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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 [SH0]...
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 (177)
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 6F3R Ki = 1.19 uM CKZ C21 H21 N3 O5 c1ccc-2c(c....
9 5MCB Ki = 2.5 mM CGG C16 H18 O9 c1cc(c(cc1....
10 3L7D Ki = 6.55 mM DK5 C17 H18 F N3 O5 c1ccc(cc1)....
11 1WUY ic50 = 1.6 uM BN3 C18 H15 Cl3 N2 O5 c1cc(c(cc1....
12 2PRI Ki = 1.23 mM D6G C6 H13 O8 P C1[C@H]([C....
13 1NOK Ki = 700 uM NTZ C6 H10 N4 O4 C([C@@H]1[....
14 1WV0 ic50 = 2.9 uM BN4 C20 H20 Cl2 N2 O5 Cc1c(c(ccc....
15 5OWY - B0W C15 H17 N3 O7 c1cc(ccc1c....
16 1E1Y ic50 = 2.5 uM CPB C21 H20 Cl N O5 C[N@]1CC[C....
17 1B4D Ki = 15.6 uM CRA C9 H16 N2 O8 COC(=O)N[C....
18 4MI6 Ki = 48.68 uM 26V C20 H29 N O6 c1cc2c(cc1....
19 2QRM Ki = 92.5 uM M09 C14 H18 N2 O8 c1cc(ccc1C....
20 3G2I Ki = 13.7 uM RUG C9 H15 N3 O6 c1c(nnn1[C....
21 1XL0 Ki = 145.2 uM OX2 C9 H14 N2 O6 Cc1nnc(o1)....
22 5LRE - KS3 C18 H19 N3 O5 c1ccc2cc(c....
23 1GPY Kd ~ 25 uM G6P C6 H13 O9 P C([C@@H]1[....
24 2GJ4 ic50 = 319 nM 2TH C16 H13 Cl N2 O2 S c1ccc2c(c1....
25 2GPA - GLC C6 H12 O6 C([C@@H]1[....
26 1P4G Ki = 1.8 mM CGF C7 H14 N4 O6 C([C@@H]1[....
27 1Z6Q ic50 = 74 nM 195 C28 H18 N4 O11 c1cc(cc(c1....
28 3NC4 ic50 = 26.6 uM 26O C14 H19 N3 O6 S c1ccc(c(c1....
29 2AMV Ki = 1.6 nM BIN C20 H21 Cl N O6 CC[n+]1c(c....
30 3MS4 ic50 = 524.3 uM 21N C15 H18 F3 N3 O5 S c1cc(ccc1/....
31 3L79 Ki = 3.46 mM DKX C10 H13 F N2 O6 C1=CN(C(=O....
32 2QRH Ki = 19.6 uM M08 C14 H17 N O6 c1ccc(cc1)....
33 1WW3 Ki = 75 uM NTF C8 H12 F3 N O6 C([C@@H]1[....
34 3MTD ic50 = 340.5 uM 25E C14 H19 N3 O6 S c1cc(ccc1/....
35 1FU4 - GL9 C10 H15 N3 O8 CC(=O)NN1C....
36 1P2B - GLC GLC GLC GLC GLC n/a n/a
37 2FFR - DL6 C8 H14 N4 O6 C([C@@H]1[....
38 1WUT ic50 = 1.9 uM BN2 C21 H21 Cl3 N2 O5 c1ccc(c(c1....
39 2G9U ic50 = 0.84 uM G27 C15 H23 N O3 c1ccc(cc1)....
40 6F3U Ki = 11.5 uM CNK C18 H19 N3 O5 c1ccc2c(c1....
41 4CTN Ki = 10 uM M8P C19 H18 N2 O7 S c1ccc2cc(c....
42 2GM9 ic50 = 41 nM 3TH C16 H12 Cl N3 O2 S c1ccc2c(c1....
43 1NOI Ki = 700 uM NTZ C6 H10 N4 O4 C([C@@H]1[....
44 4MHO Ki = 8.25 uM 26M C20 H23 N O7 c1ccc(cc1)....
45 3MT9 ic50 = 25.7 uM 18O C14 H18 N4 O7 S c1cc(ccc1/....
46 4CTM Ki = 24 uM MIF C8 H12 N2 O6 S C([C@@H]1[....
47 3SYR Ki = 7.9 uM GPK C10 H13 F N2 O7 C1=C(C(=O)....
48 3G2N - OAK C13 H17 N O6 c1ccc(cc1)....
