Receptor
PDB id Resolution Class Description Source Keywords
1QM5 2 Å EC: 2.4.1.1 PHOSPHORYLASE RECOGNITION AND PHOSPHORYLYSIS OF ITS OLIGOSACCHARIDE SUBSTRATE: ANSWERS TO A LONG OUTSTANDING Q UESTION ESCHERICHIA COLI PHOSPHORYLASE THIO-OLIGOSACCHARIDE PHOSPHOROLYSIS MALP GLYCOSYLTRANSFERASE
Ref.: PHOSPHORYLASE RECOGNITION AND PHOSPHOROLYSIS OF ITS OLIGOSACCHARIDE SUBSTRATE: ANSWERS TO A LONG OUTSTANDING QUESTION EMBO J. V. 18 4619 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLC GLC GLC PO4 SGC GLC A:994;
B:994;
Valid;
Valid;
none;
none;
Ki = 1.5 uM
938.749 n/a [S+](...
PLP A:999;
B:999;
Valid;
Valid;
none;
none;
submit data
247.142 C8 H10 N O6 P Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1QM5 2 Å EC: 2.4.1.1 PHOSPHORYLASE RECOGNITION AND PHOSPHORYLYSIS OF ITS OLIGOSACCHARIDE SUBSTRATE: ANSWERS TO A LONG OUTSTANDING Q UESTION ESCHERICHIA COLI PHOSPHORYLASE THIO-OLIGOSACCHARIDE PHOSPHOROLYSIS MALP GLYCOSYLTRANSFERASE
Ref.: PHOSPHORYLASE RECOGNITION AND PHOSPHOROLYSIS OF ITS OLIGOSACCHARIDE SUBSTRATE: ANSWERS TO A LONG OUTSTANDING QUESTION EMBO J. V. 18 4619 1999
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2AV6 - BGC GLC GLC GLC GLC n/a n/a
2 1L6I - GLC GLC GLC GLC GLC n/a n/a
3 1L5W - GLC GLC GLC GLC n/a n/a
4 2AW3 - BGC GLC GLC GLC GLC n/a n/a
5 1QM5 Ki = 1.5 uM GLC GLC GLC PO4 SGC GLC n/a n/a
6 1L5V - G1P C6 H13 O9 P C([C@@H]1[....
7 2AZD - BGC GLC GLC GLC n/a n/a
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2AV6 - BGC GLC GLC GLC GLC n/a n/a
2 1L6I - GLC GLC GLC GLC GLC n/a n/a
3 1L5W - GLC GLC GLC GLC n/a n/a
4 2AW3 - BGC GLC GLC GLC GLC n/a n/a
5 1QM5 Ki = 1.5 uM GLC GLC GLC PO4 SGC GLC n/a n/a
6 1L5V - G1P C6 H13 O9 P C([C@@H]1[....
7 2AZD - BGC GLC GLC GLC n/a n/a
50% Homology Family (165)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3MRT ic50 = 200 uM 12E C13 H18 N4 O5 S c1cnccc1/C....
2 1AXR Ki = 540 uM HTP C7 H12 N3 O4 c1c2[n+]([....
3 1FTY - GL7 C9 H14 N2 O7 CN1C(=O)[C....
4 3MQF ic50 = 5.7 uM 20X C14 H18 F N3 O5 S c1cc(ccc1/....
5 3MS7 ic50 = 370 uM 22S C14 H18 Cl N3 O5 S c1ccc(c(c1....
6 4EKY Ki = 303 uM D1J C15 H20 N2 O7 CCCC#CC1=C....
7 1C50 ic50 = 334 nM CHI C23 H23 Cl F N3 O3 c1cc(ccc1C....
8 5MCB Ki = 2.5 mM CGG C16 H18 O9 c1cc(c(cc1....
9 3L7D Ki = 6.55 mM DK5 C17 H18 F N3 O5 c1ccc(cc1)....
10 1WUY ic50 = 1.6 uM BN3 C18 H15 Cl3 N2 O5 c1cc(c(cc1....
11 2PRI Ki = 1.23 mM D6G C6 H13 O8 P C1[C@H]([C....
12 1NOK Ki = 700 uM NTZ C6 H10 N4 O4 C([C@@H]1[....
13 1WV0 ic50 = 2.9 uM BN4 C20 H20 Cl2 N2 O5 Cc1c(c(ccc....
14 1E1Y ic50 = 2.5 uM CPB C21 H20 Cl N O5 C[N@]1CC[C....
15 1B4D Ki = 15.6 uM CRA C9 H16 N2 O8 COC(=O)N[C....
16 4MI6 Ki = 48.68 uM 26V C20 H29 N O6 c1cc2c(cc1....
