00001253 0.49809 5.15152
248 1EBF NAD 0.00002465 0.46708 5.15152
249 2B5W NAP 0.0002727 0.41581 5.15152
250 2Z3Y F2N 0.007478 0.40345 5.15152
251 2GVC FAD 0.004695 0.40102 5.15152
252 3BIB PSF 0.02297 0.4134 5.17241
253 2DT5 NAD 0.000006983 0.50356 5.21327
254 1LTH NAD 0.000006404 0.48674 5.32915
255 2GZ3 NAP 0.0003744 0.46099 5.45455
256 4BVA NDP 0.0001258 0.45899 5.45455
257 4BVA T3 0.0002283 0.45867 5.45455
258 4PIV NDP 0.001047 0.42361 5.45455
259 1B8U OAA 0.0001565 0.45687 5.47112
260 1B8U NAD 0.00002381 0.45408 5.47112
261 4GUS FAD 0.00513 0.41098 5.64516
262 4GUT FAD 0.005963 0.4101 5.64516
263 4HSU FAD 0.007231 0.40494 5.64516
264 2ZB3 NDP 0.0006385 0.42889 5.66572
265 1V6A TRE 0.0007663 0.49535 5.75758
266 1I2B NAD 0.001917 0.43618 5.75758
267 1V59 FAD 0.005587 0.41037 5.75758
268 1GET NAP 0.01253 0.41004 5.75758
269 1GET FAD 0.01361 0.40732 5.75758
270 1DRV A3D 0.0003758 0.41947 5.86081
271 3B1F NAD 0.00008465 0.43781 5.86207
272 1CDO NAD 0.000034 0.47004 6.06061
273 2Q1S NAI 0.000528 0.44987 6.06061
274 1WDK NAD 0.00009393 0.43784 6.06061
275 4JJF N2I 0.00314 0.40392 6.06061
276 4JJF FE9 0.002408 0.40343 6.06061
277 2AG8 NAP 0.0001927 0.42253 6.08365
278 1VM6 NAD 0.00001135 0.48152 6.14035
279 1A5Z NAD 0.00002442 0.50924 6.26959
280 3A4V NAD 0.005951 0.40044 6.30915
281 3AD8 NAD 0.00474 0.40205 6.40394
282 3H8V ATP 0.00001482 0.44507 6.50685
283 3JUC PCA 0.04643 0.40066 6.53595
284 4GKV NAD 0.00001657 0.49778 6.54762
285 1IK4 PGH 0.01461 0.41362 6.57895
286 1D1T NAD 0.00002029 0.49114 6.66667
287 1KEV NDP 0.00004189 0.44915 6.66667
288 5MQ6 NDP 0.0007724 0.44201 6.66667
289 2WET FAD 0.007867 0.40165 6.66667
290 5MSO NAP 0.002412 0.40069 6.66667
291 2FR1 NDP 0.0004021 0.42242 6.79012
292 5VKT NAP 0.00009333 0.45528 6.90608
293 1SAY PYR 0.00009105 0.46896 6.92521
294 1KEW NAD 0.002012 0.43284 6.9697
295 4QS9 BGC 0.01182 0.42645 6.9697
296 1Z82 NDP 0.001668 0.41582 6.9697
297 1KEW TYD 0.005308 0.41468 6.9697
298 4D04 NAP 0.01192 0.40792 6.9697
299 2BKA NDP 0.0002784 0.44262 7.02479
300 1YQD NAP 0.00006326 0.44811 7.10383
301 2CDC XYP 0.0001445 0.49042 7.27273
302 2CDC XYS 0.0002482 0.48047 7.27273
303 2CDC NAP 0.0002482 0.48047 7.27273
304 2WPF FAD 0.01407 0.41847 7.27273
305 2WPF WPF 0.01576 0.41757 7.27273
306 4JNA FAD 0.007626 0.40219 7.27273
307 2GAG NAD 0.006102 0.40109 7.27273
308 5FI3 NAP 0.0002124 0.44239 7.28291
309 5AYV KPL 0.0002506 0.45319 7.44337
310 5AYV NAP 0.0001059 0.43928 7.44337
