Receptor
PDB id Resolution Class Description Source Keywords
2XZ3 1.95 Å NON-ENZYME: TRANSPORT BLV TM HAIRPIN ESCHERICHIA COLI, BOVINE LEUKEMIA VIRUORGANISM_TAXID: 562, 11901 VIRAL PROTEIN VIRAL MEMBRANE FUSION HAIRPIN CHIMERA
Ref.: CHARGE-SURROUNDED POCKETS AND ELECTROSTATIC INTERAC WITH SMALL IONS MODULATE THE ACTIVITY OF RETROVIRAL PROTEINS. PLOS PATHOG. V. 7 1268 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:1495;
Invalid;
none;
submit data
35.453 Cl [Cl-]
EDO A:1489;
A:1490;
A:1491;
A:1492;
A:1493;
A:1494;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
MAL A:1488;
Valid;
none;
submit data
342.296 C12 H22 O11 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2XZ3 1.95 Å NON-ENZYME: TRANSPORT BLV TM HAIRPIN ESCHERICHIA COLI, BOVINE LEUKEMIA VIRUORGANISM_TAXID: 562, 11901 VIRAL PROTEIN VIRAL MEMBRANE FUSION HAIRPIN CHIMERA
Ref.: CHARGE-SURROUNDED POCKETS AND ELECTROSTATIC INTERAC WITH SMALL IONS MODULATE THE ACTIVITY OF RETROVIRAL PROTEINS. PLOS PATHOG. V. 7 1268 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 2XZ3 - MAL C12 H22 O11 C([C@@H]1[....
70% Homology Family (87)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 3VD8 - MTT C24 H42 O21 C([C@@H]1[....
2 3JYR Kd = 248 uM ACR C25 H43 N O18 C[C@@H]1[C....
3 4IFP - MAL C12 H22 O11 C([C@@H]1[....
4 3SET - MAL C12 H22 O11 C([C@@H]1[....
5 3SEY - MAL C12 H22 O11 C([C@@H]1[....
6 5B3Y - MAL C12 H22 O11 C([C@@H]1[....
7 1JW5 - GLC GLC n/a n/a
8 3Q29 - MAL C12 H22 O11 C([C@@H]1[....
9 1FQC - GLO GLC GLC n/a n/a
10 1ANF Ki = 3.5 uM GLC GLC n/a n/a
11 3MBP Ki = 0.16 uM GLC GLC GLC n/a n/a
12 1DMB Kd = 1.8 uM BCD C42 H70 O35 C([C@@H]1[....
13 1FQB - SOR GLC GLC n/a n/a
14 3SEU - MAL C12 H22 O11 C([C@@H]1[....
15 5B3X - MAL C12 H22 O11 C([C@@H]1[....
16 3G7W - MLR C18 H32 O16 C([C@@H]1[....
17 3Q26 - MAL C12 H22 O11 C([C@@H]1[....
18 4MBP Ki = 2.3 uM GLC GLC GLC GLC n/a n/a
19 1FQD - GLO GLC GLC GLC n/a n/a
20 3Q25 - MAL C12 H22 O11 C([C@@H]1[....
21 4JBZ - MAL C12 H22 O11 C([C@@H]1[....
22 3SER - MAL C12 H22 O11 C([C@@H]1[....
23 1LAX Kd = 2 uM GLC GLC n/a n/a
24 3SES - MAL C12 H22 O11 C([C@@H]1[....
25 1MDP - MAL C12 H22 O11 C([C@@H]1[....
26 1MDQ - MAL C12 H22 O11 C([C@@H]1[....
27 3SEX - MAL C12 H22 O11 C([C@@H]1[....
28 1JVX - MAL C12 H22 O11 C([C@@H]1[....
29 5B3Z - MAL C12 H22 O11 C([C@@H]1[....
30 1NL5 Kd = 6 nM MAL C12 H22 O11 C([C@@H]1[....
31 3G7V - MAL C12 H22 O11 C([C@@H]1[....
32 3RUM - MAL C12 H22 O11 C([C@@H]1[....
33 1JVY - MAL C12 H22 O11 C([C@@H]1[....
34 3Q28 - MAL C12 H22 O11 C([C@@H]1[....
35 3SEW - MAL C12 H22 O11 C([C@@H]1[....
36 3LBS - MAL C12 H22 O11 C([C@@H]1[....
37 1EZ9 Kd = 8 uM GLO GLC GLC GLC n/a n/a
38 3Q27 - MAL C12 H22 O11 C([C@@H]1[....
39 5BMY - MAL C12 H22 O11 C([C@@H]1[....
40 1FQA - SOR GLC GLC GLC n/a n/a
41 1MPD - MAL C12 H22 O11 C([C@@H]1[....
42 4RG5 - MAL C12 H22 O11 C([C@@H]1[....
43 3HPI Kd = 6.6 uM SUC C12 H22 O11 C([C@@H]1[....
44 5B3W - MAL C12 H22 O11 C([C@@H]1[....
45 2VGQ - MTT C24 H42 O21 C([C@@H]1[....
46 5IHJ - MLR C18 H32 O16 C([C@@H]1[....
