Receptor
PDB id Resolution Class Description Source Keywords
4ZBC 2 Å EC: 5.3.1.5 A DEHYDRATED FORM OF GLUCOSE ISOMERASE COLLECTED AT 100K. STREPTOMYCES RUBIGINOSUS ISOMERASE
Ref.: A GENERIC PROTOCOL FOR PROTEIN CRYSTAL DEHYDRATION HC1B HUMIDITY CONTROLLER. ACTA CRYSTALLOGR D STRUCT V. 72 629 2016 BIOL
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN A:404;
B:402;
B:404;
B:405;
A:401;
B:401;
A:405;
A:406;
B:403;
A:403;
A:402;
Part of Protein;
Part of Protein;
Part of Protein;
Invalid;
Part of Protein;
Part of Protein;
Part of Protein;
Invalid;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
GLC B:406;
A:408;
A:407;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
GLC:B:407 :0;
Valid;
none;
submit data n/a n/a n/a n/a
FRU A:410;
B:408;
A:409;
B:409;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GYI 1.6 Å EC: 5.3.1.5 DESIGN, SYNTHESIS, AND CHARACTERIZATION OF A POTENT XYLOSE I INHIBITOR, D-THREONOHYDROXAMIC ACID, AND HIGH-RESOLUTION X-C RYSTALLOGRAPHIC STRUCTURE OF THE ENZYME-INHIBITOR COMPLEX STREPTOMYCES OLIVOCHROMOGENES ISOMERASE(INTRAMOLECULAR OXIDOREDUCTASE)
Ref.: DESIGN, SYNTHESIS, AND CHARACTERIZATION OF A POTENT ISOMERASE INHIBITOR, D-THREONOHYDROXAMIC ACID, AND HIGH-RESOLUTION X-RAY CRYSTALLOGRAPHIC STRUCTURE OF ENZYME-INHIBITOR COMPLEX BIOCHEMISTRY V. 34 3742 1995
Members (32)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1S5M - GLC C6 H12 O6 C([C@@H]1[....
2 3KBM - GLC C6 H12 O6 C([C@@H]1[....
3 4QEH - 32O C5 H10 O5 C([C@H]1[C....
4 3U3H - 03W C3 H8 O4 C([C@H](C(....
5 1XID - ASC C6 H8 O6 C([C@@H]([....
6 4DUO - XYL C5 H12 O5 C([C@@H](C....
7 4QE5 - RUU C5 H10 O5 C1[C@@H]([....
8 1XIH - SOR C6 H14 O6 C([C@@H]([....
9 4ZBC - GLC C6 H12 O6 C([C@@H]1[....
10 4QEE - Z6J C5 H10 O5 C([C@H]1[C....
11 1XIG - XYL C5 H12 O5 C([C@@H](C....
12 1XYC - 3MF C7 H14 O6 CO[C@@H]([....
13 2XIS - XYL C5 H12 O5 C([C@@H](C....
14 1XYM - GLO C6 H12 O6 C([C@H]([C....
15 8XIA - XLS C5 H10 O5 C([C@H]([C....
16 1XIJ - THE C4 H7 O5 C([C@H]([C....
17 4XIS - XLS C5 H10 O5 C([C@H]([C....
18 1GW9 - LXC C5 H10 O5 C1[C@@H]([....
19 1XIC - XLS C5 H10 O5 C([C@H]([C....
20 1XII - XUL C5 H10 O5 C([C@H]([C....
21 4ZB5 - GLC C6 H12 O6 C([C@@H]1[....
22 1XYB - GLO C6 H12 O6 C([C@H]([C....
23 4ZB2 - FRU C6 H12 O6 C([C@@H]1[....
24 4QE4 - 34V C5 H10 O5 C1[C@@H]([....
25 4ZB0 - GLC C6 H12 O6 C([C@@H]1[....
26 2GYI Ki = 100 nM HYA C4 H9 N O5 C([C@H]([C....
27 4QE1 - RUU C5 H10 O5 C1[C@@H]([....
28 1S5N - XYL C5 H12 O5 C([C@@H](C....
29 1XIF - GLC C6 H12 O6 C([C@@H]1[....
30 3XIS - XLS C5 H10 O5 C([C@H]([C....
31 1XIE - ASO C6 H12 O5 C1[C@@H]([....
32 3KBN - GLO C6 H12 O6 C([C@H]([C....