49 3NP7 ic50 = 140 uM Z15 C12 H15 Cl O7 c1c(c(cc(c....
50 2F3Q Ki = 0.22 mM 6GP C9 H15 N O8 COC(=O)C(=....
51 4YUA Ki = 13.4 uM REF C14 H6 O8 c1c2c-3c(c....
52 4EL0 Ki = 32.4 uM D1K C15 H20 N2 O7 CCCC1=CC2=....
53 2IEI ic50 = 0.121 uM FRX C20 H19 Cl N4 O4 S c1ccc2c(c1....
54 1WW2 Ki = 32 uM NBG C8 H15 N O6 CC(=O)N[C@....
55 4EL5 Ki = 4.7 uM D1M C12 H14 N2 O7 C#CC1=CN(C....
56 4MI3 Ki = 75.29 uM 26R C19 H29 N O6 C[C@H](Cc1....
57 3L7C Ki = 3.67 mM DK4 C10 H12 F2 N2 O6 C1=C(C(=O)....
58 1FTQ - IMP C10 H13 N4 O8 P c1nc2c(n1[....
59 3T3E Ki = 1.02 uM GPQ C10 H13 Cl N2 O7 C1=C(C(=O)....
60 3GPB Kd = 9.5 mM G1P C6 H13 O9 P C([C@@H]1[....
61 2QRG Ki = 6.6 uM M07 C15 H19 N O7 COc1ccc(cc....
62 3L7B Ki = 4.01 mM DKZ C10 H14 F N3 O5 C1=CN(C(=O....
63 3AMV Ki = 10.8 nM BIN C20 H21 Cl N O6 CC[n+]1c(c....
64 5OX1 Ki = 1.95 uM B1K C15 H19 N3 O6 COc1ccc(cc....
65 2PRJ Ki = 32 uM NBG C8 H15 N O6 CC(=O)N[C@....
66 1C8L ic50 = 6.9 nM BIN C20 H21 Cl N O6 CC[n+]1c(c....
67 1XC7 Ki = 5.1 mM GL6 C8 H18 N O8 P COP(=O)(N[....
68 3MSC ic50 = 484.2 uM 24S C14 H18 N4 O7 S c1ccc(c(c1....
69 1FU7 - CR1 C8 H15 N O7 COC(=O)N[C....
70 4MRA ic50 = 34.8 uM QUE C15 H10 O7 c1cc(c(cc1....
71 5LRC Ki = 7 uM 73E C14 H17 N3 O5 c1ccc(cc1)....
72 2G9R ic50 = 0.84 uM G27 C15 H23 N O3 c1ccc(cc1)....
73 1FTW - GL5 C8 H12 N2 O8 C([C@@H]1[....
74 4MIC Ki = 4.98 uM 26Y C18 H25 N O6 CC(C)c1ccc....
75 1Z62 Ki = 16 uM IAA C18 H13 N3 O4 C1C=CC=C2C....
76 2SKD - IMP C10 H13 N4 O8 P c1nc2c(n1[....
77 5GPB - GPM C7 H15 O8 P C([C@@H]1[....
78 2G9V Ki = 5.2 uM IFM C6 H13 N O3 C1[C@@H]([....
79 3MT7 ic50 = 93.2 uM 16O C14 H18 Br N3 O5 S c1cc(ccc1/....
80 5OWZ Ki = 111 uM B0Z C15 H16 F3 N3 O5 c1cc(ccc1c....
81 2QRQ Ki = 7.9 uM S13 C15 H21 N O6 Cc1ccc(cc1....
82 5LRF Ki = 0.41 uM KS3 C18 H19 N3 O5 c1ccc2cc(c....
83 1A8I Ki = 3 uM GLS C8 H12 N2 O7 C([C@@H]1[....
84 8GPB Kd = 250 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
85 6F3J Ki = 4.42 uM CKQ C21 H21 N3 O7 c1cc(ccc1c....
86 3SYM Ki = 27.1 uM GP0 C11 H15 F N2 O8 C1=C(C(=O)....
87 1GG8 Ki = 1 mM GLG C7 H13 N O6 C([C@@H]1[....
88 3T3G Ki = 3.27 uM GPU C10 H13 Br N2 O7 C1=C(C(=O)....
89 5LRD Ki = 1.7 uM KS2 C15 H19 N3 O5 Cc1ccc(cc1....
90 3NP9 ic50 = 39.8 uM Z2T C13 H17 Cl O7 COc1cc(c(c....
91 1Z8D - AMP C10 H14 N5 O7 P c1nc(c2c(n....