47 5CFV - MAL C12 H22 O11 C([C@@H]1[....
48 5II5 - MAL C12 H22 O11 C([C@@H]1[....
49 5II4 - MAL C12 H22 O11 C([C@@H]1[....
50 5IQZ - MAL C12 H22 O11 C([C@@H]1[....
51 4WMT - 865 C37 H36 N6 O4 Cc1ccnc(c1....
52 4WGI - MAL C12 H22 O11 C([C@@H]1[....
53 4WMX Kd = 14.1 uM 3R7 C15 H13 N O4 S C=Cc1ccc(c....
54 4WMV ic50 = 93 uM 3R4 C9 H4 Cl F O2 S c1cc2c(cc1....
55 4WMW - MAL C12 H22 O11 C([C@@H]1[....
56 4WMS - MAL C12 H22 O11 C([C@@H]1[....
57 5LOF Kd = 0.19 nM 70R C39 H37 Cl F4 N6 O6 S Cc1c(ccc(c....
58 4WMU Kd = 0.18 uM 19H C20 H19 Cl2 N O3 Cc1cc(cc(c....
59 5OSQ - MAL C12 H22 O11 C([C@@H]1[....
60 3D4G - MAL C12 H22 O11 C([C@@H]1[....
61 4WTH - MAL C12 H22 O11 C([C@@H]1[....
62 4YS9 - MAL C12 H22 O11 C([C@@H]1[....
63 4TSM - MTT C24 H42 O21 C([C@@H]1[....
64 4MY2 - MAL C12 H22 O11 C([C@@H]1[....
65 4KYC - MAL C12 H22 O11 C([C@@H]1[....
66 1HSJ - GLC GLC n/a n/a
67 5HZ7 - MLR C18 H32 O16 C([C@@H]1[....
68 3H4Z - GLC GLC n/a n/a
69 5WPZ - MAL C12 H22 O11 C([C@@H]1[....
70 5WQ6 - MAL C12 H22 O11 C([C@@H]1[....
71 5H7Q - MAL C12 H22 O11 C([C@@H]1[....
72 3OAI - MAL C12 H22 O11 C([C@@H]1[....
73 5TTD - MLR C18 H32 O16 C([C@@H]1[....
74 4KYD - MAL C12 H22 O11 C([C@@H]1[....
75 5JST - MAL C12 H22 O11 C([C@@H]1[....
76 2XZ3 - MAL C12 H22 O11 C([C@@H]1[....
77 3N94 - MAL C12 H22 O11 C([C@@H]1[....
78 4XZS - GLC GLC n/a n/a
79 5H7N - MTT C24 H42 O21 C([C@@H]1[....
80 4PE2 - MAL MAL n/a n/a
81 4IKM - MAL C12 H22 O11 C([C@@H]1[....
82 1Y4C - GLC GLC n/a n/a
83 5C7R - MLR C18 H32 O16 C([C@@H]1[....
84 5DFM - MAL C12 H22 O11 C([C@@H]1[....
85 4IRL - MTT C24 H42 O21 C([C@@H]1[....
86 1MG1 - MAL C12 H22 O11 C([C@@H]1[....
87 5AZ7 - MAL C12 H22 O11 C([C@@H]1[....
50% Homology Family (99)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 3VD8 - MTT C24 H42 O21 C([C@@H]1[....
2 3JYR Kd = 248 uM ACR C25 H43 N O18 C[C@@H]1[C....
3 4IFP - MAL C12 H22 O11 C([C@@H]1[....
4 5I04 - MAL C12 H22 O11 C([C@@H]1[....
5 3SET - MAL C12 H22 O11 C([C@@H]1[....
6 3SEY - MAL C12 H22 O11 C([C@@H]1[....
7 5B3Y - MAL C12 H22 O11 C([C@@H]1[....
8 1JW5 - GLC GLC n/a n/a
9 3Q29 - MAL C12 H22 O11 C([C@@H]1[....
10 1FQC - GLO GLC GLC n/a n/a
11 1ANF Ki = 3.5 uM GLC GLC n/a n/a
12 3MBP Ki = 0.16 uM GLC GLC GLC n/a n/a
13 1DMB Kd = 1.8 uM BCD C42 H70 O35 C([C@@H]1[....
14 1FQB - SOR GLC GLC n/a n/a
15 3SEU - MAL C12 H22 O11 C([C@@H]1[....
16 5B3X - MAL C12 H22 O11 C([C@@H]1[....
17 3G7W - MLR C18 H32 O16 C([C@@H]1[....
18 3Q26 - MAL C12 H22 O11 C([C@@H]1[....
19 4MBP Ki = 2.3 uM GLC GLC GLC GLC n/a n/a
20 1FQD - GLO GLC GLC GLC n/a n/a
21 3Q25 - MAL C12 H22 O11 C([C@@H]1[....
22 4JBZ - MAL C12 H22 O11 C([C@@H]1[....
23 3SER - MAL C12 H22 O11 C([C@@H]1[....
24 1LAX Kd = 2 uM GLC GLC n/a n/a
25 3SES - MAL C12 H22 O11 C([C@@H]1[....