17 2QRM Ki = 92.5 uM M09 C14 H18 N2 O8 c1cc(ccc1C....
18 3G2I Ki = 13.7 uM RUG C9 H15 N3 O6 c1c(nnn1[C....
19 1XL0 Ki = 145.2 uM OX2 C9 H14 N2 O6 Cc1nnc(o1)....
20 5LRE - KS3 C18 H19 N3 O5 c1ccc2cc(c....
21 1GPY Kd ~ 25 uM G6P C6 H13 O9 P C([C@@H]1[....
22 2GJ4 ic50 = 319 nM 2TH C16 H13 Cl N2 O2 S c1ccc2c(c1....
23 2GPA - GLC C6 H12 O6 C([C@@H]1[....
24 1P4G Ki = 1.8 mM CGF C7 H14 N4 O6 C([C@@H]1[....
25 1Z6Q ic50 = 74 nM 195 C28 H18 N4 O11 c1cc(cc(c1....
26 3NC4 ic50 = 26.6 uM 26O C14 H19 N3 O6 S c1ccc(c(c1....
27 2AMV Ki = 1.6 nM BIN C20 H21 Cl N O6 CC[n+]1c(c....
28 3MS4 ic50 = 524.3 uM 21N C15 H18 F3 N3 O5 S c1cc(ccc1/....
29 3L79 Ki = 3.46 mM DKX C10 H13 F N2 O6 C1=CN(C(=O....
30 2QRH Ki = 19.6 uM M08 C14 H17 N O6 c1ccc(cc1)....
31 1WW3 Ki = 75 uM NTF C8 H12 F3 N O6 C([C@@H]1[....
32 3MTD ic50 = 340.5 uM 25E C14 H19 N3 O6 S c1cc(ccc1/....
33 1FU4 - GL9 C10 H15 N3 O8 CC(=O)NN1C....
34 1P2B - GLC GLC GLC GLC GLC n/a n/a
35 2FFR - DL6 C8 H14 N4 O6 C([C@@H]1[....
36 1WUT ic50 = 1.9 uM BN2 C21 H21 Cl3 N2 O5 c1ccc(c(c1....
37 2G9U ic50 = 0.84 uM G27 C15 H23 N O3 c1ccc(cc1)....
38 4CTN Ki = 10 uM M8P C19 H18 N2 O7 S c1ccc2cc(c....
39 2GM9 ic50 = 41 nM 3TH C16 H12 Cl N3 O2 S c1ccc2c(c1....
40 1NOI Ki = 700 uM NTZ C6 H10 N4 O4 C([C@@H]1[....
41 4MHO Ki = 8.25 uM 26M C20 H23 N O7 c1ccc(cc1)....
42 3MT9 ic50 = 25.7 uM 18O C14 H18 N4 O7 S c1cc(ccc1/....
43 4CTM Ki = 24 uM MIF C8 H12 N2 O6 S C([C@@H]1[....
44 3SYR Ki = 7.9 uM GPK C10 H13 F N2 O7 C1=C(C(=O)....
45 3G2N - OAK C13 H17 N O6 c1ccc(cc1)....
46 3NP7 ic50 = 140 uM Z15 C12 H15 Cl O7 c1c(c(cc(c....
47 2F3Q Ki = 0.22 mM 6GP C9 H15 N O8 COC(=O)C(=....
48 4YUA Ki = 13.4 uM REF C14 H6 O8 c1c2c-3c(c....
49 4EL0 Ki = 32.4 uM D1K C15 H20 N2 O7 CCCC1=CC2=....
50 2IEI ic50 = 0.121 uM FRX C20 H19 Cl N4 O4 S c1ccc2c(c1....
51 1WW2 Ki = 32 uM NBG C8 H15 N O6 CC(=O)N[C@....
52 4EL5 Ki = 4.7 uM D1M C12 H14 N2 O7 C#CC1=CN(C....
53 4MI3 Ki = 75.29 uM 26R C19 H29 N O6 C[C@H](Cc1....
54 3L7C Ki = 3.67 mM DK4 C10 H12 F2 N2 O6 C1=C(C(=O)....
55 1FTQ - IMP C10 H13 N4 O8 P c1nc2c(n1[....
56 3T3E Ki = 1.02 uM GPQ C10 H13 Cl N2 O7 C1=C(C(=O)....
57 3GPB Kd = 9.5 mM G1P C6 H13 O9 P C([C@@H]1[....
58 2QRG Ki = 6.6 uM M07 C15 H19 N O7 COc1ccc(cc....
59 3L7B Ki = 4.01 mM DKZ C10 H14 F N3 O5 C1=CN(C(=O....
60 3AMV Ki = 10.8 nM BIN C20 H21 Cl N O6 CC[n+]1c(c....
