Receptor
PDB id Resolution Class Description Source Keywords
3GD8 1.8 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HUMAN AQUAPORIN 4 AT 1.8 AND ITS MECHAN CONDUCTANCE HOMO SAPIENS BRAIN EDEMAAQUAPORIN PROTON EXCLUSION STRUCTURAL GENOMICSPROTEIN STRUCTURE INITIATIVE CENTER FOR STRUCTURES OF MEMBPROTEINS CSMP GLYCOPROTEIN MEMBRANE PHOSPHOPROTEIN TRANSMEMBRANE TRANSPORT MEMBRANE PROTEIN
Ref.: CRYSTAL STRUCTURE OF HUMAN AQUAPORIN 4 AT 1.8 A AND MECHANISM OF CONDUCTANCE. PROC.NATL.ACAD.SCI.USA V. 106 7437 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BOG A:473;
Valid;
none;
submit data
292.369 C14 H28 O6 CCCCC...
GOL A:1;
A:2;
A:3;
A:4;
A:6;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3GD8 1.8 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HUMAN AQUAPORIN 4 AT 1.8 AND ITS MECHAN CONDUCTANCE HOMO SAPIENS BRAIN EDEMAAQUAPORIN PROTON EXCLUSION STRUCTURAL GENOMICSPROTEIN STRUCTURE INITIATIVE CENTER FOR STRUCTURES OF MEMBPROTEINS CSMP GLYCOPROTEIN MEMBRANE PHOSPHOPROTEIN TRANSMEMBRANE TRANSPORT MEMBRANE PROTEIN
Ref.: CRYSTAL STRUCTURE OF HUMAN AQUAPORIN 4 AT 1.8 A AND MECHANISM OF CONDUCTANCE. PROC.NATL.ACAD.SCI.USA V. 106 7437 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 3GD8 - GOL C3 H8 O3 C(C(CO)O)O
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 3GD8 - GOL C3 H8 O3 C(C(CO)O)O
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 3GD8 - GOL C3 H8 O3 C(C(CO)O)O
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BOG; Similar ligands found: 76
No: Ligand ECFP6 Tc MDL keys Tc
1 BOG 1 1
2 HSJ 1 1
3 BNG 1 1
4 KGM 0.976744 1
5 B7G 0.976744 1
6 GLC HEX 0.909091 0.975
7 HEX GLC 0.909091 0.975
8 JZR 0.909091 0.975
9 BHG 0.909091 0.975
10 AFO 0.886364 0.904762
11 DEG 0.76087 0.9
12 LMT 0.719298 0.952381
13 UMQ 0.719298 0.952381
14 LMU 0.719298 0.952381
15 DMU 0.719298 0.952381
16 DR4 0.637931 0.904762
17 XNS 0.637931 0.904762
18 FK9 0.607143 0.904762
19 GLA GAL GLC NBU 0.548387 0.880952
20 BHE 0.545455 0.930233
21 BGB 0.542857 0.930233
22 BGL 0.526316 1
23 EBG 0.509091 0.785714
24 EBQ 0.509091 0.785714
25 6UZ 0.507463 0.795455
26 OPM MAN MAN 0.507246 0.928571
27 BHG FUC 0.492537 0.930233
28 FUC BHG 0.492537 0.930233
29 4YA 0.492537 0.930233
30 AOG FUC 0.485714 0.78
31 FEE 0.480519 0.754717
32 GLA GAL BGC 5VQ 0.47619 0.833333
33 GM3 0.473684 0.769231
34 MA4 0.465753 0.833333
35 AGH 0.461538 0.754717
36 PBS 0.461538 0.754717
37 0SH 0.461538 0.754717