26 1MDP - MAL C12 H22 O11 C([C@@H]1[....
27 1MDQ - MAL C12 H22 O11 C([C@@H]1[....
28 3SEX - MAL C12 H22 O11 C([C@@H]1[....
29 1JVX - MAL C12 H22 O11 C([C@@H]1[....
30 5B3Z - MAL C12 H22 O11 C([C@@H]1[....
31 1NL5 Kd = 6 nM MAL C12 H22 O11 C([C@@H]1[....
32 3G7V - MAL C12 H22 O11 C([C@@H]1[....
33 3RUM - MAL C12 H22 O11 C([C@@H]1[....
34 1JVY - MAL C12 H22 O11 C([C@@H]1[....
35 3Q28 - MAL C12 H22 O11 C([C@@H]1[....
36 3SEW - MAL C12 H22 O11 C([C@@H]1[....
37 3LBS - MAL C12 H22 O11 C([C@@H]1[....
38 1EZ9 Kd = 8 uM GLO GLC GLC GLC n/a n/a
39 3Q27 - MAL C12 H22 O11 C([C@@H]1[....
40 5BMY - MAL C12 H22 O11 C([C@@H]1[....
41 1FQA - SOR GLC GLC GLC n/a n/a
42 1MPD - MAL C12 H22 O11 C([C@@H]1[....
43 4RG5 - MAL C12 H22 O11 C([C@@H]1[....
44 3HPI Kd = 6.6 uM SUC C12 H22 O11 C([C@@H]1[....
45 5B3W - MAL C12 H22 O11 C([C@@H]1[....
46 2VGQ - MTT C24 H42 O21 C([C@@H]1[....
47 5IHJ - MLR C18 H32 O16 C([C@@H]1[....
48 5CFV - MAL C12 H22 O11 C([C@@H]1[....
49 5II5 - MAL C12 H22 O11 C([C@@H]1[....
50 5II4 - MAL C12 H22 O11 C([C@@H]1[....
51 5IQZ - MAL C12 H22 O11 C([C@@H]1[....
52 4WMT - 865 C37 H36 N6 O4 Cc1ccnc(c1....
53 4WGI - MAL C12 H22 O11 C([C@@H]1[....
54 4WMX Kd = 14.1 uM 3R7 C15 H13 N O4 S C=Cc1ccc(c....
55 4WMV ic50 = 93 uM 3R4 C9 H4 Cl F O2 S c1cc2c(cc1....
56 4WMW - MAL C12 H22 O11 C([C@@H]1[....
57 4WMS - MAL C12 H22 O11 C([C@@H]1[....
58 5LOF Kd = 0.19 nM 70R C39 H37 Cl F4 N6 O6 S Cc1c(ccc(c....
59 4WMU Kd = 0.18 uM 19H C20 H19 Cl2 N O3 Cc1cc(cc(c....
60 5OSQ - MAL C12 H22 O11 C([C@@H]1[....
61 3D4G - MAL C12 H22 O11 C([C@@H]1[....
62 4WVH - MAL C12 H22 O11 C([C@@H]1[....
63 4WVG - MAL C12 H22 O11 C([C@@H]1[....
64 4WTH - MAL C12 H22 O11 C([C@@H]1[....
65 4YS9 - MAL C12 H22 O11 C([C@@H]1[....
66 4TSM - MTT C24 H42 O21 C([C@@H]1[....
67 4MY2 - MAL C12 H22 O11 C([C@@H]1[....
68 4KYC - MAL C12 H22 O11 C([C@@H]1[....
69 1HSJ - GLC GLC n/a n/a
70 5HZ7 - MLR C18 H32 O16 C([C@@H]1[....
71 1URD - MLR C18 H32 O16 C([C@@H]1[....
72 1URS - MLR C18 H32 O16 C([C@@H]1[....
73 1URG Kd = 1.5 uM MAL C12 H22 O11 C([C@@H]1[....
74 3H4Z - GLC GLC n/a n/a
75 5WPZ - MAL C12 H22 O11 C([C@@H]1[....
76 5WQ6 - MAL C12 H22 O11 C([C@@H]1[....
77 5H7Q - MAL C12 H22 O11 C([C@@H]1[....
78 3DM0 - GLC GLC n/a n/a
79 3OAI - MAL C12 H22 O11 C([C@@H]1[....
80 5TTD - MLR C18 H32 O16 C([C@@H]1[....
81 4KYD - MAL C12 H22 O11 C([C@@H]1[....
82 5JST - MAL C12 H22 O11 C([C@@H]1[....
83 2XZ3 - MAL C12 H22 O11 C([C@@H]1[....
84 3N94 - MAL C12 H22 O11 C([C@@H]1[....
85 4QVH - FLC C6 H5 O7 C(C(=O)[O-....
86 4XZS - GLC GLC n/a n/a
87 5H7N - MTT C24 H42 O21 C([C@@H]1[....
88 4PE2 - MAL MAL n/a n/a
89 3O3U - MLR C18 H32 O16 C([C@@H]1[....
90 4IKM - MAL C12 H22 O11 C([C@@H]1[....