61 2PRJ Ki = 32 uM NBG C8 H15 N O6 CC(=O)N[C@....
62 1C8L ic50 = 6.9 nM BIN C20 H21 Cl N O6 CC[n+]1c(c....
63 1XC7 Ki = 5.1 mM GL6 C8 H18 N O8 P COP(=O)(N[....
64 3MSC ic50 = 484.2 uM 24S C14 H18 N4 O7 S c1ccc(c(c1....
65 1FU7 - CR1 C8 H15 N O7 COC(=O)N[C....
66 4MRA ic50 = 34.8 uM QUE C15 H10 O7 c1cc(c(cc1....
67 5LRC Ki = 7 uM 73E C14 H17 N3 O5 c1ccc(cc1)....
68 2G9R ic50 = 0.84 uM G27 C15 H23 N O3 c1ccc(cc1)....
69 1FTW - GL5 C8 H12 N2 O8 C([C@@H]1[....
70 4MIC Ki = 4.98 uM 26Y C18 H25 N O6 CC(C)c1ccc....
71 1Z62 Ki = 16 uM IAA C18 H13 N3 O4 C1C=CC=C2C....
72 2SKD - IMP C10 H13 N4 O8 P c1nc2c(n1[....
73 5GPB - GPM C7 H15 O8 P C([C@@H]1[....
74 2G9V Ki = 5.2 uM IFM C6 H13 N O3 C1[C@@H]([....
75 3MT7 ic50 = 93.2 uM 16O C14 H18 Br N3 O5 S c1cc(ccc1/....
76 2QRQ Ki = 7.9 uM S13 C15 H21 N O6 Cc1ccc(cc1....
77 5LRF Ki = 0.41 uM KS3 C18 H19 N3 O5 c1ccc2cc(c....
78 1A8I Ki = 3 uM GLS C8 H12 N2 O7 C([C@@H]1[....
79 8GPB Kd = 250 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
80 3SYM Ki = 27.1 uM GP0 C11 H15 F N2 O8 C1=C(C(=O)....
81 1GG8 Ki = 1 mM GLG C7 H13 N O6 C([C@@H]1[....
82 3T3G Ki = 3.27 uM GPU C10 H13 Br N2 O7 C1=C(C(=O)....
83 5LRD Ki = 1.7 uM KS2 C15 H19 N3 O5 Cc1ccc(cc1....
84 3NP9 ic50 = 39.8 uM Z2T C13 H17 Cl O7 COc1cc(c(c....
85 1Z8D - AMP C10 H14 N5 O7 P c1nc(c2c(n....
86 3G2L Ki = 135.9 uM LEW C18 H19 N3 O5 c1ccc2c(c1....
87 4MI9 Ki = 376.87 uM 26W C18 H27 N O6 CCc1ccc(cc....
88 3G2J - 9GP C8 H15 N O7 C([C@@H]1[....
89 1P4J Ki = 0.88 mM CBF C7 H13 N O7 C([C@@H]1[....
90 1GGN Ki = 3.1 uM GLS C8 H12 N2 O7 C([C@@H]1[....
91 3L7A Ki = 46.42 uM DKY C17 H18 F N3 O6 c1ccc(cc1)....
92 1KTI Ki = 370 uM AZC C9 H16 N2 O7 CC(=O)NC(=....
93 2GPB Ki = 2 mM GLC C6 H12 O6 C([C@@H]1[....
94 2F3P Ki = 0.71 mM 4GP C8 H13 N O8 C([C@@H]1[....
95 1LWN - GLC C6 H12 O6 C([C@@H]1[....
96 1P29 - GLC GLC GLC GLC GLC n/a n/a
97 1XKX Ki = 8.6 uM IMK C14 H18 N2 O5 Cc1ccc2c(c....
98 2SKE - IMP C10 H13 N4 O8 P c1nc2c(n1[....
99 1FS4 - CRA C9 H16 N2 O8 COC(=O)N[C....
100 1GFZ Ki ~ 0.15 mM CFF C8 H10 N4 O2 Cn1cnc2c1C....
101 3S0J ic50 = 169.9 uM Z15 C12 H15 Cl O7 c1c(c(cc(c....
102 1WV1 ic50 = 2.8 uM BN5 C20 H20 Cl2 N2 O5 Cc1c(cccc1....
103 2F3S Ki = 0.92 mM 7GP C10 H17 N O8 CCOC(=O)C(....
104 3T3D Ki = 12.39 uM CJB C10 H14 N2 O7 C1=CN(C(=O....
105 1K08 Ki = 4.6 uM BZD C14 H18 N2 O7 c1ccc(cc1)....
106 5JTT Ki = 0.28 uM 6MY C15 H18 N2 O5 c1ccc(cc1)....