70% Homology Family (52)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1S5M - GLC C6 H12 O6 C([C@@H]1[....
2 3KBM - GLC C6 H12 O6 C([C@@H]1[....
3 4QEH - 32O C5 H10 O5 C([C@H]1[C....
4 3U3H - 03W C3 H8 O4 C([C@H](C(....
5 1XID - ASC C6 H8 O6 C([C@@H]([....
6 4DUO - XYL C5 H12 O5 C([C@@H](C....
7 4QE5 - RUU C5 H10 O5 C1[C@@H]([....
8 1XIH - SOR C6 H14 O6 C([C@@H]([....
9 4ZBC - GLC C6 H12 O6 C([C@@H]1[....
10 4QEE - Z6J C5 H10 O5 C([C@H]1[C....
11 1XIG - XYL C5 H12 O5 C([C@@H](C....
12 1XYC - 3MF C7 H14 O6 CO[C@@H]([....
13 2XIS - XYL C5 H12 O5 C([C@@H](C....
14 1XYM - GLO C6 H12 O6 C([C@H]([C....
15 8XIA - XLS C5 H10 O5 C([C@H]([C....
16 1XIJ - THE C4 H7 O5 C([C@H]([C....
17 4XIS - XLS C5 H10 O5 C([C@H]([C....
18 1GW9 - LXC C5 H10 O5 C1[C@@H]([....
19 1XIC - XLS C5 H10 O5 C([C@H]([C....
20 1XII - XUL C5 H10 O5 C([C@H]([C....
21 4ZB5 - GLC C6 H12 O6 C([C@@H]1[....
22 1XYB - GLO C6 H12 O6 C([C@H]([C....
23 4ZB2 - FRU C6 H12 O6 C([C@@H]1[....
24 4QE4 - 34V C5 H10 O5 C1[C@@H]([....
25 4ZB0 - GLC C6 H12 O6 C([C@@H]1[....
26 2GYI Ki = 100 nM HYA C4 H9 N O5 C([C@H]([C....
27 4QE1 - RUU C5 H10 O5 C1[C@@H]([....
28 1S5N - XYL C5 H12 O5 C([C@@H](C....
29 1XIF - GLC C6 H12 O6 C([C@@H]1[....
30 3XIS - XLS C5 H10 O5 C([C@H]([C....
31 1XIE - ASO C6 H12 O5 C1[C@@H]([....
32 3KBN - GLO C6 H12 O6 C([C@H]([C....
33 1DID - DIG C6 H13 N O4 C([C@H]1[C....
34 1XLC - XYL C5 H12 O5 C([C@@H](C....
35 1XLJ - XYL C5 H12 O5 C([C@@H](C....
36 1DIE - NOJ C6 H13 N O4 C1[C@@H]([....
37 1XLF - GCO C6 H12 O7 C([C@H]([C....
38 4XIA - SOR C6 H14 O6 C([C@@H]([....
39 1XLM - XYL C5 H12 O5 C([C@@H](C....
40 5XIA - XYL C5 H12 O5 C([C@@H](C....
41 1XLI Ki = 33 mM GLT C6 H12 O5 S C([C@@H]1[....
42 1XLG - XYL C5 H12 O5 C([C@@H](C....
43 1XLD - XYL C5 H12 O5 C([C@@H](C....
44 2XIN - SOR C6 H14 O6 C([C@@H]([....
45 8XIM - XLS C5 H10 O5 C([C@H]([C....
46 1XIM - XYL C5 H12 O5 C([C@@H](C....
47 2XIM - XYL C5 H12 O5 C([C@@H](C....
48 1XIN - XYL C5 H12 O5 C([C@@H](C....
49 3XIM - SOR C6 H14 O6 C([C@@H]([....
50 5XIN - XLS C5 H10 O5 C([C@H]([C....
51 9XIM - XLS C5 H10 O5 C([C@H]([C....
52 6XIM - XLS C5 H10 O5 C([C@H]([C....
50% Homology Family (52)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1S5M - GLC C6 H12 O6 C([C@@H]1[....
2 3KBM - GLC C6 H12 O6 C([C@@H]1[....
3 4QEH - 32O C5 H10 O5 C([C@H]1[C....
4 3U3H - 03W C3 H8 O4 C([C@H](C(....
5 1XID - ASC C6 H8 O6 C([C@@H]([....