92 3G2L Ki = 135.9 uM LEW C18 H19 N3 O5 c1ccc2c(c1....
93 4MI9 Ki = 376.87 uM 26W C18 H27 N O6 CCc1ccc(cc....
94 3G2J - 9GP C8 H15 N O7 C([C@@H]1[....
95 1P4J Ki = 0.88 mM CBF C7 H13 N O7 C([C@@H]1[....
96 1GGN Ki = 3.1 uM GLS C8 H12 N2 O7 C([C@@H]1[....
97 3L7A Ki = 46.42 uM DKY C17 H18 F N3 O6 c1ccc(cc1)....
98 1KTI Ki = 370 uM AZC C9 H16 N2 O7 CC(=O)NC(=....
99 2GPB Ki = 2 mM GLC C6 H12 O6 C([C@@H]1[....
100 6F3S Ki = 2.38 uM CKW C20 H21 N3 O5 c1ccc(cc1)....
101 2F3P Ki = 0.71 mM 4GP C8 H13 N O8 C([C@@H]1[....
102 5OX3 Ki = 2.9 uM B1N C14 H17 N3 O6 c1cc(ccc1c....
103 1LWN - GLC C6 H12 O6 C([C@@H]1[....
104 1P29 - GLC GLC GLC GLC GLC n/a n/a
105 1XKX Ki = 8.6 uM IMK C14 H18 N2 O5 Cc1ccc2c(c....
106 2SKE - IMP C10 H13 N4 O8 P c1nc2c(n1[....
107 1FS4 - CRA C9 H16 N2 O8 COC(=O)N[C....
108 1GFZ Ki ~ 0.15 mM CFF C8 H10 N4 O2 Cn1cnc2c1C....
109 3S0J ic50 = 169.9 uM Z15 C12 H15 Cl O7 c1c(c(cc(c....
110 1WV1 ic50 = 2.8 uM BN5 C20 H20 Cl2 N2 O5 Cc1c(cccc1....
111 6F3L Ki = 5.05 uM CJW C19 H19 N3 O7 c1cc(cc2c1....
112 2F3S Ki = 0.92 mM 7GP C10 H17 N O8 CCOC(=O)C(....
113 3T3D Ki = 12.39 uM CJB C10 H14 N2 O7 C1=CN(C(=O....
114 1K08 Ki = 4.6 uM BZD C14 H18 N2 O7 c1ccc(cc1)....
115 5JTT Ki = 0.28 uM 6MY C15 H18 N2 O5 c1ccc(cc1)....
116 3G2H Ki = 151.3 uM KOT C14 H17 N3 O5 c1ccc(cc1)....
117 1C8K ic50 = 1 uM CPB C21 H20 Cl N O5 C[N@]1CC[C....
118 3MTA ic50 = 50.4 uM 22O C14 H18 Br N3 O5 S c1cc(cc(c1....
119 2QN1 - 0AS C30 H48 O5 C[C@@H]1CC....
120 5OX0 Ki = 33.5 uM B1H C14 H17 N4 O7 c1cc(ccc1c....
121 3MRV ic50 = 180 uM 16F C14 H19 N3 O6 S c1cc(cc(c1....
122 2PYD Ki = 1.7 mM GLC C6 H12 O6 C([C@@H]1[....
123 1P4H Ki = 0.31 mM CR6 C9 H16 N2 O7 CC(=O)N[C@....
124 4GPB - GFP C6 H12 F O8 P C([C@@H]1[....
125 1FU8 - CR6 C9 H16 N2 O7 CC(=O)N[C@....
126 5MEM Ki = 71 nM 7LS C23 H22 N4 O7 c1ccc2c(c1....
127 2SKC - GLC C6 H12 O6 C([C@@H]1[....
128 3MT8 ic50 = 28.3 uM 17T C14 H18 Cl N3 O5 S c1cc(ccc1/....
129 1LWO - GLC C6 H12 O6 C([C@@H]1[....
130 1K06 Ki = 4.6 uM BZD C14 H18 N2 O7 c1ccc(cc1)....
131 4YI3 Ki = 4.95 uM 4D0 C22 H26 N2 O7 c1ccc(cc1)....
132 5JTU Ki = 0.031 uM 6NE C19 H20 N2 O5 c1ccc2cc(c....
133 4MHS Ki = 5.14 uM 26Q C21 H23 N O6 c1ccc(cc1)....
134 5OX4 Ki = 0.67 uM B1W C14 H18 N4 O5 c1cc(ccc1c....