107 3G2H Ki = 151.3 uM KOT C14 H17 N3 O5 c1ccc(cc1)....
108 1C8K ic50 = 1 uM CPB C21 H20 Cl N O5 C[N@]1CC[C....
109 3MTA ic50 = 50.4 uM 22O C14 H18 Br N3 O5 S c1cc(cc(c1....
110 2QN1 - 0AS C30 H48 O5 C[C@@H]1CC....
111 3MRV ic50 = 180 uM 16F C14 H19 N3 O6 S c1cc(cc(c1....
112 2PYD Ki = 1.7 mM GLC C6 H12 O6 C([C@@H]1[....
113 1P4H Ki = 0.31 mM CR6 C9 H16 N2 O7 CC(=O)N[C@....
114 4GPB - GFP C6 H12 F O8 P C([C@@H]1[....
115 1FU8 - CR6 C9 H16 N2 O7 CC(=O)N[C@....
116 2SKC - GLC C6 H12 O6 C([C@@H]1[....
117 3MT8 ic50 = 28.3 uM 17T C14 H18 Cl N3 O5 S c1cc(ccc1/....
118 1LWO - GLC C6 H12 O6 C([C@@H]1[....
119 1K06 Ki = 4.6 uM BZD C14 H18 N2 O7 c1ccc(cc1)....
120 4YI3 Ki = 4.95 uM 4D0 C22 H26 N2 O7 c1ccc(cc1)....
121 5JTU Ki = 0.031 uM 6NE C19 H20 N2 O5 c1ccc2cc(c....
122 4MHS Ki = 5.14 uM 26Q C21 H23 N O6 c1ccc(cc1)....
123 1XL1 Ki = 76 uM TH1 C14 H17 N O5 S Cc1ccc2c(c....
124 1H5U ic50 = 178 nM CHI C23 H23 Cl F N3 O3 c1cc(ccc1C....
125 2QRP Ki = 0.63 uM S06 C18 H21 N O6 c1ccc2cc(c....
126 3NPA ic50 = 136.4 uM Z57 C12 H15 Br O7 c1c(c(cc(c....
127 1P2G Ki = 7.4 mM GLC GLC GLC GLC GLC GLC GLC GLC n/a n/a
128 4Z5X Ki = 1730 uM GDE C7 H6 O5 c1c(cc(c(c....
129 4YI5 Ki = 2.53 uM 4D1 C19 H26 N2 O7 CC(C)c1ccc....
130 1NOJ Ki = 700 uM NTZ C6 H10 N4 O4 C([C@@H]1[....
131 2F3U Ki = 1.41 mM 8GP C11 H18 N2 O7 C1CC1NC(=O....
132 1UZU Ki = 13.8 uM INR C16 H10 N2 O5 S c1ccc2c(c1....
133 4CTO Ki = 9 uM M7C C15 H16 N2 O7 S c1ccc(cc1)....
134 3G2K Ki = 16.1 uM SKY C18 H19 N3 O5 c1ccc2cc(c....
135 1Z6P ic50 = 0.9 uM 194 C21 H14 N2 O8 c1ccc(c(c1....
136 2PYI Ki = 0.18 mM DL8 C16 H20 N4 O6 c1ccc(cc1)....
137 3MRX ic50 = 406.5 uM 17S C15 H21 N3 O6 S COc1ccc(cc....
138 2IEG ic50 = 0.135 uM FRY C18 H15 Cl N4 O3 S c1ccc2c(c1....
139 2G9Q Ki = 342 nM 1AB C5 H11 N O3 C1[C@H]([C....
140 3MTB ic50 = 23.2 uM 23V C14 H18 Cl N3 O5 S c1cc(cc(c1....
141 2OFF Ki = 0.46 uM OFF C23 H20 O10 c1cc(ccc1C....
142 1P2D - GLC GLC n/a n/a
143 1HLF Ki = 2.3 uM GL4 C8 H12 N2 O6 S C([C@@H]1[....
144 3MS2 ic50 = 192.4 uM 18S C15 H21 N3 O5 S Cc1ccc(cc1....
145 2AV6 - BGC GLC GLC GLC GLC n/a n/a
146 1L6I - GLC GLC GLC GLC GLC n/a n/a
147 1L5W - GLC GLC GLC GLC n/a n/a
148 2AW3 - BGC GLC GLC GLC GLC n/a n/a
149 1QM5 Ki = 1.5 uM GLC GLC GLC PO4 SGC GLC n/a n/a
150 1L5V - G1P C6 H13 O9 P C([C@@H]1[....
151 2AZD - BGC GLC GLC GLC n/a n/a
152 1L5R ic50 = 0.145 uM 700 C22 H20 Cl N3 O4 c1ccc(cc1)....