91 1Y4C - GLC GLC n/a n/a
92 5T05 - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
93 5T0A - GNS BDP GNS IDS GNS BDP NPO n/a n/a
94 5T03 - GNS BDP GNS BDP GNS BDP NPO n/a n/a
95 5C7R - MLR C18 H32 O16 C([C@@H]1[....
96 5DFM - MAL C12 H22 O11 C([C@@H]1[....
97 4IRL - MTT C24 H42 O21 C([C@@H]1[....
98 1MG1 - MAL C12 H22 O11 C([C@@H]1[....
99 5AZ7 - MAL C12 H22 O11 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MAL; Similar ligands found: 339
No: Ligand ECFP6 Tc MDL keys Tc
1 LBT 1 1
2 GLC BGC 1 1
3 MAL MAL 1 0.970588
4 BGC GLC 1 1
5 CBI 1 1
6 GAL BGC 1 1
7 CBK 1 1
8 BGC BMA 1 1
9 N9S 1 1
10 GLA GLA 1 1
11 BGC GAL 1 1
12 GAL GLC 1 1
13 GLC GAL 1 1
14 BMA BMA 1 1
15 GLA GAL 1 1
16 BMA GAL 1 1
17 LAT 1 1
18 MAB 1 1
19 MAL 1 1
20 B2G 1 1
21 CEX 0.909091 1
22 BGC GLC GLC GLC GLC 0.909091 1
23 GLC GLC GLC GLC GLC 0.909091 1
24 CTR 0.909091 1
25 MTT 0.909091 1
26 CE5 0.909091 1
27 BMA BMA BMA BMA BMA 0.909091 1
28 CTT 0.909091 1
29 CT3 0.909091 1
30 GLC GLC GLC GLC GLC GLC GLC 0.909091 1
31 BGC GLC GLC GLC GLC GLC GLC 0.909091 1
32 BGC BGC BGC GLC 0.909091 1
33 CEY 0.909091 1
34 MAN MAN BMA BMA BMA BMA 0.909091 1
35 BMA BMA BMA 0.909091 1
36 B4G 0.909091 1
37 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.909091 1
38 GLC GAL GAL 0.909091 1
39 GLA GAL GLC 0.909091 1
40 GAL GAL GAL 0.909091 1
41 MAN BMA BMA BMA BMA 0.909091 1
42 MLR 0.909091 1
43 CE8 0.909091 1
44 MT7 0.909091 1
45 CE6 0.909091 1
46 GLC BGC BGC BGC BGC BGC 0.909091 1
47 GLC GLC BGC 0.909091 1
48 GLC BGC BGC 0.909091 1
49 GLC BGC GLC 0.909091 1
50 BMA MAN BMA 0.909091 1
51 GLC GLC BGC GLC GLC GLC GLC 0.909091 1
52 BGC GLC GLC 0.909091 1
53 BGC GLC GLC GLC 0.909091 1
54 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.909091 1
55 DXI 0.909091 1
56 BMA BMA BMA BMA BMA BMA 0.909091 1
57 GLC GLC GLC GLC GLC GLC GLC GLC 0.909091 1
58 GLC BGC BGC BGC BGC 0.909091 1
59 BGC BGC BGC BGC BGC BGC 0.909091 1
60 MAN BMA BMA 0.909091 1
61 MAN BMA BMA BMA BMA BMA 0.833333 0.970588
62 BMA BMA BMA BMA BMA BMA MAN 0.833333 0.970588
63 GLA GAL GAL 0.816327 1
64 GLA GAL BGC 0.816327 1
65 BGC BGC BGC BGC 0.754717 1
66 BGC BGC BGC BGC BGC BGC BGC BGC 0.754717 1
67 BMA BMA GLA BMA BMA 0.689655 1
68 LAT GLA 0.680851 1
69 GLC GLC GLC BGC 0.672414 1
70 BGC BGC GLC 0.660377 1
71 U63 0.647059 0.891892
72 DR5 0.64 0.942857
73 MMA MAN 0.64 0.942857
74 GLA EGA 0.634615 0.942857
75 BMA BMA MAN 0.615385 0.970588
76 GAL FUC 0.615385 0.941176
77 BGC BGC 0.612245 1
78 MAN MAN 0.612245 1
79 2M4 0.612245 1
80 GLC GAL FUC 0.610169 0.970588
81 GLC GLC GLC GLC GLC GLC 0.610169 1
82 FUC LAT 0.610169 0.970588
83 FUC GAL GLC 0.610169 0.970588
84 BGC GAL FUC 0.610169 0.970588
85 LAT FUC 0.610169 0.970588
86 BGC GLA GAL FUC 0.609375 0.970588
87 GAL NAG GAL BGC 0.606061 0.733333
88 LAT NAG GAL 0.606061 0.733333
89 GLC GLC BGC XYS BGC XYS 0.606061 0.942857
90 BGC GAL NAG GAL 0.606061 0.733333
91 MAN GLC 0.6 1
92 LB2 0.6 1
93 M3M 0.6 1
94 SGA BGC 0.6 0.702128
95 MAL EDO 0.592593 0.942857
96 BGC BGC BGC XYS GAL 0.588235 0.942857
97 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.588235 0.942857
98 GLC GAL NAG GAL 0.588235 0.733333