135 1XL1 Ki = 76 uM TH1 C14 H17 N O5 S Cc1ccc2c(c....
136 1H5U ic50 = 178 nM CHI C23 H23 Cl F N3 O3 c1cc(ccc1C....
137 2QRP Ki = 0.63 uM S06 C18 H21 N O6 c1ccc2cc(c....
138 3NPA ic50 = 136.4 uM Z57 C12 H15 Br O7 c1c(c(cc(c....
139 1P2G Ki = 7.4 mM GLC GLC GLC GLC GLC GLC GLC GLC n/a n/a
140 4Z5X Ki = 1730 uM GDE C7 H6 O5 c1c(cc(c(c....
141 4YI5 Ki = 2.53 uM 4D1 C19 H26 N2 O7 CC(C)c1ccc....
142 1NOJ Ki = 700 uM NTZ C6 H10 N4 O4 C([C@@H]1[....
143 2F3U Ki = 1.41 mM 8GP C11 H18 N2 O7 C1CC1NC(=O....
144 1UZU Ki = 13.8 uM INR C16 H10 N2 O5 S c1ccc2c(c1....
145 4CTO Ki = 9 uM M7C C15 H16 N2 O7 S c1ccc(cc1)....
146 3G2K Ki = 16.1 uM SKY C18 H19 N3 O5 c1ccc2cc(c....
147 1Z6P ic50 = 0.9 uM 194 C21 H14 N2 O8 c1ccc(c(c1....
148 2PYI Ki = 0.18 mM DL8 C16 H20 N4 O6 c1ccc(cc1)....
149 3MRX ic50 = 406.5 uM 17S C15 H21 N3 O6 S COc1ccc(cc....
150 2IEG ic50 = 0.135 uM FRY C18 H15 Cl N4 O3 S c1ccc2c(c1....
151 2G9Q Ki = 342 nM 1AB C5 H11 N O3 C1[C@H]([C....
152 3MTB ic50 = 23.2 uM 23V C14 H18 Cl N3 O5 S c1cc(cc(c1....
153 2OFF Ki = 0.46 uM OFF C23 H20 O10 c1cc(ccc1C....
154 1P2D - GLC GLC n/a n/a
155 1HLF Ki = 2.3 uM GL4 C8 H12 N2 O6 S C([C@@H]1[....
156 3MS2 ic50 = 192.4 uM 18S C15 H21 N3 O5 S Cc1ccc(cc1....
157 2AV6 - BGC GLC GLC GLC GLC n/a n/a
158 1L6I - GLC GLC GLC GLC GLC n/a n/a
159 1L5W - GLC GLC GLC GLC n/a n/a
160 2AW3 - BGC GLC GLC GLC GLC n/a n/a
161 1QM5 Ki = 1.5 uM GLC GLC GLC PO4 SGC GLC n/a n/a
162 1L5V - G1P C6 H13 O9 P C([C@@H]1[....
163 2AZD - BGC GLC GLC GLC n/a n/a
164 1L5R ic50 = 0.145 uM 700 C22 H20 Cl N3 O4 c1ccc(cc1)....
165 1EM6 ic50 = 6 nM CP4 C24 H24 Cl2 N4 O4 c1cc2c(cc1....
166 1L5Q ic50 = 0.145 uM 700 C22 H20 Cl N3 O4 c1ccc(cc1)....
167 1EXV ic50 = 45 nM 700 C22 H20 Cl N3 O4 c1ccc(cc1)....
168 1L7X ic50 = 0.145 uM 700 C22 H20 Cl N3 O4 c1ccc(cc1)....
169 3DDS ic50 = 506 nM 26B C29 H35 N3 O5 Cc1cc(c(c(....
170 1FC0 - NBG C8 H15 N O6 CC(=O)N[C@....
171 3CEM Kd = 24 nM AVD C23 H12 Cl2 F2 N2 O5 c1ccc(c(c1....
172 2ATI ic50 = 23 nM IHU C15 H12 Cl F N2 O4 COc1ccc(cc....
173 1L5S ic50 = 0.145 uM 700 C22 H20 Cl N3 O4 c1ccc(cc1)....
174 1FA9 - GLC C6 H12 O6 C([C@@H]1[....
175 1XOI ic50 = 0.057 uM 288 C18 H24 Cl N3 O3 c1cc2c(cc1....
176 3DDW ic50 = 1067 nM 055 C27 H22 Cl N3 O4 Cc1cccc(c1....