153 1EM6 ic50 = 6 nM CP4 C24 H24 Cl2 N4 O4 c1cc2c(cc1....
154 1L5Q ic50 = 0.145 uM 700 C22 H20 Cl N3 O4 c1ccc(cc1)....
155 1EXV ic50 = 45 nM 700 C22 H20 Cl N3 O4 c1ccc(cc1)....
156 1L7X ic50 = 0.145 uM 700 C22 H20 Cl N3 O4 c1ccc(cc1)....
157 3DDS ic50 = 506 nM 26B C29 H35 N3 O5 Cc1cc(c(c(....
158 1FC0 - NBG C8 H15 N O6 CC(=O)N[C@....
159 3CEM Kd = 24 nM AVD C23 H12 Cl2 F2 N2 O5 c1ccc(c(c1....
160 2ATI ic50 = 23 nM IHU C15 H12 Cl F N2 O4 COc1ccc(cc....
161 1L5S ic50 = 0.145 uM 700 C22 H20 Cl N3 O4 c1ccc(cc1)....
162 1FA9 - GLC C6 H12 O6 C([C@@H]1[....
163 1XOI ic50 = 0.057 uM 288 C18 H24 Cl N3 O3 c1cc2c(cc1....
164 3DDW ic50 = 1067 nM 055 C27 H22 Cl N3 O4 Cc1cccc(c1....
165 2ZB2 ic50 = 0.9 uM A46 C17 H15 Cl N2 O3 c1cc(ccc1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC GLC GLC PO4 SGC GLC; Similar ligands found: 70
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC PO4 SGC GLC 1 1
2 BGC GLC GLC GLC GLC 0.5 0.673469
3 BMA BMA BMA 0.5 0.673469
4 BGC GLC GLC GLC 0.5 0.673469
5 GLC GLC GLC GLC GLC 0.5 0.673469
6 MLR 0.5 0.673469
7 CE6 0.5 0.673469
8 CE8 0.5 0.673469
9 MAN BMA BMA 0.5 0.673469
10 CEY 0.5 0.673469
11 GLC BGC BGC 0.5 0.673469
12 BGC BGC BGC GLC 0.5 0.673469
13 CTR 0.5 0.673469
14 CE5 0.5 0.673469
15 MAN MAN BMA BMA BMA BMA 0.5 0.673469
16 GLC GAL GAL 0.5 0.673469
17 BGC BGC BGC BGC BGC BGC 0.5 0.673469
18 MAN BMA BMA BMA BMA 0.5 0.673469
19 GLA GAL GLC 0.5 0.673469
20 DXI 0.5 0.673469
21 GLC BGC BGC BGC BGC BGC 0.5 0.673469
22 CTT 0.5 0.673469
23 BGC GLC GLC 0.5 0.673469
24 GLC BGC GLC 0.5 0.673469
25 GLC GLC GLC GLC GLC GLC GLC GLC 0.5 0.673469
26 GAL GAL GAL 0.5 0.673469
27 B4G 0.5 0.673469
28 BGC GLC GLC GLC GLC GLC GLC 0.5 0.673469
29 BMA MAN BMA 0.5 0.673469
30 BMA BMA BMA BMA BMA 0.5 0.673469
31 BMA BMA BMA BMA BMA BMA 0.5 0.673469
32 GLC GLC BGC 0.5 0.673469
33 CEX 0.5 0.673469
34 MTT 0.5 0.673469
35 MT7 0.5 0.673469
36 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.5 0.673469
37 GLC GLC BGC GLC GLC GLC GLC 0.5 0.673469
38 GLC GLC GLC GLC GLC GLC GLC 0.5 0.673469
39 GLC BGC BGC BGC BGC 0.5 0.673469
40 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.5 0.673469
41 CT3 0.5 0.673469
42 BMA BMA BMA BMA BMA BMA MAN 0.47619 0.66
43 MAN BMA BMA BMA BMA BMA 0.47619 0.66
44 BGC GLC 0.45 0.673469
45 N9S 0.45 0.673469
46 MAL 0.45 0.673469
47 LBT 0.45 0.673469
48 BMA GAL 0.45 0.673469
49 LAT 0.45 0.673469
50 GLC GAL 0.45 0.673469
51 BGC GAL 0.45 0.673469
52 CBI 0.45 0.673469
53 B2G 0.45 0.673469
54 GAL BGC 0.45 0.673469
55 GLC BGC 0.45 0.673469
56 CBK 0.45 0.673469
57 GAL GLC 0.45 0.673469
58 MAB 0.45 0.673469
59 GLA GAL 0.45 0.673469
60 BMA BMA 0.45 0.673469
61 GLA GLA 0.45 0.673469
62 MAL MAL 0.45 0.66
63 BGC BMA 0.45 0.673469
64 BGC BGC BGC BGC 0.449438 0.673469
65 BGC BGC BGC BGC BGC BGC BGC BGC 0.449438 0.673469