38 DA8 0.458333 0.930233
39 10M 0.457143 0.888889
40 RGG 0.454545 0.731707
41 CM5 0.452055 0.833333
42 SOG 0.45 0.883721
43 MAN MMA 0.440678 0.744186
44 MMA 0.44 0.756098
45 AMG 0.44 0.756098
46 MBG 0.44 0.756098
47 GYP 0.44 0.756098
48 AIG FUC 0.43662 0.78
49 MAL EDO 0.435484 0.744186
50 03F 0.433735 0.740741
51 HTG 0.433333 0.883721
52 AD7 0.432432 0.769231
53 BGA 0.428571 0.727273
54 GAL SPH NER 0.428571 0.754717
55 BGC GLA 0.423729 0.738095
56 GLA BGC 0.423729 0.738095
57 MAN BMA 0.423729 0.738095
58 GAL GAL 0.423729 0.738095
59 LAK 0.423729 0.738095
60 MLB 0.423729 0.738095
61 BMA GLA 0.423729 0.738095
62 GLA BMA 0.423729 0.738095
63 GLA GLC 0.423729 0.738095
64 1O2 0.421687 0.909091
65 MK0 0.421053 0.784314
66 TRE 0.42 0.738095
67 GLA EGA 0.419355 0.785714
68 3TF 0.416667 0.909091
69 DGD 0.416667 0.888889
70 JLS 0.413793 0.740741
71 DLG FUC 0.410959 0.930233
72 GLC GLC GLC GLC BGC 0.409836 0.738095
73 GLC GLC GLC GLC GLC BGC 0.409836 0.738095
74 SER MAN 0.409836 0.625
75 MAN MAN MAN 0.409836 0.738095
76 GLC GLC GLC 0.409836 0.738095
Ligand no: 2; Ligand: GOL; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 GOL 1 1
2 SGM 0.538462 0.85
3 PGO 0.5 0.666667
4 DTL 0.5 0.863636
5 PGR 0.5 0.666667
6 MRY 0.5 0.863636
7 03W 0.461538 0.818182
8 SGL 0.4375 0.703704
9 MTL 0.4 0.904762
10 RB0 0.4 0.863636
11 XYL 0.4 0.863636
12 SOR 0.4 0.904762
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3GD8; Ligand: GOL; 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: 3gd8.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3GD8; Ligand: GOL; Similar sites found: 160
This union binding pocket(no: 2) in the query (biounit: 3gd8.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3BY8 MLT 0.001787 0.46128 None
2 3EJ0 11X 0.0007452 0.46091 None
3 1NU4 MLA 0.001109 0.44436 None
4 1Y1A GSH 0.03535 0.42897 None
5 1PTR PRB 0.009714 0.42647 None
6 3F81 STT 0.02462 0.41296 None
7 4G1V FAD 0.0005307 0.46299 1.34529
8 1QH9 LAC 0.006167 0.42959 1.34529
9 1DXY COI 0.02795 0.41643 1.34529
10 1YFZ IMP 0.01464 0.40724 1.46341
11 3CXO 1N5 0.0001122 0.43789 1.79372
12 4M5P MLA 0.02584 0.42521 1.79372
13 1J78 OLA 0.01104 0.40316 1.79372
14 4FGC PQ0 0.01523 0.40649 1.81818
15 4AF5 CIT 0.00792 0.42462 2.10526
16 4K49 HFQ 0.04942 0.40148 2.20588
17 4B16 NAG 0.03044 0.42136 2.24215
18 1RYD GLC 0.01682 0.40964 2.24215
19 2DUA OXL 0.0002055 0.40193 2.24215
20 2PMP C5P 0.002957 0.41258 2.5
21 1WRA PC 0.002369 0.45549 2.69058