311 1I36 NAP 0.00002567 0.45787 7.57576
312 4KP7 NAP 0.002098 0.42948 7.57576
313 2DTX BMA 0.00176 0.42466 7.57576
314 4KP7 1UQ 0.002445 0.42305 7.57576
315 2EV9 NAP 0.0007063 0.4316 7.60456
316 2EV9 SKM 0.0007063 0.41484 7.60456
317 2AHR NAP 0.001341 0.41214 7.72201
318 2BH9 NAP 0.001555 0.45222 7.87879
319 1PL6 572 0.0003813 0.44194 7.87879
320 1PL6 NAD 0.00009574 0.4318 7.87879
321 1OBB NAD 0.001709 0.42442 7.87879
322 3OJO NAD 0.00007537 0.44467 7.88863
323 1WMA AB3 0.007969 0.40233 7.97101
324 2I3G NAP 0.0005351 0.42341 8.18182
325 2F1K NAP 0.00002597 0.48996 8.24373
326 5H81 NAP 0.00002124 0.51181 8.48485
327 5T9E NAP 0.0002099 0.44066 8.48485
328 1R6D NAD 0.002538 0.43033 8.48485
329 1R6D DAU 0.002471 0.43 8.48485
330 4A0S NAP 0.002371 0.4004 8.48485
331 1DIG L37 0.002373 0.41254 8.49673
332 1DIG NAP 0.002665 0.40931 8.49673
333 1LSS NAD 0.0002698 0.41483 8.57143
334 4IF4 BEF 0.01394 0.42387 8.65385
335 1P0F NAP 0.0001119 0.4625 8.78788
336 2HMT NAI 0.00005107 0.4434 9.02778
337 5N2I NAP 0.0007004 0.40254 9.05172
338 3O8M GLC 0.009155 0.42779 9.09091
339 3O8M BGC 0.009155 0.42779 9.09091
340 3CGD FAD 0.02065 0.405 9.09091
341 3CGD NAD 0.02065 0.405 9.09091
342 3CGD COA 0.02065 0.405 9.09091
343 1O94 ADP 0.001083 0.43251 9.375
344 1CF2 NAP 0.0001045 0.45114 9.39394
345 3UCL NAP 0.00412 0.4307 9.39394
346 3UCL CYH 0.004383 0.42764 9.39394
347 3UCL FAD 0.004383 0.42764 9.39394
348 5O4J SAH 0.003541 0.40699 9.48905
349 5O4J 9KH 0.003541 0.40699 9.48905
350 5O4J PJL 0.003586 0.40557 9.48905
351 1OAA OAA 0.006035 0.40721 9.65251
352 3AFN NAP 0.004355 0.40229 9.68992
353 4MP8 NAD 0.000002038 0.53821 9.69697
354 3WLE NAD 0.00009954 0.47027 9.69697
355 1YJQ NAP 0.0002094 0.45345 9.90099
356 2BRY FAD 0.002073 0.41481 10
357 1E5Q NDP 0.00005516 0.46939 10.303
358 2VZ0 D64 0.02449 0.40126 10.4478
359 2VZ0 NAP 0.02449 0.40126 10.4478
360 2HK9 NAP 0.0001385 0.4473 10.5455
361 2HK9 ATR 0.00006631 0.40171 10.5455
362 5L95 AMP 0.00006862 0.49975 10.6061
363 5T9F TYR 0.0004267 0.4038 10.7011
364 5T9F NAP 0.0006059 0.40267 10.7011
365 1NVT NAP 0.0006085 0.41756 10.8014
366 2V3B FAD 0.003431 0.41097 10.9091
367 1ORR NAD 0.003934 0.40401 10.9091
368 3QV1 NAD 0.0001094 0.46919 10.9756
369 1NPD NAD 0.004056 0.40907 11.1111
370 3JV7 NAD 0.00005024 0.46555 11.8182
371 3T31 DCQ 0.004387 0.42276 11.8993
372 3T31 FAD 0.004037 0.42276 11.8993
373 3OA2 NAD 0.0003846 0.43728 11.9497
374 3B1J NAD 0.0001248 0.45022 12