66 GLC GLC GLC BGC 0.445652 0.673469
67 BMA BMA GLA BMA BMA 0.425532 0.673469
68 GLA GAL BGC 0.404494 0.673469
69 GLA GAL GAL 0.404494 0.673469
70 BGC BGC XYS BGC 0.4 0.647059
Ligand no: 2; Ligand: PLP; Similar ligands found: 55
No: Ligand ECFP6 Tc MDL keys Tc
1 PLP 1 1
2 PZP 0.729167 0.843137
3 EXT 0.62069 0.8
4 AN7 0.603448 0.918367
5 EPC 0.603448 0.862745
6 FOO 0.59322 0.849057
7 PLR 0.58 0.895833
8 4LM 0.57377 0.818182
9 0JO 0.57377 0.803571
10 P3D 0.571429 0.704918
11 MPM 0.564516 0.814815
12 KOU 0.555556 0.836364
13 HCP 0.546875 0.77193
14 6DF 0.545455 0.811321
15 PXL 0.541667 0.659574
16 Z98 0.537313 0.75
17 PXP 0.537037 0.862745
18 PMP 0.527273 0.767857
19 P0P 0.527273 0.916667
20 PL6 0.522388 0.818182
21 GT1 0.517857 0.830189
22 PFM 0.514706 0.803571
23 LLP 0.5 0.737705
24 PL5 0.479452 0.775862
25 PUS 0.479452 0.707692
26 MPL 0.473684 0.836364
27 PLG 0.46875 0.75
28 IN5 0.46875 0.758621
29 P89 0.466667 0.714286
30 PLP PUT 0.463768 0.684211
31 5DK 0.460526 0.725806
32 O1G 0.454545 0.75
33 PLP ABU 0.450704 0.706897
34 PLT 0.439024 0.762712
35 X04 0.431034 0.851852
36 PP3 0.426471 0.762712
37 P1T 0.426471 0.714286
38 PDD 0.426471 0.762712
39 PDA 0.426471 0.762712
40 IK2 0.42029 0.714286
41 33P 0.42029 0.745763
42 2BO 0.414286 0.793103
43 PLS 0.414286 0.779661
44 PMH 0.414286 0.619718
45 5PA 0.414286 0.714286
46 TLP 0.414286 0.793103
47 2BK 0.414286 0.793103
48 C6P 0.408451 0.75
49 PPD 0.408451 0.75
50 QLP 0.405405 0.681818
51 MP5 0.403509 0.666667
52 PY5 0.402778 0.703125
53 PLA 0.402778 0.703125
54 HEY 0.4 0.703125
55 PLP PHE 0.4 0.732143
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1QM5; Ligand: GLC GLC GLC PO4 SGC GLC; Similar sites found: 78
This union binding pocket(no: 1) in the query (biounit: 1qm5.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1L5J TRA 0.006198 0.45213 0.879397
2 4QVH MAL 0.01553 0.42206 1.17057
3 3SZB I1E 0.0182 0.42232 1.27932
4 4U98 ACP 0.003674 0.44112 1.54185
5 5NGL NOJ BGC 0.02582 0.41451 1.82186
6 1KWK GAL 0.03241 0.41324 1.88442
7 5FJJ MAN 0.03623 0.43849 2.01005
8 2J4D MHF 0.0395 0.40905 2.09524
9 5JOX EDG 0.04311 0.40265 2.13178
10 4ISS TAR 0.03837 0.41127 2.17391
11 4D52 GXL 0.04886 0.40178 2.22222
12 5EVY SAL 0.04641 0.40577 2.28311
13 4XSU GLC 0.00006417 0.42849 2.31959
14 4XSU UDP 0.0001545 0.41465 2.31959
15 2AJ4 GLA 0.03529 0.41122 2.37226
16 4JWK CTN 0.04015 0.40607 2.59067
17 1SO0 GAL 0.0419 0.40714 2.61628
18 3H4Z GLC GLC 0.01505 0.4269 2.64085
19 3OBT SLB 0.01185 0.41916 2.76498
20 1R6N 434 0.01884 0.42873 2.8436
21 4RQL SNE 0.03763 0.40902 2.94118
22 4LAX FK5 0.02251 0.42186 2.97398
23 3DGB MUC 0.0243 0.40838 3.14136
24 1NSZ GLC 0.04647 0.4009 3.17003
25 2IW1 U2F 0.0001606 0.46641 3.20856
26 3FIU POP 0.00414 0.46756 3.21285
27 1U0A BGC BGC BGC BGC 0.01098 0.41832 3.27103