22 2NLI LAC 0.0002131 0.45083 2.69058
23 2NLI FMN 0.0002131 0.45083 2.69058
24 4IVG ANP 0.0004845 0.43857 2.69058
25 4O8A 2OP 0.01292 0.43372 2.69058
26 4TSK NDP 0.001299 0.42887 2.69058
27 2Q3M MLA 0.02145 0.42238 2.69058
28 1ML4 PAL 0.0006273 0.41769 2.69058
29 1HQL GLA MBG 0.02333 0.40835 2.69058
30 2OG2 MLI 0.01466 0.40516 2.69058
31 4MOB ADP 0.004296 0.40046 2.69058
32 3QDW A2G 0.01098 0.43735 2.7972
33 3QDY CBS 0.01317 0.42019 2.7972
34 3QDT A2G GAL 0.02153 0.41585 2.7972
35 3QDW NDG 0.02422 0.40758 2.7972
36 3QDY A2G GAL 0.03566 0.40494 2.7972
37 1M7G ADX 0.0397 0.40613 2.8436
38 1M7G ADP 0.04382 0.40049 2.8436
39 1JGS SAL 0.02583 0.43318 2.89855
40 3VPQ GSH 0.01736 0.40396 2.94118
41 2GN2 C5P 0.00000871 0.49466 3.13901
42 2NZ2 ASP 0.000659 0.45993 3.13901
43 1XMV ADP 0.0001338 0.45876 3.13901
44 1OMZ UD2 0.0003447 0.43756 3.13901
45 3NOJ PYR 0.003378 0.43248 3.13901
46 2BGM NAJ 0.001426 0.42745 3.13901
47 1O9U ADZ 0.01717 0.42737 3.13901
48 4B9E FAH 0.0095 0.42693 3.13901
49 2NZ2 CIR 0.00009095 0.41931 3.13901
50 1MVQ MMA 0.00002359 0.41485 3.13901
51 3RKR NAP 0.008344 0.40369 3.13901
52 2BGM MAX 0.0006917 0.40325 3.13901
53 2NCD ADP 0.0195 0.40172 3.13901
54 1RZM E4P 0.03326 0.40098 3.13901
55 1NXJ GLV 0.0006622 0.45359 3.27869
56 1NXJ TLA 0.000426 0.43678 3.27869
57 3UIE ANP 0.00936 0.40168 3.5
58 1LTH FBP 0.00008924 0.51344 3.58744
59 1T26 NAI 0.00173 0.44321 3.58744
60 1T26 GBD 0.00173 0.44321 3.58744
61 1LTH OXM 0.001212 0.43726 3.58744
62 2BLE 5GP 0.002021 0.42366 3.58744
63 1CBF SAH 0.001174 0.42308 3.58744
64 2FMD MAN MAN 0.00006408 0.41635 3.58744
65 2IMP NAI 0.009318 0.40982 3.58744
66 2WL9 MBD 0.0005729 0.40575 3.58744
67 4JCA CIT 0.003091 0.47472 3.59281
68 1SS4 GSH 0.0007511 0.52657 3.92157
69 1SS4 CIT 0.04 0.42675 3.92157
70 2VQ5 HBA 0.01358 0.41956 3.9801
71 2VQ5 LDP 0.02879 0.41576 3.9801
72 2W24 LYS 0.00001108 0.43483 4
73 4GQB 0XU 0.00000811 0.50184 4.03587
74 1A8S PPI 0.00009371 0.47843 4.03587
75 1V5F FAD 0.001583 0.4607 4.03587
76 1V5F TPP 0.001583 0.4607 4.03587
77 3B9Z CO2 0.001641 0.45582 4.03587
78 2JBH 5GP 0.003985 0.42143 4.03587
79 3VCA PRO 0.00671 0.41955 4.03587
80 2OHV NHL 0.004855 0.41788 4.03587
81 1W55 C 0.002703 0.41116 4.03587
82 1RY2 AMP 0.0004473 0.41081 4.03587
83 3LOO B4P 0.04445 0.40919 4.03587
84 2ZJ5 ADP 0.01462 0.40728 4.03587
85 1W55 GPP 0.00003327 0.40614 4.03587
86 2BZ1 TAU 0.03221 0.42773 4.08163