6 4DUO - XYL C5 H12 O5 C([C@@H](C....
7 4QE5 - RUU C5 H10 O5 C1[C@@H]([....
8 1XIH - SOR C6 H14 O6 C([C@@H]([....
9 4ZBC - GLC C6 H12 O6 C([C@@H]1[....
10 4QEE - Z6J C5 H10 O5 C([C@H]1[C....
11 1XIG - XYL C5 H12 O5 C([C@@H](C....
12 1XYC - 3MF C7 H14 O6 CO[C@@H]([....
13 2XIS - XYL C5 H12 O5 C([C@@H](C....
14 1XYM - GLO C6 H12 O6 C([C@H]([C....
15 8XIA - XLS C5 H10 O5 C([C@H]([C....
16 1XIJ - THE C4 H7 O5 C([C@H]([C....
17 4XIS - XLS C5 H10 O5 C([C@H]([C....
18 1GW9 - LXC C5 H10 O5 C1[C@@H]([....
19 1XIC - XLS C5 H10 O5 C([C@H]([C....
20 1XII - XUL C5 H10 O5 C([C@H]([C....
21 4ZB5 - GLC C6 H12 O6 C([C@@H]1[....
22 1XYB - GLO C6 H12 O6 C([C@H]([C....
23 4ZB2 - FRU C6 H12 O6 C([C@@H]1[....
24 4QE4 - 34V C5 H10 O5 C1[C@@H]([....
25 4ZB0 - GLC C6 H12 O6 C([C@@H]1[....
26 2GYI Ki = 100 nM HYA C4 H9 N O5 C([C@H]([C....
27 4QE1 - RUU C5 H10 O5 C1[C@@H]([....
28 1S5N - XYL C5 H12 O5 C([C@@H](C....
29 1XIF - GLC C6 H12 O6 C([C@@H]1[....
30 3XIS - XLS C5 H10 O5 C([C@H]([C....
31 1XIE - ASO C6 H12 O5 C1[C@@H]([....
32 3KBN - GLO C6 H12 O6 C([C@H]([C....
33 1DID - DIG C6 H13 N O4 C([C@H]1[C....
34 1XLC - XYL C5 H12 O5 C([C@@H](C....
35 1XLJ - XYL C5 H12 O5 C([C@@H](C....
36 1DIE - NOJ C6 H13 N O4 C1[C@@H]([....
37 1XLF - GCO C6 H12 O7 C([C@H]([C....
38 4XIA - SOR C6 H14 O6 C([C@@H]([....
39 1XLM - XYL C5 H12 O5 C([C@@H](C....
40 5XIA - XYL C5 H12 O5 C([C@@H](C....
41 1XLI Ki = 33 mM GLT C6 H12 O5 S C([C@@H]1[....
42 1XLG - XYL C5 H12 O5 C([C@@H](C....
43 1XLD - XYL C5 H12 O5 C([C@@H](C....
44 2XIN - SOR C6 H14 O6 C([C@@H]([....
45 8XIM - XLS C5 H10 O5 C([C@H]([C....
46 1XIM - XYL C5 H12 O5 C([C@@H](C....
47 2XIM - XYL C5 H12 O5 C([C@@H](C....
48 1XIN - XYL C5 H12 O5 C([C@@H](C....
49 3XIM - SOR C6 H14 O6 C([C@@H]([....
50 5XIN - XLS C5 H10 O5 C([C@H]([C....
51 9XIM - XLS C5 H10 O5 C([C@H]([C....