28 3NB0 G6P 0.0002758 0.51802 3.31034
29 2PUL ACP 0.01791 0.40809 3.52645
30 3LN9 FLC 0.008481 0.44009 3.59712
31 5J6Y BGC 0.01786 0.43996 3.7234
32 5J6Y GLC 0.01786 0.43996 3.7234
33 1NSA BEN 0.02923 0.40489 3.79747
34 4L77 CNL 0.04065 0.40786 4.0201
35 2J5V PCA 0.01043 0.44804 4.08719
36 4PQG NAG 0.00002204 0.5755 4.10959
37 5LX6 78P 0.04168 0.40772 4.18848
38 1QMG DMV 0.0234 0.41687 4.58015
39 2J5B TYE 0.0451 0.40432 4.5977
40 4XR8 MAL 0.01149 0.43308 4.63576
41 3ZGJ RMN 0.04582 0.405 5.12129
42 5HWC FK5 0.04403 0.40216 5.21739
43 4V36 LYN 0.03131 0.41601 5.37313
44 3P7G MAN 0.03347 0.41401 5.47945
45 2ATJ BHO 0.02068 0.41931 5.51948
46 4YLZ LAT NAG GAL 0.0212 0.42442 5.88235
47 4X7R 3YW 0.0001652 0.46965 6.08519
48 4X7R UDP 0.004615 0.42895 6.08519
49 4X7R NTO 0.00004182 0.41988 6.08519
50 4BCQ TJF 0.03525 0.40731 6.10687
51 2QZS GLC 0.00000001587 0.50605 6.18557
52 2QZS 250 0.00000001587 0.50605 6.18557
53 2QZS ADP 0.00000001587 0.50605 6.18557
54 4F97 VDO 0.001768 0.42443 6.23742
55 2B4B B33 0.01253 0.42907 7.01754
56 2C29 DQH 0.02585 0.40039 7.12166
57 4UYF 73B 0.04427 0.40408 7.14286
58 2WTX VDO 0.0001568 0.4467 7.173
59 2WTX UDP 0.0001754 0.44219 7.173
60 1WHT BZS 0.03529 0.41196 7.18954
61 5JNW 6LJ 0.03019 0.42163 7.54717
62 4QBK 3NZ 0.03574 0.40333 7.73196
63 5EOO CIT 0.04395 0.40127 7.92453
64 3AQA BYH 0.03249 0.4134 8.59375
65 1GXS BEZ 0.04233 0.40839 8.86076
66 4CQE CQE 0.004212 0.42396 8.99281
67 4DE2 DN3 0.0261 0.41426 9.12547
68 3G2Y GF4 0.04082 0.40425 9.12547
69 4DE3 DN8 0.03128 0.40283 9.12547
70 3IX1 NFM 0.04822 0.40378 9.60265
71 5NFB 8VT 0.03209 0.40448 10.2273
72 3BY9 SIN 0.03228 0.41615 12.3077
73 1NX0 ALA LYS ALA ILE ALA 0.04846 0.40831 14.4509
74 1HE1 AF3 0.02312 0.42123 14.8148
75 3DER ALA LYS 0.003957 0.42851 15.6522
76 5VYQ 0FX 0.02484 0.40447 16.4706
77 3AI3 SOL 0.03656 0.41038 16.73
78 5HWV MBN 0.04547 0.40518 35.3846
Pocket No.: 2; Query (leader) PDB : 1QM5; Ligand: PLP; Similar sites found: 72
This union binding pocket(no: 2) in the query (biounit: 1qm5.bio1) has 45 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1L5J TRA 0.009456 0.45213 0.879397
2 5X7Q GLC GLC GLC GLC 0.009384 0.44338 1.13065
3 4CJN QNZ 0.04131 0.41519 1.55763
4 3TDC 0EU 0.00372 0.43212 1.70604
5 5KOD IAC 0.02037 0.42398 2.28758
6 4XSU GLC 0.000003296 0.43138 2.31959
7 4XSU UDP 0.000006667 0.42311 2.31959
8 4IA6 EIC 0.02118 0.43407 2.36887
9 2CJZ PTR 0.02385 0.42669 2.62295
10 5O4F 8VE 0.04229 0.40193 2.71318
11 3OBT SLB 0.02277 0.42233 2.76498
12 1MS9 LAT 0.01215 0.41933 2.77778
13 2XA2 UPG 0.0003634 0.48286 2.88462
14 5HR5 ADP 0.0105 0.42563 3.01318
15 2IW1 U2F 0.000002048 0.55793 3.20856
16 3FIU POP 0.03166 0.42549 3.21285
17 1U0A BGC BGC BGC BGC 0.02468 0.41064 3.27103
18 3NB0 G6P 0.0004631 0.51802 3.31034
19 3I9U DTU 0.04683 0.41964 3.42205