177 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: 71
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC PO4 SGC GLC 1 1
2 MAN BMA BMA BMA BMA BMA 0.487805 0.66
3 CTT 0.487805 0.66
4 BGC GLC GLC 0.487805 0.66
5 MAN MAN BMA BMA BMA BMA 0.487805 0.66
6 GLC BGC BGC BGC BGC 0.487805 0.66
7 BGC BGC GLC 0.487805 0.66
8 BGC BGC BGC 0.487805 0.66
9 MLR 0.487805 0.66
10 MAN BMA BMA 0.487805 0.66
11 BGC BGC BGC GLC 0.487805 0.66
12 GLC BGC BGC BGC 0.487805 0.66
13 MAN BMA BMA BMA BMA 0.487805 0.66
14 GLC GLC BGC 0.487805 0.66
15 BGC BGC BGC BGC BGC 0.487805 0.66
16 BGC BGC BGC BGC BGC BGC 0.487805 0.66
17 BGC GLC GLC GLC 0.487805 0.66
18 GLA GAL BGC 0.487805 0.66
19 CT3 0.487805 0.66
20 GLA GAL GLC 0.487805 0.66
21 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.487805 0.66
22 CE6 0.487805 0.66
23 CEY 0.487805 0.66
24 B4G 0.487805 0.66
25 BMA MAN BMA 0.487805 0.66
26 GLC BGC BGC 0.487805 0.66
27 MT7 0.487805 0.66
28 BMA BMA BMA BMA BMA 0.487805 0.66
29 BMA BMA BMA BMA BMA BMA 0.487805 0.66
30 CE5 0.487805 0.66
31 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.487805 0.66
32 GAL GAL GAL 0.487805 0.66
33 CE8 0.487805 0.66
34 MTT 0.487805 0.66
35 BGC GLC GLC GLC GLC GLC GLC 0.487805 0.66
36 BGC BGC BGC BGC 0.487805 0.66
37 BGC GLC GLC GLC GLC 0.487805 0.66
38 BMA BMA BMA 0.487805 0.66
39 GLC BGC GLC 0.487805 0.66
40 GLC BGC BGC BGC BGC BGC 0.487805 0.66
41 GLC GAL GAL 0.487805 0.66
42 CTR 0.487805 0.66
43 CEX 0.487805 0.66
44 DXI 0.487805 0.66
45 GLC GLC GLC GLC GLC 0.487805 0.66
46 BGC BGC BGC BGC BGC BGC BGC BGC 0.47191 0.66
47 BGC BMA 0.439024 0.66
48 CBI 0.439024 0.66
49 LAT 0.439024 0.66
50 GLA GAL 0.439024 0.66
51 CBK 0.439024 0.66
52 MAB 0.439024 0.66
53 N9S 0.439024 0.66
54 MAL 0.439024 0.66
55 GLC GAL 0.439024 0.66
56 B2G 0.439024 0.66
57 GAL BGC 0.439024 0.66
58 LBT 0.439024 0.66
59 BMA GAL 0.439024 0.66
60 GLA GLA 0.439024 0.66
61 BGC GAL 0.439024 0.66
62 GLC GLC GLC BGC 0.43617 0.66
63 XYT 0.433333 0.788462
64 BMA BMA GLA BMA BMA 0.431579 0.66
65 GLA GAL GAL 0.426966 0.66
66 BMA BMA BMA BMA 0.423913 0.627451
67 BGC BGC XYS BGC 0.405941 0.634615
68 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.403846 0.634615
69 BGC BGC BGC XYS BGC BGC 0.403846 0.634615
70 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.403846 0.634615
71 SGA BGC 0.402174 0.818182
Ligand no: 2; Ligand: PLP; Similar ligands found: 62
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 F0G 0.564516 0.865385
12 MPM 0.564516 0.814815
13 FEV 0.555556 0.803571
14 KOU 0.555556 0.836364
15 HCP 0.546875 0.77193
16 EVM 0.546875 0.821429
17 6DF 0.545455 0.811321
18 PXL 0.541667 0.659574