87 4TMK T5A 0.0002746 0.47997 4.22535
88 3TKA CTN 0.004815 0.49109 4.4843
89 3Q3C NAD 0.0001657 0.45652 4.4843
90 3CBG 4FE 0.01443 0.43886 4.4843
91 3ZPG 5GP 0.0107 0.43793 4.4843
92 2OWZ CIT 0.0003389 0.42042 4.4843
93 2VJJ RAM GLC GAL NAG NAG GLC 0.001652 0.41981 4.4843
94 2ZWS PLM 0.04486 0.41953 4.4843
95 4KCF AKM 0.002772 0.41253 4.4843
96 2WIC GNP 0.0008023 0.403 4.4843
97 1H8P PC 0.0126 0.43428 4.58716
98 1BTN I3P 0.008395 0.4622 4.71698
99 1ZFJ IMP 0.00022 0.47792 4.93274
100 1TV5 ORO 0.0001947 0.44908 4.93274
101 3O03 NAP 0.001418 0.42753 4.93274
102 1PEA ACM 0.01308 0.42657 4.93274
103 1FNZ A2G 0.0006281 0.41181 4.93274
104 1YOE RIB 0.00001145 0.43403 4.96894
105 2GAG FAD 0.04737 0.41421 5.2381
106 1A5Z OXM 0.0000759 0.53646 5.38117
107 2H6B 3C4 0.001632 0.4238 5.38117
108 2WLT ASP 0.0000596 0.41395 5.38117
109 1A5Z FBP 0.001631 0.40569 5.38117
110 1NVU GTP 0.000506 0.44151 5.42169
111 3I8T LBT 0.0006387 0.46051 5.4878
112 1GXU 2HP 0.004253 0.40634 5.49451
113 1LDM OXM 0.001089 0.43912 5.8296
114 2IZ1 ATR 0.006635 0.42814 5.8296
115 1XX4 BAM 0.008275 0.4156 5.8296
116 2FWP CIT 0.0005926 0.41491 5.8296
117 1J2Z SOG 0.002777 0.40733 5.8296
118 4N69 SER 0.02696 0.4002 5.8296
119 43CA NPO 0.04955 0.42094 5.98291
120 1JOT GAL A2G 0.00007876 0.48474 6.01504
121 1JAC AMG 0.003914 0.46924 6.01504
122 1I9G SAM 0.00001101 0.49035 6.27803
123 1EDO NAP 0.0006629 0.44666 6.27803
124 3VOZ 04A 0.0002143 0.44505 6.27803
125 3PHQ KDO 0.006989 0.47372 6.30631
126 2Q37 3AL 0.01056 0.41353 6.62983
127 3EYK EYK 0.002304 0.4491 6.72646
128 4U36 TNR 0.00005097 0.4379 6.72646
129 4N02 FNR 0.001207 0.42668 6.72646
130 1IZC PYR 0.0007873 0.40865 6.72646
131 4GO7 THR 0.01322 0.40715 6.72646
132 2WGC SIA GAL BGC 0.03035 0.4292 7.01754
133 2J5S KTA 0.002245 0.40472 7.17489
134 1Q3Q ANP 0.001231 0.42968 7.62332
135 1OFH ADP 0.001408 0.42842 7.62332
136 1ULE GLA GAL NAG 0.02961 0.40897 8
137 4RJK PYR 0.002137 0.49405 8.07175
138 3K3G MMU 0.00299 0.43478 8.07175
139 1E4I NFG 0.00007144 0.4219 8.07175
140 3O2K QRP 0.009438 0.40154 8.07175
141 1CFV E3G 0.000171 0.4163 8.40336
142 4E28 9MZ 0.002294 0.44919 8.52018
143 1GPJ CIT 0.006283 0.42922 8.52018
144 1GSA ADP 0.001128 0.42413 8.52018
145 3IB9 BTN 0.03545 0.4023 8.52018
146 1JA9 NDP 0.00002413 0.4984 8.96861
147 1QO0 BMD 0.007224 0.42645 9.18367
148 4Q3F TLA 0.004569 0.43554 9.40171
149 4LHM AZZ 0.0182 0.40305 9.41704
150 4JP3 CIT 0.007062 0.40232 9.86547