99 BGC BGC BGC XYS BGC BGC 0.588235 0.942857
100 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.588235 0.942857
101 NGA GAL BGC 0.587302 0.733333
102 TRE 0.581395 1
103 ABD 0.57971 0.75
104 NDG GAL 0.578947 0.733333
105 GAL NDG 0.578947 0.733333
106 5GO 0.578947 0.66
107 NLC 0.578947 0.733333
108 DEL 0.574074 0.970588
109 GAL NGA GLA BGC GAL 0.571429 0.733333
110 MVP 0.571429 0.733333
111 GAL BGC BGC XYS 0.569231 0.942857
112 GLC GLC FRU 0.569231 0.868421
113 BMA MAN 0.566038 0.914286
114 GLC GLC XYP 0.557377 1
115 BGC BGC XYS BGC 0.552239 0.942857
116 NAG GAL BGC 0.552239 0.733333
117 GLA GAL BGC 5VQ 0.551724 0.891892
118 G2F BGC BGC BGC BGC BGC 0.55 0.868421
119 GLA MBG 0.54902 0.942857
120 GLC ACI GLD GLC 0.547945 0.785714
121 GLC G6D ACI GLC 0.547945 0.785714
122 GLC ACI G6D BGC 0.547945 0.785714
123 GLC G6D ADH GLC 0.547945 0.785714
124 GLC BGC BGC BGC 0.545455 1
125 BGC BGC BGC ASO BGC BGC ASO 0.545455 1
126 GLC BGC BGC BGC BGC BGC BGC 0.545455 1
127 BGC BGC BGC 0.545455 1
128 BGC BGC BGC GLC BGC BGC 0.545455 1
129 BGC BGC BGC BGC BGC 0.545455 1
130 MAN MAN BMA 0.535714 1
131 NGA GLA GAL BGC 0.535211 0.733333
132 BMA MAN MAN 0.534483 1
133 GAL BGC BGC BGC XYS BGC XYS 0.533333 0.942857
134 BGC BGC BGC XYS BGC XYS GAL 0.533333 0.942857
135 GLC BGC BGC XYS BGC XYS XYS 0.528571 0.942857
136 BGC BGC BGC XYS BGC XYS XYS 0.528571 0.942857
137 BGC BGC XYS BGC XYS BGC XYS 0.528571 0.942857
138 GLA GAL GLC NBU 0.52459 0.846154
139 FUC BGC GAL 0.52459 0.970588
140 GLC ACI GLD GAL 0.519481 0.733333
141 GLC ACI G6D GLC 0.519481 0.733333
142 GLC GLC G6D ACI GLC GLC GLC 0.519481 0.785714
143 GLC BGC BGC BGC XYS BGC XYS XYS 0.513514 0.916667
144 DOM 0.509091 0.942857
145 GAL GAL SO4 0.508197 0.702128
146 DMU 0.507937 0.785714
147 LMT 0.507937 0.785714
148 LMU 0.507937 0.785714
149 G2I 0.507937 0.767442
150 G3I 0.507937 0.767442
151 OXZ BGC BGC 0.507937 0.6875
152 UMQ 0.507937 0.785714
153 GLC AGL GLC HMC 0.506329 0.717391
154 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.506329 0.942857
155 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.506329 0.942857
156 GAL BGC BGC BGC XYS XYS 0.506329 0.942857
157 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.506329 0.942857
158 GLC BGC BGC XYS BGC XYS XYS GAL 0.506329 0.942857
159 NAG GAL GAL 0.5 0.733333
160 SOR GLC GLC 0.5 0.970588
161 GAL GAL GLC EMB MEC 0.5 0.622642
162 FMO 0.5 0.868421
163 MAN BMA NAG 0.5 0.733333
164 GLA GAL NAG 0.5 0.733333
165 8VZ 0.5 0.673469
166 GLC GLC ACI G6D GLC GLC 0.493827 0.733333
167 GLC GLC AGL HMC GLC 0.493827 0.733333
168 GLC GLC DAF BGC 0.493827 0.733333
169 AAO 0.493827 0.733333
170 ARE 0.493827 0.733333
171 ACR GLC GLC GLC 0.493827 0.733333
172 GLC GLC XYS 0.492308 0.970588
173 CGC 0.491525 0.941176
174 5QP 0.491228 0.885714
175 MDM 0.490909 0.942857
176 RZM 0.490909 0.688889
177 M13 0.490909 0.942857
178 GAL MBG 0.490909 0.942857
179 GLC GLC GLC G6D ADH GLC 0.487805 0.6875
180 BGC BGC G2F SHG 0.485714 0.846154
181 MAN NAG GAL 0.485294 0.733333
182 GAL NAG MAN 0.485294 0.733333
183 6UZ 0.484848 0.846154
184 SOR GLC GLC GLC 0.484848 0.970588
185 LAG 0.484848 0.6
186 MAN MNM 0.482759 0.75