19 Z98 0.537313 0.75
20 PXP 0.537037 0.862745
21 PMP 0.527273 0.767857
22 P0P 0.527273 0.916667
23 PL6 0.522388 0.818182
24 GT1 0.517857 0.830189
25 PFM 0.514706 0.803571
26 FEJ 0.514706 0.851852
27 LLP 0.5 0.737705
28 P70 0.5 0.833333
29 PUS 0.479452 0.707692
30 PL5 0.479452 0.775862
31 MPL 0.473684 0.836364
32 PLG 0.46875 0.75
33 IN5 0.46875 0.758621
34 P89 0.466667 0.714286
35 PLP PUT 0.463768 0.672131
36 EQJ 0.460526 0.725806
37 5DK 0.460526 0.725806
38 O1G 0.454545 0.75
39 PLT 0.439024 0.762712
40 X04 0.431034 0.851852
41 PDD 0.426471 0.762712
42 PP3 0.426471 0.762712
43 PDA 0.426471 0.762712
44 P1T 0.426471 0.714286
45 33P 0.42029 0.745763
46 IK2 0.42029 0.714286
47 TLP 0.414286 0.793103
48 2BK 0.414286 0.793103
49 PLS 0.414286 0.779661
50 2BO 0.414286 0.793103
51 5PA 0.414286 0.714286
52 PMH 0.414286 0.619718
53 9TD 0.413793 0.671642
54 PLP 999 0.410959 0.796296
55 PPD 0.408451 0.75
56 C6P 0.408451 0.75
57 QLP 0.405405 0.681818
58 MP5 0.403509 0.666667
59 PLA 0.402778 0.703125
60 PY5 0.402778 0.703125
61 HEY 0.4 0.703125
62 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 with APoc: 132
This union binding pocket(no: 1) in the query (biounit: 1qm5.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 1L5J TRA 0.879397
2 4QVH MAL 1.17057
3 3SZB I1E 1.27932
4 4IKM MAL 1.27932
5 4KYC MAL 1.42857
6 4U98 ACP 1.54185
7 2R68 SUP 1.60321
8 3K5I AIR 1.73697
9 5NGL NOJ BGC 1.82186
10 3ZUY TCH 1.85759
11 1KWK GAL 1.88442
12 5FJJ MAN 2.01005
13 1SZ0 M6P 2.08333
14 2J4D MHF 2.09524
15 5JOX EDG 2.13178
16 5C9P FUC 2.13568
17 4ISS TAR 2.17391
18 4D52 GXL 2.22222
19 5EVY SAL 2.28311
20 4XSU GLC 2.31959
21 4XSU UDP 2.31959
22 3N8K D1X 2.32558
23 4IFP MAL 2.36052
24 2AJ4 GLA 2.37226
25 5LA1 XYP 2.44399
26 5A1S FLC 2.45536
27 4JWK CTN 2.59067
28 3C4M MAL 2.5974
29 1SO0 GAL 2.61628
30 3H4Z GLC GLC 2.64085
31 6GNF GLC 2.75735
32 6GNF QPS 2.75735
33 3OBT SLB 2.76498
34 5OCQ CIT 2.80702
35 5A96 GTP 2.81124
36 1R6N 434 2.8436
37 2CJ9 SSA 2.87356
38 2YFO GAL 2.91667
39 2YFO GLA 2.91667
40 5JST MAL 2.93454
41 4RQL SNE 2.94118
42 3L6C MLI 2.94985
43 4LAX FK5 2.97398
44 1KJ8 GAR 3.06905
45 3THR C2F 3.07167
46 4KYD MAL 3.09524
47 3GD8 GOL 3.13901
48 3DGB MUC 3.14136
49 5LX9 OLB 3.16901
50 1NSZ GLC 3.17003
51 2IW1 U2F 3.20856
52 3FIU POP 3.21285
53 5EQ8 HSO 3.2491
54 1U0A BGC BGC BGC BGC 3.27103
55 3NB0 G6P 3.31034
56 1V6A TRE 3.31325
57 2AOT 2PM 3.42466
58 2PUL ACP 3.52645
59 2W41 ADP 3.5503
60 4M26 AKG 3.57143
61 3ZZH NLG 3.58306
62 3LN9 FLC 3.59712
63 5J6Y GLC 3.7234
64 5J6Y BGC 3.7234
65 1NSA BEN 3.79747
66 2B99 RDL 3.84615
67 4XFR CIT 3.98126
68 4Z87 GDP 4
69 6EJI UD2 4.02145