151 1ZJ6 G3D 0.001154 0.4329 10.1604
152 2HVK TBA 0.0149 0.41206 10.3139
153 4OYA 1VE 0.001877 0.44386 10.7623
154 2BNE U5P 0.001436 0.406 10.7623
155 3IHB TRS 0.0002622 0.59319 11.2108
156 1SAZ ACP 0.01093 0.4062 11.2108
157 1SC3 MLI 0.02463 0.41295 13.6364
158 4HZX G39 0.0003185 0.43416 15.6951
159 3KPE TM3 0.0004405 0.48185 21.5686
160 1UQX MMA 0.0001926 0.42024 24.7788
Pocket No.: 3; Query (leader) PDB : 3GD8; Ligand: BOG; Similar sites found: 163
This union binding pocket(no: 3) in the query (biounit: 3gd8.bio1) has 5 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3CL7 HYN 0.0001017 0.53021 None
2 4HGP KDO 0.0009146 0.49811 None
3 2PAR TMP 0.001908 0.49003 None
4 3H86 AP5 0.002245 0.48921 None
5 3VKX T3 0.001242 0.47045 None
6 1NU4 MLA 0.002072 0.45358 None
7 3F81 STT 0.003629 0.41411 None
8 1T8U UAP SGN IDS SGN 0.02782 0.42517 0.896861
9 4G1V FAD 0.005444 0.44978 1.34529
10 4LWM MHO 0.00372 0.44374 1.38249
11 3CXO 1N5 0.000002526 0.62143 1.79372
12 3CXO 3LR 0.00003048 0.56359 1.79372
13 2YD6 FLC 0.007208 0.44726 1.88679
14 1H8G CHT 0.009653 0.41977 2.10526
15 2DUA OXL 0.00005589 0.53427 2.24215
16 2AEB ABH 0.001781 0.4815 2.24215
17 2EFJ SAH 0.0161 0.41214 2.24215
18 1SBZ FMN 0.001817 0.47912 2.53807
19 4TSK NDP 0.00000009246 0.7318 2.69058
20 2NLI LAC 0.0000009028 0.67178 2.69058
21 2NLI FMN 0.0000009028 0.67178 2.69058
22 4IVG ANP 0.000005422 0.63064 2.69058
23 4TSK TLA 0.000007994 0.5749 2.69058
24 2HCR AMP 0.00009786 0.50795 2.69058
25 1V1A KDG 0.001468 0.46694 2.69058
26 1V1A ADP 0.005859 0.44956 2.69058
27 4GYW UDP 0.008051 0.44762 2.69058
28 1B74 DGN 0.0007372 0.4443 2.69058
29 4DXJ 0M9 0.005079 0.42696 2.69058
30 2XK9 XK9 0.02397 0.42453 2.69058
31 4IS0 1R4 0.01252 0.42441 2.69058
32 4LNL PLG 0.009665 0.4186 2.69058
33 1PL6 572 0.03546 0.41472 2.69058
34 1PL6 NAD 0.02038 0.41404 2.69058
35 3ZGE ASP 0.007357 0.4007 2.69058
36 2PWY SAH 0.01187 0.42712 2.71318
37 1ZGA SAH 0.009469 0.41902 2.80112
38 2BGM NAJ 0.00000465 0.64078 3.13901
39 1XMV ADP 0.00001158 0.61434 3.13901
40 1OMZ UD2 0.00001091 0.60741 3.13901
41 2BGM MAX 0.00001257 0.57479 3.13901
42 2NZ2 ASP 0.00000007949 0.51856 3.13901
43 2NT8 ATP 0.001049 0.4869 3.13901
44 3TO7 COA 0.007021 0.45615 3.13901
45 1R37 NAD 0.007142 0.45143 3.13901
46 2YVF FAD 0.03004 0.43851 3.13901
47 4PO2 ASN ARG LEU LEU LEU THR GLY 0.01435 0.42151 3.13901
48 3NOJ PYR 0.0003217 0.41919 3.13901
49 1DSS NAD 0.02322 0.41562 3.13901