375 3NJ4 NAD 0.0004474 0.49318 12.1212
376 5M67 3D1 0.00009901 0.48461 12.1212
377 5M67 NAD 0.0001009 0.48427 12.1212
378 5M67 ADE 0.0001022 0.48405 12.1212
379 3NJ4 AFX 0.001006 0.47726 12.1212
380 1Y8Q ATP 0.000474 0.44717 12.1212
381 4KOA NDP 0.000271 0.4828 12.4242
382 1N1G BCP 0.003281 0.40947 12.4242
383 4D3F NAP 0.00002464 0.50907 12.5806
384 1M2W NAD 0.0002594 0.46173 12.7273
385 1LJ8 NAD 0.000121 0.43283 12.7273
386 3RNM FAD 0.006149 0.40688 13.7931
387 2FZW NAD 0.000154 0.47142 13.9394
388 1BXK NAD 0.0006266 0.42921 14.2424
389 1H82 GZZ 0.007175 0.41659 14.2424
390 2YVF FAD 0.007138 0.41602 14.2424
391 2YVF NAD 0.007405 0.41602 14.2424
392 1H82 FAD 0.0152 0.40018 14.2424
393 1MO9 FAD 0.0158 0.41059 14.8485
394 1MO9 KPC 0.01786 0.40876 14.8485
395 1RM0 NAI 0.00005121 0.40383 14.8485
396 1RM0 D6P 0.00002664 0.40334 14.8485
397 5U5G NAP 0.0001197 0.45658 14.9153
398 3TWO NDP 0.00005671 0.47844 15.7576
399 2F5Z FAD 0.006107 0.40701 17.1875
400 2NU8 COA 0.0001037 0.4509 17.3611
401 2DC1 NAD 0.00000493 0.50485 20.7627
402 1V8B NAD 0.00001454 0.50308 20.9091
403 2O4C NAD 0.000000005186 0.62755 27.8788
404 2GSD NAD 0.00000001009 0.62513 32.4242
405 4XYB NDP 0.000000001318 0.59978 32.4242
406 2NAD NAD 0.000000009609 0.62595 33.0303
407 1HKU NAD 0.00000000005675 0.6742 33.9394
408 1DXY NAD 0.000000007103 0.60536 34.8485
409 5DN9 NAD 0.000000002814 0.59634 34.8485
410 1SC6 NAD 0.000001948 0.53043 36.0606
411 3KB6 NAD 0.0000000001062 0.6792 40
412 1J49 NAD 0.000000001922 0.63909 40.303
413 4ZGS NAD 0.000000002056 0.61146 43.0303
Pocket No.: 3; Query (leader) PDB : 2GCG; Ligand: DGY; Similar sites found: 45
This union binding pocket(no: 3) in the query (biounit: 2gcg.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UTJ ABN 0.03388 0.41059 1.23967
2 5HES 032 0.01291 0.41217 1.30293
3 1KPH SAH 0.03995 0.40242 1.74216
4 1EYN 2AN 0.03261 0.41163 2.12121
5 5D4V SAH 0.0222 0.40131 2.23881
6 4B1Y LAB 0.01338 0.40418 2.42424
7 5LI1 ANP 0.02258 0.40392 2.42424
8 5HGZ ACO 0.02825 0.40476 2.46914
9 5FBN 5WF 0.01856 0.41958 2.58303
10 1UM0 FMN 0.02269 0.4096 2.72727
11 4KCF FMN 0.01878 0.40065 3.0303
12 3DLS ADP 0.007664 0.41919 3.33333
13 3SQG TP7 0.01095 0.40791 3.58423
14 4DQL FAD 0.03063 0.4032 3.63636
15 3NUG NAD 0.0481 0.40231 3.64372
16 3BOF HCS 0.001433 0.43651 3.93939
17 1Q8A HCS 0.00189 0.40321 3.93939
18 2D2I NAP 0.01442 0.42005 3.94737
19 1U3U BNF 0.04411 0.40787 4.24242
20 4PNE SAH 0.03693 0.40225 4.30464