52 6XIM - XLS C5 H10 O5 C([C@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC; Similar ligands found: 141
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL 1 1
2 BMA 1 1
3 GXL 1 1
4 GLA 1 1
5 ALL 1 1
6 GLC 1 1
7 BGC 1 1
8 GIV 1 1
9 MAN 1 1
10 WOO 1 1
11 32O 0.653846 0.866667
12 RIB 0.653846 0.866667
13 FUB 0.653846 0.866667
14 Z6J 0.653846 0.866667
15 AHR 0.653846 0.866667
16 BMA BMA MAN 0.545455 0.823529
17 GLA BGC 0.511628 0.848485
18 LAK 0.511628 0.848485
19 BGC GLA 0.511628 0.848485
20 GLA BMA 0.511628 0.848485
21 MAN BMA 0.511628 0.848485
22 GLA GLC 0.511628 0.848485
23 GAL GAL 0.511628 0.848485
24 MLB 0.511628 0.848485
25 BMA GLA 0.511628 0.848485
26 BMA BMA BMA BMA BMA BMA MAN 0.5 0.823529
27 YDR 0.5 0.8
28 MAN BMA BMA BMA BMA BMA 0.5 0.823529
29 GLC GLC GLC GLC BGC 0.488889 0.848485
30 GLC GLC GLC 0.488889 0.848485
31 MAN MAN MAN 0.488889 0.848485
32 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
33 BGP 0.461538 0.675
34 G6P 0.461538 0.675
35 M6P 0.461538 0.675
36 A6P 0.461538 0.675
37 M6D 0.461538 0.675
38 BG6 0.461538 0.675
39 SHG 0.457143 0.875
40 GAF 0.457143 0.875
41 G2F 0.457143 0.875
42 X6X 0.457143 0.777778
43 2FG 0.457143 0.875
44 G3F 0.457143 0.875
45 PA1 0.457143 0.777778
46 1GN 0.457143 0.777778
47 GCS 0.457143 0.777778
48 2H5 0.457143 0.875
49 LB2 0.454545 0.848485
50 BGC BMA 0.454545 0.848485
51 BGC GAL 0.454545 0.848485
52 MAL 0.454545 0.848485
53 GLC GAL 0.454545 0.848485
54 M3M 0.454545 0.848485
55 GLA GAL 0.454545 0.848485
56 MAB 0.454545 0.848485
57 GLC BGC 0.454545 0.848485
58 BMA BMA 0.454545 0.848485
59 LBT 0.454545 0.848485
60 MAL MAL 0.454545 0.823529
61 CBK 0.454545 0.848485
62 GLA GLA 0.454545 0.848485
63 MAN GLC 0.454545 0.848485
64 CBI 0.454545 0.848485
65 N9S 0.454545 0.848485
66 GAL GLC 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 B2G 0.454545 0.848485
69 BGC GLC 0.454545 0.848485
70 LAT 0.454545 0.848485
71 GAL BGC 0.454545 0.848485
72 3MG 0.444444 0.875
73 TCB 0.444444 0.8
74 GLC SGC 0.444444 0.8
75 YIO 0.441176 0.870968
76 2GS 0.432432 0.875
77 BGC BGC 0.431818 0.848485
78 2M4 0.431818 0.848485
79 MAN MAN 0.431818 0.848485
80 AHR AHR 0.428571 0.764706
81 GLF 0.428571 0.84375
82 FUB AHR 0.428571 0.764706
83 CT3 0.416667 0.848485
84 GLC BGC GLC 0.416667 0.848485
85 MLR 0.416667 0.848485
86 GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
87 GLC GLC GLC GLC GLC 0.416667 0.848485
88 GAL FUC 0.416667 0.848485
89 BMA BMA BMA 0.416667 0.848485
90 CTR 0.416667 0.848485
91 BGC GLC GLC 0.416667 0.848485
92 BGC GLC GLC GLC GLC 0.416667 0.848485
93 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
94 GLC GAL GAL 0.416667 0.848485
95 B4G 0.416667 0.848485
96 CEX 0.416667 0.848485
97 MAN BMA BMA BMA BMA 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
100 CTT 0.416667 0.848485
101 GLC GLC BGC 0.416667 0.848485
102 DXI 0.416667 0.848485
103 GLC GLC BGC GLC GLC GLC GLC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
107 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
108 MTT 0.416667 0.848485
109 BMA MAN BMA 0.416667 0.848485