70 2J5V PCA 4.08719
71 4PQG NAG 4.10959
72 5LX6 78P 4.18848
73 1QMG DMV 4.58015
74 2J5B TYE 4.5977
75 4XR8 MAL 4.63576
76 3ZGJ RMN 5.12129
77 5HWC FK5 5.21739
78 3B8I OXL 5.22648
79 4V36 LYN 5.37313
80 6BMN PAP 5.42373
81 3P7G MAN 5.47945
82 2ATJ BHO 5.51948
83 5BSZ THM 5.6
84 4YLZ LAT NAG GAL 5.88235
85 1NE7 16G 5.88235
86 4X7R 3YW 6.08519
87 4X7R UDP 6.08519
88 4X7R NTO 6.08519
89 4BCQ TJF 6.10687
90 2QZS ADP 6.18557
91 2QZS GLC 6.18557
92 2QZS 250 6.18557
93 4F97 VDO 6.23742
94 1TH8 ADP 6.89655
95 2B4B B33 7.01754
96 1B4B ARG 7.04225
97 5EO8 TFU 7.07396
98 2C29 DQH 7.12166
99 4UYF 73B 7.14286
100 2WTX UDP 7.173
101 2WTX VDO 7.173
102 1WHT BZS 7.18954
103 3ZO7 K6H 7.44681
104 5JNW 6LJ 7.54717
105 4QBK 3NZ 7.73196
106 2A9G ARG 7.89474
107 5EOO CIT 7.92453
108 5LQ8 GB 8.15603
109 3AQA BYH 8.59375
110 1GXS BEZ 8.86076
111 4CQE CQE 8.99281
112 4DE2 DN3 9.12547
113 4DDY DN6 9.12547
114 3G2Y GF4 9.12547
115 4DE3 DN8 9.12547
116 6BU3 3GK 9.16031
117 5BJZ MAL 9.25926
118 3HEE R5P 9.39597
119 3IX1 NFM 9.60265
120 5NBP BGC BGC BGC 9.92647
121 1J3R 6PG 10
122 5NFB 8VT 10.2273
123 2HJ9 AI2 10.4072
124 2BES RES 10.4651
125 1YTV MAL 11.9048
126 3BY9 SIN 12.3077
127 1NX0 ALA LYS ALA ILE ALA 14.4509
128 1HE1 AF3 14.8148
129 3DER ALA LYS 15.6522
130 5VYQ 0FX 16.4706
131 3AI3 SOL 16.73
132 5HWV MBN 35.3846
Pocket No.: 2; Query (leader) PDB : 1QM5; Ligand: PLP; Similar sites found with APoc: 119
This union binding pocket(no: 2) in the query (biounit: 1qm5.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
1 1L5J TRA 0.879397
2 5X7Q GLC GLC GLC GLC 1.13065
3 4CJN QNZ 1.55763
4 3QTP 2PG 1.5873
5 2R68 SUP 1.60321
6 3TDC 0EU 1.70604
7 3K5I AIR 1.73697
8 6EYT UDP 1.83486
9 3ZUY TCH 1.85759
10 5C9P FUC 2.13568
11 5KOD IAC 2.28758
12 4XSU GLC 2.31959
13 4XSU UDP 2.31959
14 4IA6 EIC 2.36887
15 1FDJ 2FP 2.47934
16 4CSD MFU 2.57353
17 3HLX PQQ 2.71318
18 4B5W PYR 2.73438
19 6GNF GLC 2.75735
20 6GNF QPS 2.75735
21 6GNF ADP 2.75735
22 3OBT SLB 2.76498
23 1MS9 LAT 2.77778
24 2WGH DTP 2.81065
25 2XA2 UPG 2.88462
26 5HR5 ADP 3.01318
27 1KJ8 GAR 3.06905
28 5LX9 OLB 3.16901
29 2IW1 U2F 3.20856
30 3FIU POP 3.21285
31 1U0A BGC BGC BGC BGC 3.27103
32 3NB0 G6P 3.31034
33 2ZI8 SDT 3.33333
34 1TL2 NDG 3.38983
35 1JG0 DDT 3.40909
36 3I9U DTU 3.42205
37 5WC2 ADP 3.47222
38 1XV5 UDP 3.49127
39 3ZZH NLG 3.58306
40 2IBN I1N 3.6
41 5J6Y GLC 3.7234
42 5J6Y BGC 3.7234
43 3BEO UDP 3.73333
44 1K0D GSH 3.84615
45 6EJI UD2 4.02145
46 2J5V PCA 4.08719
47 4PQG NAG 4.10959
48 4PQG UDP 4.10959
49 1K6M AGS 4.16667
50 1QH8 HCA 4.1841
51 1ZED PNP 4.33884
52 3I51 45C 4.44444
53 3EXS 5RP 4.52489
54 4USI AKG 4.54545
55 1RZU ADP 4.74227
