Receptor
PDB id Resolution Class Description Source Keywords
3MQG 1.43 Å EC: 2.3.1.- CRYSTAL STRUCTURE OF THE 3-N-ACETYL TRANSFERASE WLBB FROM BO PETRII IN COMPLEX WITH ACETYL-COA BORDETELLA PETRII BETA HELIX ACETYL TRANSFERASE BIOSYNTHESIS TRANSFERASE
Ref.: MOLECULAR STRUCTURE OF WLBB, A BACTERIAL N-ACETYLTRANSFERASE INVOLVED IN THE BIOSYNTHESIS OF 2,3-DIACETAMIDO-2,3-DIDEOXY-D-MANNURONIC ACID . BIOCHEMISTRY V. 49 4644 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACO A:191;
B:191;
C:191;
D:191;
E:191;
F:191;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
809.571 C23 H38 N7 O17 P3 S CC(=O...
EDO B:194;
C:194;
D:194;
D:196;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
NA A:193;
D:193;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
PE4 C:193;
Invalid;
none;
submit data
354.436 C16 H34 O8 CCOCC...
PO4 B:193;
D:195;
Invalid;
Invalid;
none;
none;
submit data
94.971 O4 P [O-]P...
U5P A:192;
D:192;
E:192;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
324.181 C9 H13 N2 O9 P C1=CN...
UDP B:192;
C:192;
Valid;
Valid;
none;
none;
submit data
404.161 C9 H14 N2 O12 P2 C1=CN...
UDP UDP F:192;
Valid;
none;
submit data
401.137 n/a [P+](...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3MQG 1.43 Å EC: 2.3.1.- CRYSTAL STRUCTURE OF THE 3-N-ACETYL TRANSFERASE WLBB FROM BO PETRII IN COMPLEX WITH ACETYL-COA BORDETELLA PETRII BETA HELIX ACETYL TRANSFERASE BIOSYNTHESIS TRANSFERASE
Ref.: MOLECULAR STRUCTURE OF WLBB, A BACTERIAL N-ACETYLTRANSFERASE INVOLVED IN THE BIOSYNTHESIS OF 2,3-DIACETAMIDO-2,3-DIDEOXY-D-MANNURONIC ACID . BIOCHEMISTRY V. 49 4644 2010
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 3MQH - MJZ C17 H26 N4 O17 P2 CC(=O)N[C@....
2 3MQG - U5P C9 H13 N2 O9 P C1=CN(C(=O....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 3MQH - MJZ C17 H26 N4 O17 P2 CC(=O)N[C@....
2 3MQG - U5P C9 H13 N2 O9 P C1=CN(C(=O....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 24 families.
1 3MQH - MJZ C17 H26 N4 O17 P2 CC(=O)N[C@....
2 3MQG - U5P C9 H13 N2 O9 P C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ACO; Similar ligands found: 170
No: Ligand ECFP6 Tc MDL keys Tc
1 ACO 1 1
2 3KK 0.9 0.988636
3 COS 0.898305 0.944444
4 CAO 0.898305 0.934066
5 2MC 0.893443 0.945652
6 OXK 0.892562 0.966292
7 MC4 0.887097 0.935484
8 1VU 0.885246 0.977528
9 CO6 0.885246 0.988636
10 CAA 0.879032 0.977273
11 SOP 0.877049 0.966292
12 IVC 0.870968 0.977273
13 1HE 0.870968 0.966667
14 MLC 0.870968 0.966292
15 BCO 0.870968 0.966292
16 3HC 0.870968 0.977273
17 FYN 0.868852 0.965909
18 COO 0.864 0.966292
19 MCA 0.864 0.977528
20 COK 0.861789 0.944444
21 0T1 0.857143 0.94382
22 SCA 0.857143 0.966292
23 COA 0.857143 0.965909
24 DCA 0.855932 0.94382
25 CMC 0.854839 0.944444