110 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
111 CE5 0.416667 0.848485
112 GAL GAL GAL 0.416667 0.848485
113 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
114 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
115 GLA GAL GLC 0.416667 0.848485
116 CE6 0.416667 0.848485
117 GLC BGC BGC BGC BGC 0.416667 0.848485
118 GLC BGC BGC 0.416667 0.848485
119 MAN BMA BMA 0.416667 0.848485
120 MT7 0.416667 0.848485
121 GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
122 CE8 0.416667 0.848485
123 CEY 0.416667 0.848485
124 BGC BGC BGC 0.408163 0.848485
125 BGC BGC BGC BGC BGC 0.408163 0.848485
126 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
127 SGC SGC BGC 0.408163 0.8
128 GLC BGC BGC BGC 0.408163 0.848485
129 BGC BGC BGC ASO BGC BGC ASO 0.408163 0.848485
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 TRE 0.405405 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 BM3 0.404762 0.7
135 NDG 0.404762 0.7
136 NAG 0.404762 0.7
137 HSQ 0.404762 0.7
138 A2G 0.404762 0.7
139 NGA 0.404762 0.7
140 FUB AHR AHR 0.4 0.764706
141 AHR AHR AHR 0.4 0.764706
Ligand no: 2; Ligand: GLC:B:407; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Ligand no: 3; Ligand: FRU; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 LFR 1 1
2 SF6 1 1
3 FRU 1 1
4 SF9 1 1
5 PSV 1 1
6 F6P 0.564103 0.744186
7 TA6 0.564103 0.744186
8 LBS 0.511111 0.888889
9 F1X 0.487805 0.744186
10 LRH 0.484848 0.882353
11 0UB 0.479167 0.888889
12 FRU FRU 0.466667 0.888889
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GYI; Ligand: HYA; Similar sites found: 115
This union binding pocket(no: 1) in the query (biounit: 2gyi.bio1) has 62 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1LNX URI 0.03266 0.41894 None
2 3MAG 3MA 0.002674 0.51502 0.977199
3 3MAG SAH 0.009377 0.41415 0.977199
4 4LHM AZZ 0.02981 0.42518 1.29534
5 2RL1 UD1 0.008741 0.40125 1.29534
6 1I0Z OXM 0.01019 0.47306 1.5015
7 3NFZ 3NF 0.01628 0.42116 1.52905
8 2Q37 3AL 0.003258 0.47258 1.65746
9 1MZV AMP 0.0007551 0.48516 1.70213
10 1TUV VK3 0.01298 0.46712 1.75439
11 2NCD ADP 0.001356 0.49125 1.81347
12 2F2U M77 0.01915 0.42181 1.81347
13 4COQ SAN 0.01477 0.44543 2.02429
14 4CCO OGA 0.03289 0.41879 2.07254
15 2O2C G6Q 0.01935 0.41094 2.07254
16 2EB5 OXL 0.007341 0.46087 2.24719
17 2R5T ANP 0.001474 0.44169 2.33161
18 4PNI KQQ 0.002738 0.42184 2.33161
19 3ZPG 5GP 0.02221 0.45392 2.35602
20 3IPQ 965 0.0002062 0.4442 2.4735
21 2PP3 LGT 0.005879 0.43652 2.59067
22 1O0S NAI 0.005084 0.41513 2.59067
23 1I2L DCS 0.002673 0.43537 2.60223
24 1UF5 CDT 0.01743 0.42367 2.64026
25 3SHR CMP 0.02987 0.41302 2.67559
26 3F81 STT 0.002117 0.50295 2.73224
27 4E28 9MZ 0.03521 0.42614 2.76923
28 4E28 0MZ 0.03956 0.41905 2.76923
29 2BH9 NAP 0.004199 0.43873 2.84974
30 3A1I UNU 0.0134 0.42885 2.84974
31 4L7I SAM 0.007657 0.42424 2.84974
32 3LTW HLZ 0.0008367 0.50862 2.85714
33 3P3N AKG 0.003182 0.47927 2.86533
34 2WA4 069 0.009029 0.43245 2.86533
35 3DGB MUC 0.003255 0.45192 2.87958
36 1SQ5 ADP 0.03858 0.40453 2.92208
37 4FFS BIG 0.006354 0.4116 2.92887
38 2Q1W NAD 0.002915 0.40227 3.003