187 GAL BGC NAG GAL 0.478873 0.733333
188 10M 0.477612 0.733333
189 GTM BGC BGC 0.477612 0.868421
190 MAN MAN MAN MAN 0.476923 1
191 MAN MAN BMA MAN 0.476923 1
192 GLA GAL NAG FUC GAL GLC 0.47619 0.717391
193 NAG BMA 0.47619 0.653061
194 GAL NGA 0.47541 0.733333
195 GAL A2G 0.47541 0.733333
196 A2G GAL 0.47541 0.733333
197 BMA GLA 0.472727 1
198 LAK 0.472727 1
199 GAL GAL 0.472727 1
200 GLA GLC 0.472727 1
201 MLB 0.472727 1
202 GLA BMA 0.472727 1
203 BGC GLA 0.472727 1
204 MAN BMA 0.472727 1
205 GLA BGC 0.472727 1
206 NPJ 0.470588 0.622642
207 FUC GAL NAG GAL BGC 0.469136 0.717391
208 MAN MAN MAN GLC 0.46875 1
209 ABL 0.466667 0.702128
210 BMA FRU 0.465517 0.842105
211 FRU GAL 0.465517 0.842105
212 NOY BGC 0.465517 0.75
213 TM6 0.463768 0.916667
214 BGC SGC BGC SGC BGC SGC BGC SGC 0.463768 0.916667
215 LSE 0.462687 0.6875
216 GLA GLA FUC 0.460317 0.970588
217 FUC GAL GLA 0.460317 0.970588
218 GAL GAL FUC 0.460317 0.970588
219 GLA GAL FUC 0.460317 0.970588
220 FUC GLA GLA 0.460317 0.970588
221 DAF BGC 0.458333 0.785714
222 DAF GLC 0.458333 0.785714
223 IFM BMA 0.457627 0.744186
224 BGC OXZ 0.457627 0.666667
225 IFM BGC 0.457627 0.744186
226 BMA IFM 0.457627 0.744186
227 9MR 0.457627 0.744186
228 GLO GLC GLC 0.457143 0.942857
229 RCB 0.457143 0.622642
230 GLC GLC GLC GLC GLC BGC 0.45614 1
231 GLC GLC GLC 0.45614 1
232 GLC GLC GLC GLC BGC 0.45614 1
233 MAN MAN MAN 0.45614 1
234 GLC 0.454545 0.848485
235 BMA 0.454545 0.848485
236 GXL 0.454545 0.848485
237 WOO 0.454545 0.848485
238 GIV 0.454545 0.848485
239 GAL 0.454545 0.848485
240 MAN 0.454545 0.848485
241 BGC 0.454545 0.848485
242 ALL 0.454545 0.848485
243 GLA 0.454545 0.848485
244 GLC GLC GLC GLC 0.453125 1
245 MGL SGC GLC GLC 0.450704 0.868421
246 CM5 0.450704 0.891892
247 MAN MAN MAN BMA MAN 0.450704 1
248 BGC BGC SGC MGL 0.450704 0.868421
249 GLC DMJ 0.45 0.727273
250 A2G GAL BGC FUC 0.45 0.717391
251 GLC GLC GLC PO4 SGC GLC 0.45 0.673469
252 NOJ GLC 0.45 0.727273
253 PA1 GCS 0.448276 0.804878
254 GCS GCS 0.448276 0.804878
255 M5S 0.447761 1
256 MAN BMA MAN MAN MAN 0.447761 1
257 GLC GLC XYS XYS 0.447761 0.914286
258 DAF BGC GLC 0.447368 0.785714
259 TXT 0.447368 0.767442
260 GAC 0.447368 0.767442
261 DAF GLC GLC 0.447368 0.785714
262 ACI GLD GLC GAL 0.447368 0.785714
263 GLC GAL NAG GAL FUC FUC 0.447059 0.702128
264 BGC GAL NAG GAL FUC FUC 0.447059 0.702128
265 GAL NAG GAL NAG GAL NAG 0.445946 0.673469
266 NAG GAL GAL NAG GAL 0.445946 0.6875
267 NAG GAL GAL NAG 0.445946 0.6875
268 MA4 0.444444 0.891892
269 QV4 0.444444 0.733333
270 GLO GLC GLC GLC 0.444444 0.942857
271 MAN DGO 0.440678 0.914286
272 3SA 0.44 0.733333
273 Z6J 0.439024 0.742857
274 AHR 0.439024 0.742857
275 32O 0.439024 0.742857
276 FUB 0.439024 0.742857
277 RIB 0.439024 0.742857
278 T6P 0.438596 0.767442
279 GYP 0.4375 0.857143
280 AMG 0.4375 0.857143
281 MMA 0.4375 0.857143
282 MBG 0.4375 0.857143
283 4MU BGC BGC 0.434211 0.767442
284 ISX 0.433333 0.761905
285 MAN 7D1 0.431034 0.888889
286 QPS 0.43038 0.733333
287 ACR 0.43038 0.733333
288 4MU BGC BGC BGC BGC 0.428571 0.767442
289 GAL MGC 0.428571 0.702128
290 GAL NGA A2G 0.426471 0.673469