26 30N 0.85124 0.885417
27 HGG 0.850394 0.966292
28 IRC 0.850394 0.977273
29 BYC 0.850394 0.966292
30 COW 0.850394 0.955556
31 1GZ 0.850394 0.955556
32 BCA 0.84375 0.955556
33 FAQ 0.84375 0.966292
34 2CP 0.84252 0.955556
35 A1S 0.84127 0.966292
36 ETB 0.840336 0.932584
37 GRA 0.837209 0.966292
38 HXC 0.837209 0.988764
39 AMX 0.836066 0.954545
40 TGC 0.830769 0.955556
41 SCO 0.829268 0.94382
42 CMX 0.829268 0.94382
43 1CZ 0.824427 0.955556
44 CO8 0.824427 0.988764
45 2NE 0.824427 0.945055
46 FAM 0.822581 0.923077
47 FCX 0.822581 0.913043
48 2KQ 0.821705 0.988764
49 COF 0.821705 0.923913
50 3CP 0.821705 0.944444
51 UCC 0.818182 0.988764
52 ST9 0.818182 0.988764
53 DCC 0.818182 0.988764
54 MFK 0.818182 0.988764
55 5F9 0.818182 0.988764
56 MYA 0.818182 0.988764
57 HAX 0.816 0.923077
58 4CA 0.815385 0.934066
59 WCA 0.80597 0.945055
60 CS8 0.80597 0.977778
61 SCD 0.804688 0.94382
62 CA6 0.80315 0.896907
63 MCD 0.80315 0.966292
64 4KX 0.8 0.934783
65 HDC 0.8 0.988764
66 CIC 0.796992 0.944444
67 NMX 0.796875 0.875
68 MRS 0.794118 0.988764
69 MRR 0.794118 0.988764
70 4CO 0.791045 0.934066
71 0FQ 0.791045 0.944444
72 CAJ 0.790698 0.944444
73 YNC 0.788321 0.955556
74 DAK 0.788321 0.934783
75 01A 0.785185 0.904255
76 0ET 0.785185 0.966667
77 8Z2 0.782609 0.977778
78 HFQ 0.781022 0.923913
79 1CV 0.779412 0.966292
80 YE1 0.778626 0.933333
81 NHM 0.773723 0.966667
82 NHW 0.773723 0.966667
83 UOQ 0.773723 0.966667
84 CA8 0.766917 0.877551
85 1HA 0.760563 0.945055
86 NHQ 0.746479 0.955056
87 S0N 0.744526 0.923077
88 CCQ 0.744526 0.945652
89 01K 0.743056 0.966292
90 COT 0.737931 0.944444
91 CA3 0.727891 0.944444
92 UCA 0.721854 0.988764
93 CO7 0.713235 0.966292
94 CA5 0.703947 0.904255
95 93P 0.699346 0.934066
96 COD 0.692913 0.954545
97 93M 0.666667 0.934066
98 4BN 0.656627 0.946237
99 5TW 0.656627 0.946237
100 OXT 0.634731 0.946237
101 HMG 0.62585 0.933333
102 PLM COA 0.61745 0.955556
103 COA MYR 0.61745 0.955556
104 COA PLM 0.61745 0.955556
105 JBT 0.609195 0.926316
106 BSJ 0.594118 0.913979
107 PAP 0.577586 0.784091
108 PPS 0.53719 0.729167
109 191 0.532895 0.877551
110 RFC 0.53125 0.966667
111 SFC 0.53125 0.966667
112 A3P 0.525862 0.772727
113 ACE SER ASP ALY THR NH2 COA 0.505435 0.923077
114 0WD 0.503497 0.763441
115 PTJ 0.462687 0.842697
116 3AM 0.461538 0.761364
117 3OD 0.451852 0.797753
118 A22 0.450382 0.786517
119 PUA 0.447368 0.793478
120 A2D 0.446281 0.775281
121 PAJ 0.443609 0.853933
122 ATR 0.440945 0.772727
123 AGS 0.440945 0.8
124 SAP 0.440945 0.8
125 OAD 0.437037 0.797753
126 ADP 0.435484 0.795455
127 A2R 0.431818 0.786517
128 BA3 0.427419 0.775281
129 NA7 0.426471 0.829545
130 ATP 0.425197 0.795455
131 AP5 0.424 0.775281
132 B4P 0.424 0.775281