39 2PR5 FMN 0.004379 0.4305 3.0303
40 1Q11 TYE 0.01184 0.44012 3.22581
41 1OYB FMN 0.0008944 0.4426 3.36788
42 1OYB HBA 0.00751 0.40101 3.36788
43 1VL8 NAP 0.002319 0.40296 3.37079
44 1RZM PEP 0.00883 0.44621 3.5503
45 1R6D NAD 0.000003262 0.40154 3.56083
46 3SJU NDP 0.002825 0.4051 3.58423
47 1B7Y FYA 0.005667 0.40784 3.62694
48 2C5S AMP 0.01844 0.42659 3.88601
49 4P53 NAI 0.003264 0.4107 3.88601
50 1G8S MET 0.04106 0.4227 3.91304
51 3UEC ALA ARG TPO LYS 0.006727 0.46897 4.10959
52 2O4J VD4 0.001533 0.42463 4.10959
53 1Y42 TYR 0.0224 0.42684 4.14508
54 1P1M MET 0.003657 0.42345 4.14508
55 1IG3 VIB 0.003065 0.40644 4.18251
56 1YOA FMN 0.0001713 0.59835 4.40252
57 2Q8H TF4 0.005948 0.48622 4.40415
58 2Z9V PXM 0.007765 0.44888 4.40415
59 2RHQ GAX 0.003233 0.42544 4.40415
60 3AXB FAD 0.0009675 0.40481 4.40415
61 3I0O SMI 0.0006091 0.5083 4.42478
62 3I0O ADP 0.02057 0.4204 4.42478
63 1QO0 BMD 0.03286 0.42768 4.59184
64 1SJW NGV 0.002014 0.45204 4.86111
65 4DYO SD4 0.04475 0.40851 4.92228
66 2QCX PF1 0.007199 0.45567 4.94297
67 3KJQ B94 0.01857 0.41863 5.4878
68 1N9L FMN 0.01753 0.40645 5.50459
69 1C1L GAL BGC 0.03206 0.43325 5.83942
70 1A8S PPI 0.03645 0.40732 5.86081
71 1F1V DHY 0.01828 0.42677 5.88235
72 3KMT SAH 0.01783 0.41583 5.88235
73 2QV7 ADP 0.005717 0.43313 5.93472
74 2XDQ MGX 0.005185 0.48958 5.95855
75 1SJD NPG 0.002704 0.42203 5.97826
76 1VF1 GSH 0.02108 0.40324 6.11354
77 3I8P 840 0.02854 0.40383 6.21762
78 4K30 NLG 0.04212 0.41358 6.25
79 3QDT A2G GAL 0.01145 0.46319 6.29371
80 2Y7P SAL 0.01732 0.43221 6.42202
81 3CF6 SP1 0.006218 0.4316 6.58683
82 4KOA NDP 0.02985 0.40001 6.60661
83 1ULE GLA GAL NAG 0.008224 0.471 6.66667
84 4IXW IXW 0.01095 0.43713 6.69291
85 3RF4 FUN 0.002683 0.47089 6.89655
86 1T0S BML 0.009127 0.46854 6.97674
87 3BY8 MLT 0.01417 0.45198 7.04225
88 2I7C AAT 0.002432 0.40233 7.06714
89 1EYE PMM 0.004928 0.44401 7.14286
90 4RJK PYR 0.01807 0.45239 7.18039
91 3PLN U5P 0.04856 0.41057 7.25389
92 2IYG FMN 0.009092 0.43232 7.25806
93 1YRX FMN 0.008433 0.4298 7.43802
94 2A2X NA9 0.01634 0.40768 7.72201
95 4F4S EFO 0.008405 0.44723 7.89474
96 1Z44 FMN 0.02038 0.41333 8.28402
97 2QLX RM4 0.01559 0.4498 8.33333
98 3A2Y TS5 0.01873 0.40834 8.62944
99 1FW1 GSH 0.02757 0.40765 8.7963
100 1Y9Q MED 0.002004 0.48944 9.375
101 1QD0 RR6 0.0207 0.41655 9.375
102 4PTZ FMN 0.01546 0.41176 9.94764
103 3OCZ SRA 0.004761 0.43266 10.3053
104 3QV9 QV7 0.008701 0.45162 10.6218
105 1MXI SAH 0.01777 0.40621 10.625
106 4JWX 1N4 0.003874 0.46328 11.0714
107 1W7J ADP BEF 0.01205 0.41619 11.2583
108 2V5E SCR 0.0184 0.46591 13.8614
109 1M9H NAD 0.003936 0.40797 14.0288
110 2E1A MSE 0.03567 0.41316 16
111 1O9U ADZ 0.02357 0.45245 16.6667
112 2FYU FDN 0.002632 0.4393 16.6667
113 1SS4 CIT 0.00008771 0.59696 18.9542
114 1SS4 GSH 0.007984 0.50151 18.9542
115 2JGS BTN 0.04028 0.41655 23.8462
Pocket No.: 2; Query (leader) PDB : 2GYI; Ligand: HYA; 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: 2gyi.bio1) has 62 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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