291 FUC NAG GAL 0.422535 0.717391
292 FUC NDG GAL 0.422535 0.717391
293 GAL NAG FUC 0.422535 0.717391
294 GAL NDG FUC 0.422535 0.717391
295 KHO 0.421053 0.888889
296 HMC AGL GLC 0.421053 0.717391
297 GCS GCS GCS GCS GCS 0.419355 0.804878
298 GCS GCS GCS GCS GCS GCS 0.419355 0.804878
299 GCS GCS GCS 0.419355 0.804878
300 GAL NAG GAL 0.418919 0.702128
301 GAL NGT 0.41791 0.66
302 P3M 0.41791 0.767442
303 NGT GAL 0.41791 0.66
304 ACR GLC GLC GLC GLC 0.417722 0.733333
305 ACR GLC 0.417722 0.733333
306 A2G GAL NAG FUC GAL GLC 0.417582 0.673469
307 GLC GAL NAG GAL FUC A2G 0.417582 0.673469
308 TUR 0.416667 0.842105
309 BTU 0.416667 0.842105
310 GLA MAN ABE 0.414286 0.916667
311 NAG NDG BMA 0.413333 0.634615
312 NAG NAG BMA 0.413333 0.634615
313 AHR AHR AHR 0.410714 0.857143
314 FUB AHR AHR 0.410714 0.857143
315 GLF B8D 0.409836 0.775
316 VAM 0.409836 0.868421
317 ACI G6D GLC ACI G6D BGC 0.409639 0.75
318 BGC GLC AC1 GLC GLC GLC AC1 0.409639 0.75
319 AC1 GLC AC1 BGC 0.409639 0.75
320 DAF GLC DAF GLC GLC 0.409639 0.75
321 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.409639 0.75
322 ACI GLD GLC ACI G6D BGC 0.409639 0.75
323 MAN MMA MAN 0.409091 0.942857
324 AHR AHR 0.407407 0.857143
325 FUB AHR 0.407407 0.857143
326 NAG BMA MAN MAN MAN MAN 0.407407 0.733333
327 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.406977 0.680851
328 4U0 0.406593 0.66
329 GLA MAN RAM ABE 0.405063 0.891892
330 BGC BGC SSG PIH 0.405063 0.767442
331 M1P 0.403846 0.697674
332 GL1 0.403846 0.697674
333 XGP 0.403846 0.697674
334 G1P 0.403846 0.697674
335 MAN IFM 0.403226 0.761905
336 GLC IFM 0.403226 0.761905
337 XZZ BGC BGC 0.402439 0.702128
338 ACG 0.402299 0.695652
339 FUC GAL 0.4 0.941176
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2XZ3; Ligand: MAL; Similar sites found: 115
This union binding pocket(no: 1) in the query (biounit: 2xz3.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1BTN I3P 0.005586 0.48295 None
2 4CCN OGA 0.02496 0.40702 1.51188
3 3ZPG 5GP 0.01989 0.42944 1.57068
4 1YRX FMN 0.006251 0.40219 1.65289
5 2Q1A 2KT 0.01477 0.4177 1.70648
6 3QV9 QV7 0.02082 0.4058 1.72786
7 3MAG 3MA 0.005679 0.4664 1.9544
8 1I2B UPG 0.004502 0.42636 1.9802
9 1I2B USQ 0.004502 0.42636 1.9802
10 1I2B NAD 0.004502 0.42636 1.9802
11 4LTN NAI 0.0004471 0.42443 2.03046
12 4LTN FMN 0.0004456 0.42039 2.03046
13 2P69 PLP 0.02309 0.40377 2.28758
14 4TMK T5A 0.0008761 0.44806 2.34742
15 1ZFJ IMP 0.009327 0.40686 2.37581
16 1T10 F6P 0.02049 0.40612 2.37581
17 2FGQ MLT 0.0001992 0.50457 2.40964
18 4Q3F TLA 0.00114 0.4593 2.5641
19 1A8S PPI 0.009284 0.40536 2.5641
20 2ZWS PLM 0.01356 0.45451 2.59179
21 3I51 45C 0.008029 0.40583 2.59259
22 4W6Z ETF 0.01552 0.43508 2.59366
23 1Z42 HBA 0.004137 0.48975 2.66272
24 1Z44 NPO 0.01277 0.45598 2.66272
25 2OWZ CIT 0.01138 0.42298 2.71084
26 5D6C 57S 0.02241 0.43019 2.72727
27 1NML CIT 0.0108 0.41371 2.76074
28 1Y0L HAN 0.02387 0.43237 2.77778
29 2Z9V PXM 0.004985 0.42834 2.80612
30 4WBD ADP 0.00231 0.46214 2.80778
31 4WBD CIT 0.0132 0.43189 2.80778
32 1RYI GOA 0.004786 0.47936 2.87958
33 4O8A 2OP 0.004856 0.46141 3.02376
34 1H16 PYR 0.02234 0.42038 3.02376