20 1XV5 UDP 0.007493 0.43632 3.49127
21 2IBN I1N 0.01179 0.44225 3.6
22 5J6Y BGC 0.01893 0.44577 3.7234
23 5J6Y GLC 0.01893 0.44577 3.7234
24 3BEO UDP 0.03363 0.40393 3.73333
25 2J5V PCA 0.01484 0.44804 4.08719
26 4PQG NAG 0.00004462 0.57271 4.10959
27 4PQG UDP 0.00008913 0.51543 4.10959
28 1K6M AGS 0.019 0.40442 4.16667
29 1QH8 HCA 0.02324 0.41888 4.1841
30 3I51 45C 0.04746 0.40246 4.44444
31 3EXS 5RP 0.04539 0.40348 4.52489
32 1RZU ADP 0.00111 0.49203 4.74227
33 3H4T UDP 0.0148 0.4094 4.9505
34 1F28 F89 0.03842 0.40103 5.05051
35 3B8I OXL 0.02944 0.43396 5.22648
36 3P7G MAN 0.04807 0.41401 5.47945
37 3SE5 ANP 0.03128 0.40551 5.4878
38 4YLZ LAT NAG GAL 0.0309 0.42442 5.88235
39 4RW3 SHV 0.04687 0.40895 6.03015
40 4X7R UDP 0.000003466 0.58712 6.08519
41 4X7R 3YW 0.00000223 0.56142 6.08519
42 4X7R NTO 0.0000848 0.46953 6.08519
43 4BCQ TJF 0.04497 0.41056 6.10687
44 2QZS GLC 0.000000002083 0.56756 6.18557
45 2QZS 250 0.000000002083 0.56756 6.18557
46 2QZS ADP 0.000000002083 0.56756 6.18557
47 1WZ1 DNS 0.0197 0.4339 6.19469
48 4F97 VDO 0.0001446 0.48077 6.23742
49 4F97 GDP 0.02055 0.42518 6.23742
50 1FUT 2GP 0.01742 0.43967 6.60377
51 1TH8 ADP 0.04538 0.40681 6.89655
52 4WES HCA 0.008264 0.44848 6.92884
53 3LA3 2FT 0.03668 0.41975 6.99588
54 2B4B B33 0.01816 0.42907 7.01754
55 2C29 DQH 0.03903 0.40069 7.12166
56 2WTX UDP 0.000003127 0.45821 7.173
57 2WTX VDO 0.00002994 0.4234 7.173
58 5JNW 6LJ 0.04223 0.42163 7.54717
59 4QBK 3NZ 0.04872 0.40515 7.73196
60 1M7G AV2 0.03658 0.41549 8.53081
61 3B6C SDN 0.0324 0.42235 8.54701
62 4CQE CQE 0.006738 0.42504 8.99281
63 1ZX5 LFR 0.04323 0.42314 9
64 3G2Y GF4 0.02633 0.41872 9.12547
65 3HEE R5P 0.04363 0.41129 9.39597
66 3MMH SME 0.03979 0.40987 9.58084
67 3OKP GDD 0.00112 0.48169 9.64467
68 4C2C ALA ALA ALA 0.02703 0.41468 10.0897
69 5NFB 8VT 0.04527 0.40448 10.2273
70 1SDW IYT 0.04501 0.40367 12.4204
71 1LNM DTX 0.02135 0.40481 15.2174
72 3DER ALA LYS 0.006633 0.42851 15.6522
Pocket No.: 3; Query (leader) PDB : 1QM5; Ligand: PLP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1qm5.bio1) has 44 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1QM5; Ligand: GLC GLC GLC PO4 SGC GLC; Similar sites found: 12
This union binding pocket(no: 4) in the query (biounit: 1qm5.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2VOT NHV 0.01007 0.42264 1.63317
2 4AZC NGW 0.009619 0.43983 3.16742
3 4X7Q 3YR 0.01646 0.41219 3.20513
4 4PBG BGP 0.0455 0.40037 3.63248
5 1E2S CSN 0.02653 0.40199 3.68098
6 1US5 GLU 0.02569 0.40609 4.14013
7 1RZU ADP 0.03055 0.40229 4.74227
8 3P2H MTA 0.03399 0.40176 4.97512
9 2QS8 MET 0.04952 0.40213 5.02392
10 2FV1 GAD NDG 0.01744 0.42242 5.30504
11 4BGB ADP 0.03573 0.4023 5.53846
12 4U5I BXP 0.02019 0.42185 8.43672
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