56 3H4T UDP 4.9505
57 4C1K PEP 4.96183
58 2IV3 UDP 4.97076
59 1F28 F89 5.05051
60 3B8I OXL 5.22648
61 5ZI9 FLC 5.38462
62 3P7G MAN 5.47945
63 3SE5 ANP 5.4878
64 4YLZ LAT NAG GAL 5.88235
65 1NE7 16G 5.88235
66 4RW3 SHV 6.03015
67 4X7R UDP 6.08519
68 4X7R 3YW 6.08519
69 4X7R NTO 6.08519
70 4BCQ TJF 6.10687
71 2QZS ADP 6.18557
72 2QZS 250 6.18557
73 2QZS GLC 6.18557
74 1WZ1 DNS 6.19469
75 1IZC PYR 6.19469
76 4F97 VDO 6.23742
77 4F97 GDP 6.23742
78 1FUT 2GP 6.60377
79 5I8F ML1 6.66667
80 2YIV YIV 6.70732
81 2OFW ADX 6.73077
82 1TH8 ADP 6.89655
83 4WES HCA 6.92884
84 3LA3 2FT 6.99588
85 2B4B B33 7.01754
86 2C29 DQH 7.12166
87 2WTX UDP 7.173
88 2WTX VDO 7.173
89 5ME4 HP4 7.29927
90 3ZO7 K6H 7.44681
91 5JNW 6LJ 7.54717
92 4QBK 3NZ 7.73196
93 2PEZ DAT 7.82123
94 2A9G ARG 7.89474
95 5MTE BB2 8.0292
96 5LQ8 GB 8.15603
97 3PH4 AOS 8.28402
98 1M7G AV2 8.53081
99 3B6C SDN 8.54701
100 4CQE CQE 8.99281
101 1ZX5 LFR 9
102 3G2Y GF4 9.12547
103 3HEE R5P 9.39597
104 3U7Q HCA 9.56023
105 3MMH SME 9.58084
106 3OKP GDD 9.64467
107 1DTL BEP 9.93789
108 4C2C ALA ALA ALA 10.0897
109 2I5F 5IP 10.0917
110 5NFB 8VT 10.2273
111 3OKA GDD 10.4987
112 1YTV MAL 11.9048
113 1SDW IYT 12.4204
114 2WW4 ADP 15.5477
115 2QIE 8CS 15.5844
116 3DER ALA LYS 15.6522
117 3KPE TM3 15.6863
118 1LNX URI 23.4568
119 1ZEI CRS 33.9623
Pocket No.: 3; Query (leader) PDB : 1QM5; Ligand: PLP; Similar sites found with APoc: 20
This union binding pocket(no: 3) in the query (biounit: 1qm5.bio1) has 44 residues
No: Leader PDB Ligand Sequence Similarity
1 3OO6 GAL 1.92771
2 5O0X FAD 2.06186
3 5ABF XRJ 2.3416
4 1S1D GP2 2.41692
5 1V1A ADP 2.91262
6 5CGE 51F 3.2491
7 5GP0 GPP 3.3557
8 5WS9 OXL 4
9 4XCP PLM 5.29412
10 5EGH PC 5.36131
11 4BGB ADP 5.53846
12 3WCS MAN NAG 6.29921
13 1UBY DMA 6.53951
14 1U6R ADP 6.84211
15 2W14 WR2 9.40594
16 3C3D FO1 10.9325
17 1HE1 AF3 14.8148
18 1TW4 CHD 16
19 3WBG 2AN 18.3007
20 2WUL GSH 25.4237
Pocket No.: 4; Query (leader) PDB : 1QM5; Ligand: GLC GLC GLC PO4 SGC GLC; Similar sites found with APoc: 22
This union binding pocket(no: 4) in the query (biounit: 1qm5.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 2QK4 ATP 1.54867
2 2VOT NHV 1.63317
3 1CZA G6P 1.63317
4 6EYT UDP 1.83486
5 4AZC NGW 3.16742
6 4X7Q 3YR 3.20513
7 4UOZ GLA 3.59712
8 4PBG BGP 3.63248
9 1E2S CSN 3.68098
10 1US5 GLU 4.14013
11 1RZU ADP 4.74227
12 3P2H MTA 4.97512
13 2QS8 MET 5.02392
14 3PN1 IVH 5.03145
15 2FV1 GAD NDG 5.30504
16 4BGB ADP 5.53846
17 1Q6O LG6 6.01852
18 5E65 5N6 GAL 6.62651
19 1U6R ADP 6.84211
20 5E62 Z3Q GAL 5N6 7.38255
21 4U5I BXP 8.43672
22 4WG0 CHD 46.6667
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