50 1CL2 PPG 0.01721 0.41435 3.13901
51 4NES UD1 0.02869 0.40185 3.13901
52 1VPO TES 0.01647 0.42161 3.19635
53 2IMP NAI 0.0000002638 0.72573 3.58744
54 1T26 NAI 0.0002046 0.57387 3.58744
55 1T26 GBD 0.0002046 0.57387 3.58744
56 2BLE 5GP 0.0004335 0.53707 3.58744
57 1LTH FBP 0.0000004319 0.53042 3.58744
58 2IMP LAC 0.0005317 0.48718 3.58744
59 4NTD FAD 0.03064 0.42298 3.58744
60 4LSJ LSJ 0.02249 0.41035 3.58744
61 3KJI ADP 0.02241 0.40333 3.58744
62 1LTH OXM 0.00005318 0.40296 3.58744
63 4JCA CIT 0.007903 0.41487 3.59281
64 3S2Y FMN 0.008608 0.42312 4.0201
65 1V5F TPP 0.00001498 0.65771 4.03587
66 1V5F FAD 0.00001498 0.65771 4.03587
67 4GQB 0XU 0.00001752 0.60589 4.03587
68 1W55 C 0.0001061 0.56032 4.03587
69 3A8U PLP 0.00006159 0.54091 4.03587
70 1RY2 AMP 0.0006609 0.49206 4.03587
71 1D09 PAL 0.01823 0.46866 4.03587
72 1W55 GPP 0.00116 0.46194 4.03587
73 4C0C WVH 0.01418 0.44586 4.03587
74 1SOW NAD 0.01988 0.4265 4.03587
75 1NW5 SAM 0.01048 0.42479 4.03587
76 1IYE PGU 0.02077 0.42438 4.03587
77 1NZY BCA 0.01867 0.42303 4.03587
78 2BZ1 TAU 0.0000612 0.53081 4.08163
79 4TMK T5A 0.0003739 0.56588 4.22535
80 4KCF FMN 0.00001123 0.59851 4.4843
81 3Q3C NAD 0.00003027 0.59329 4.4843
82 4KCF AKM 0.000294 0.539 4.4843
83 2PNZ 5GP 0.00002248 0.53244 4.4843
84 2ZWS PLM 0.0007264 0.47658 4.4843
85 2PNZ UDP 0.00186 0.4699 4.4843
86 2VJJ RAM GLC GAL NAG NAG GLC 0.01113 0.45509 4.4843
87 3CBG 4FE 0.001329 0.45202 4.4843
88 3TKA CTN 0.009054 0.4429 4.4843
89 2AMV BIN 0.03264 0.43055 4.4843
90 4LWA Q13 0.03239 0.42264 4.4843
91 1UUY PPI 0.00001088 0.50674 4.79042
92 3O03 NAP 0.0000229 0.60374 4.93274
93 1ZFJ IMP 0.0006877 0.54545 4.93274
94 3O03 GCO 0.00004387 0.52873 4.93274
95 1MG1 MAL 0.01056 0.42802 4.93274
96 1KBJ FMN 0.0451 0.40117 4.93274
97 1XNK XS2 0.01432 0.41261 5.10204
98 2H6B 3C4 0.0004076 0.53513 5.38117
99 1OTH PAO 0.0003944 0.51261 5.38117
100 2QIA U20 0.007987 0.46508 5.38117
101 1A5Z OXM 0.0002987 0.4614 5.38117
102 3OZG SSI 0.005704 0.4316 5.38117
103 5T0A A3P 0.007175 0.42122 5.38117
104 1NVU GTP 0.00008783 0.57066 5.42169
105 3I8T LBT 0.000001771 0.47233 5.4878
106 1NPL MAN 0.000058 0.53802 5.50459
107 2FWP CIT 0.000004668 0.60802 5.8296
108 2FWP ICR 0.00002042 0.58225 5.8296
109 1GAD NAD 0.004884 0.45069 5.8296
110 1XX4 BAM 0.0007234 0.40152 5.8296
111 2XI7 XI7 0.001218 0.46525 5.97826
112 43CA NPO 0.005223 0.43779 5.98291
113 1JOT GAL A2G 0.00001164 0.42332 6.01504