21 1P1C SAH 0.03103 0.403 4.52261
22 3AI3 SOL 0.01065 0.40686 4.56274
23 4YZC STU 0.006827 0.44852 4.84848
24 3ZV6 4HB 0.03883 0.41102 5.33808
25 4WW7 AMP 0.03692 0.4005 5.36398
26 4PIV 2W4 0.02606 0.4041 5.45455
27 1TCO FK5 0.04942 0.40636 5.60748
28 3ZEI AWH 0.0198 0.41224 5.80645
29 3ZRM ZRM 0.009358 0.40821 6.06061
30 1CM8 ANP 0.01302 0.40189 6.06061
31 1L1E SAH 0.03111 0.40924 6.62021
32 1QS0 TDP 0.03687 0.40086 6.66667
33 1Y75 NAG 0.007491 0.41672 6.77966
34 5AYV KPL 0.03076 0.42397 7.44337
35 3IDB ANP 0.02362 0.40247 7.45342
36 3TKI S25 0.0295 0.4216 9.09091
37 5G3N X28 0.02249 0.4016 11.0236
38 1IV2 CDP 0.02963 0.40041 11.1842
39 2Z9C FMN 0.02408 0.40879 11.5
40 1LAF ARG 0.01759 0.41593 14.2857
41 3MN5 LAB 0.008963 0.41282 15.7895
42 4QA8 PJZ 0.002301 0.46961 16.1572
43 4HAT GNP 0.03201 0.41041 18.5714
44 3KB6 LAC 0.00000071 0.57533 40
45 3KB6 NAD 0.00907 0.44466 40
Pocket No.: 4; Query (leader) PDB : 2GCG; Ligand: NDP; Similar sites found: 10
This union binding pocket(no: 4) in the query (biounit: 2gcg.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4K26 SFF 0.004858 0.40469 2.17391
2 4K26 NDP 0.00341 0.40136 2.17391
3 2AWN ADP 0.01204 0.445 3.33333
4 1XSE NDP 0.005885 0.40243 3.38983
5 2DM6 IMN 0.0004108 0.4004 3.93939
6 4XFR CIT 0.03862 0.4054 7.27273
7 1FK8 NAD 0.005345 0.40275 7.7821
8 5THQ NDP 0.001873 0.40984 11.0294
9 5T2U NAP 0.00133 0.40347 12.0968
10 1E7S NAP 0.003536 0.40205 19.6262
Pocket No.: 5; Query (leader) PDB : 2GCG; Ligand: DGY; Similar sites found: 18
This union binding pocket(no: 5) in the query (biounit: 2gcg.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1F06 2NP 0.0486 0.4126 0.9375
2 1F06 NDP 0.0486 0.4126 0.9375
3 1RF6 S3P 0.04283 0.40116 2.12121
4 1RF6 GPJ 0.04283 0.40116 2.12121
5 4QHP 32Q 0.01721 0.41632 2.41379
6 4WB6 ATP 0.03168 0.40054 2.42424
7 4EO3 FMN 0.0325 0.40233 2.79503
8 4NNB OAA 0.02495 0.40296 3.0303
9 3FHI ANP 0.0293 0.4003 3.8961
10 3E8N ATP 0.03548 0.41322 5.45455
11 1TPY SAH 0.02943 0.41121 5.92335
12 5VC5 96M 0.03139 0.4011 6.22837
13 5IXH OTP 0.005194 0.46598 7.45342
14 3WLE NAD 0.02964 0.40537 9.69697
15 2DWU DGL 0.01836 0.40546 10.1449
16 2VVT I24 0.04158 0.401 12.4138
17 2WYV NAD 0.04636 0.40752 13.0268
18 5UWP GNP 0.04137 0.4015 18.1818
Pocket No.: 6; Query (leader) PDB : 2GCG; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2gcg.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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