35 4LO6 SIA GAL 0.007171 0.44173 3.15789
36 3FPZ AHZ 0.005874 0.40686 3.37423
37 2V5E SCR 0.002386 0.48686 3.5
38 1Y2W NAG 0.03234 0.40173 3.52113
39 1Y7P RIP 0.01242 0.4332 3.58744
40 1V5F FAD 0.008825 0.42125 3.67171
41 1V5F TPP 0.008825 0.42125 3.67171
42 5DRN 5CT 0.000653 0.51189 3.7037
43 3P3N AKG 0.03352 0.401 3.72493
44 1X8X TYR 0.008434 0.40917 3.72671
45 5DTF 5CT 0.006789 0.45 3.73832
46 5DUB GLY 5GG GLY ALA 0.01732 0.42917 3.73832
47 5DS8 GLY 5CT GLY ALA 0.01864 0.42434 3.73832
48 3SQG COM 0.0007441 0.51431 3.88769
49 1SS4 GSH 0.02257 0.44131 3.92157
50 1SS4 CIT 0.02559 0.43272 3.92157
51 1OFH ADP 0.004182 0.40107 4.02299
52 5A2J ALA PRO ASP THR ARG PRO 0.02318 0.42267 4.09836
53 3UEC ALA ARG TPO LYS 0.01821 0.41888 4.10959
54 3IJH KO2 0.02805 0.40224 4.10959
55 4LIT AKG 0.01424 0.41326 4.31965
56 1Z6K OAA 0.00975 0.4045 4.43686
57 3PHQ KDO 0.02302 0.45067 4.5045
58 4M5P MLA 0.00718 0.46086 4.53564
59 3EJ0 11X 0.001813 0.45042 4.59184
60 1Y9Q MED 0.03496 0.40013 4.6875
61 4IXW IXW 0.01461 0.40353 4.72441
62 2HVK TBA 0.001611 0.46246 4.83871
63 1Q11 TYE 0.006412 0.42358 4.83871
64 1XE7 GUN 0.02343 0.42569 4.92611
65 3NOJ PYR 0.0006451 0.47021 5.04202
66 2XDQ MGX 0.03253 0.41819 5.08806
67 3PMD 11A 0.007141 0.41213 5.22876
68 3GJB AKG 0.009083 0.41227 5.32915
69 1Y1A GSH 0.01797 0.45232 5.46448
70 4N69 SER 0.02714 0.40532 5.59441
71 2QCX PF1 0.02791 0.40003 5.70342
72 2YIV YIV 0.01495 0.42916 5.94512
73 1JOT GAL A2G 0.0006231 0.45542 6.01504
74 1GU3 BGC BGC BGC BGC BGC 0.007204 0.42138 6.04027
75 3TKA CTN 0.006777 0.46473 6.05187
76 3E6J DR2 0.04891 0.4119 6.11354
77 1NXJ TLA 0.003583 0.40929 6.55738
78 1NXJ GLV 0.01603 0.40183 6.55738
79 1X1T NAD 0.00392 0.40931 6.92308
80 2OFD NGA 0.02619 0.40604 7.04225
81 3MD0 GDP 0.0157 0.40222 7.04225
82 1CKM GTP 0.003836 0.42806 7.27273
83 1XX4 BAM 0.01072 0.41629 7.27969
84 1ULE GLA GAL NAG 0.022 0.40959 7.33333
85 1Q3P GLU ALA GLN THR ARG LEU 0.004448 0.42535 7.33945
86 1H8G CHT 0.00918 0.46418 7.36842
87 1V6A TRE 0.007984 0.42459 7.5594
88 3S9K CIT 0.01817 0.4481 7.62712
89 1W55 C 0.001052 0.41278 7.81671
90 1TUV VK3 0.02786 0.42174 7.89474
91 1JGS SAL 0.0158 0.4507 7.97101
92 4B16 NAG 0.02548 0.43082 8.27068
93 4M7F BM3 0.001174 0.45563 8.40708
94 2YYJ FAD 0.00312 0.41731 8.42333
95 2YYJ 4HP 0.00312 0.41731 8.42333
96 1DL7 NCH 0.03917 0.42801 8.92857
97 1ECM TSA 0.01697 0.40078 9.17431
98 1DXY COI 0.02046 0.42879 9.30931
99 3NGU ADP 0.004565 0.41134 9.93377
100 4AF5 CIT 0.01094 0.42378 10
101 1NU4 MLA 0.004883 0.42364 10.3093
102 4F8L GAL 0.04667 0.42359 10.3448
103 1NMB NAG NAG BMA MAN MAN MAN MAN 0.01679 0.40764 10.6557
104 3F81 STT 0.04196 0.4065 10.929
105 3P47 CYS 0.01636 0.40145 11.1111
106 3GM5 CIT 0.01509 0.41726 11.9497
107 4E28 9MZ 0.01508 0.41727 12
108 4E28 0MZ 0.02347 0.40345 12
109 4K30 NLG 0.003348 0.43586 13.125
110 4DN8 BMA 0.001738 0.46092 16.6667
111 3QDY CBS 0.01749 0.41973 18.8811
112 3QDY A2G GAL 0.02464 0.41823 18.8811
113 3QDT A2G GAL 0.03018 0.41377 18.8811
114 3KPE TM3 0.01744 0.41433 20.5128
115 1ELJ GLC GLC GLC 0.02014 0.42264 45.9318
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