114 1JAC AMG 0.01045 0.40903 6.01504
115 1I9G SAM 0.000001046 0.66322 6.27803
116 1EDO NAP 0.0003481 0.54834 6.27803
117 3VHZ L2P GLC MAN SGA 0.002392 0.50177 6.27803
118 3VHZ SOG 0.002096 0.50177 6.27803
119 3VOZ 04A 0.000000001371 0.47583 6.27803
120 1GVF PGH 0.006965 0.41523 6.27803
121 4RNV HBA 0.02576 0.40232 6.27803
122 4RNV FMN 0.02464 0.40232 6.27803
123 4UBP HAE 0.02295 0.40911 6.34921
124 1B66 BIO 0.008218 0.43335 6.42857
125 4N02 FNR 0.00001304 0.61269 6.72646
126 4U36 TNR 0.00001002 0.57961 6.72646
127 1HEX NAD 0.02317 0.41832 6.72646
128 1C3M MAN MAN 0.0000185 0.54634 6.80272
129 2WGC SIA GAL BGC 0.008823 0.42175 7.01754
130 1NME 159 0.00000158 0.59653 7.6087
131 1Q3Q ANP 0.00001195 0.61885 7.62332
132 1OFH ADP 0.001755 0.47114 7.62332
133 1P9P SAH 0.008241 0.43329 7.62332
134 2P4T NAP 0.000006658 0.60027 8.06452
135 1SSQ CYS 0.007679 0.46115 8.07175
136 3K3G MMU 0.0004557 0.40132 8.07175
137 1GSA ADP 0.000002088 0.65008 8.52018
138 1GSA GSH 0.00009588 0.55586 8.52018
139 1C4U IH1 0.008126 0.42922 8.52018
140 1O0D 163 0.02488 0.40305 8.52018
141 1JA9 NDP 0.00003783 0.60082 8.96861
142 1JA9 PYQ 0.00006531 0.54707 8.96861
143 1FIQ MTE 0.00259 0.46868 8.96861
144 1FIQ SAL 0.002942 0.46855 8.96861
145 4Q3F TLA 0.0001147 0.42896 9.40171
146 1RRC ADP 0.0001168 0.52325 9.41704
147 1VJT NAD 0.01568 0.41631 9.41704
148 2V9M CIT 0.000006564 0.5607 9.86547
149 3V1U HXC 0.005233 0.42635 9.86547
150 2HVK TBA 0.0001406 0.44183 10.3139
151 2BNE U5P 0.0002026 0.52938 10.7623
152 4OYA 1VE 0.003682 0.50547 10.7623
153 3IHB TRS 0.0001629 0.48247 11.2108
154 1SAZ ACP 0.01608 0.46084 11.2108
155 1F74 NAY 0.02488 0.40116 11.6592
156 3ACC 5GP 0.0113 0.40832 13.2597
157 3FED BIX 0.01544 0.41301 13.4529
158 4DQ2 BTX 0.03596 0.40991 14.3498
159 4HZX G39 0.000000191 0.69262 15.6951
160 3C1O NAP 0.002549 0.46153 15.6951
161 3PNL ADP 0.01637 0.4187 17.0404
162 3HQJ COA 0.001426 0.4645 23.0769
163 1UQX MMA 0.00000319 0.60401 24.7788
Pocket No.: 4; Query (leader) PDB : 3GD8; Ligand: GOL; 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: 3gd8.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3GD8; Ligand: GOL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3gd8.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3GD8; Ligand: GOL; 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: 3gd8.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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