133 ADQ 0.422222 0.777778
134 5FA 0.421875 0.795455
135 AR6 0.421875 0.775281
136 APR 0.421875 0.775281
137 AQP 0.421875 0.795455
138 2A5 0.421875 0.818182
139 48N 0.42069 0.802198
140 AN2 0.420635 0.786517
141 FYA 0.42029 0.786517
142 M33 0.417323 0.786517
143 SRP 0.413534 0.808989
144 ANP 0.412214 0.777778
145 YLB 0.412162 0.877778
146 FA5 0.411348 0.788889
147 YLP 0.410959 0.877778
148 ME8 0.410072 0.835165
149 APU 0.409396 0.76087
150 5AL 0.409091 0.786517
151 7D3 0.408 0.766667
152 NJP 0.407895 0.78022
153 AD9 0.407692 0.777778
154 25L 0.407143 0.786517
155 7D4 0.40625 0.766667
156 CA0 0.40625 0.777778
157 ATF 0.406015 0.769231
158 A A A 0.405797 0.786517
159 A2P 0.404762 0.761364
160 8QN 0.404412 0.786517
161 LAQ 0.40411 0.815217
162 NDP 0.403974 0.763441
163 ACP 0.403101 0.797753
164 ACQ 0.401515 0.797753
165 YAP 0.401408 0.78022
166 ATP A A A 0.401408 0.744444
167 1ZZ 0.4 0.855556
168 PAX 0.4 0.768421
169 TXA 0.4 0.788889
170 NB8 0.4 0.782609
Ligand no: 2; Ligand: U5P; Similar ligands found: 120
No: Ligand ECFP6 Tc MDL keys Tc
1 U5P 1 1
2 44P 0.790323 0.941176
3 UDP 0.78125 0.984615
4 UTP 0.746269 0.984615
5 2KH 0.735294 0.955224
6 UDP UDP 0.727273 0.953846
7 UPU 0.694444 0.954545
8 UNP 0.690141 0.955224
9 URM 0.662338 0.913043
10 660 0.662338 0.913043
11 URI 0.661017 0.848485
12 U 0.661017 0.848485
13 UFM 0.641026 0.926471
14 GDU 0.641026 0.926471
15 UPG 0.641026 0.926471
16 GUD 0.641026 0.926471
17 U2F 0.6375 0.875
18 UPF 0.6375 0.875
19 Y6W 0.632911 0.875
20 UDH 0.628205 0.851351
21 UPP 0.628205 0.926471
22 UFG 0.617284 0.875
23 CJB 0.603175 0.80597
24 UDX 0.597561 0.926471
25 UAD 0.597561 0.926471
26 UDP GAL 0.597561 0.898551
27 3UC 0.588235 0.875
28 U U 0.585366 0.969697
29 UGB 0.583333 0.940298
30 USQ 0.583333 0.807692
31 UGA 0.583333 0.940298
32 5FU 0.57971 0.927536
33 G3N 0.576471 0.9
34 U3P 0.573529 0.953846
35 UA3 0.573529 0.953846
36 C 0.571429 0.941176
37 CH 0.571429 0.926471
38 CAR 0.571429 0.941176
39 C5P 0.571429 0.941176
40 UDM 0.568182 0.9
41 5BU 0.56338 0.927536
42 U4S 0.557143 0.763889
43 UD1 0.555556 0.913043
44 UD2 0.555556 0.913043
45 CSQ 0.550562 0.863014
46 CSV 0.550562 0.863014
47 U3S 0.541667 0.763889
48 U2S 0.541667 0.777778
49 CNU 0.540541 0.941176
50 S5P 0.535211 0.901408
51 16B 0.534247 0.901408
52 U2P 0.528571 0.939394
53 DU 0.527778 0.911765
54 UMP 0.527778 0.911765
55 HP7 0.526882 0.926471
56 UD7 0.526882 0.913043
57 MJZ 0.521277 0.9
58 UP6 0.521127 0.884058
59 UD4 0.515789 0.9
60 HWU 0.515789 0.887324
61 12V 0.515789 0.887324
62 BMP 0.513889 0.955224
63 UP5 0.510204 0.84
64 DKX 0.507246 0.732394
65 U6M 0.506849 0.969697
66 NUP 0.506849 0.927536
67 IUG 0.505155 0.797468
68 EPZ 0.5 0.9
69 U1S 0.5 0.76
70 JW5 0.5 0.955224
71 4TC 0.5 0.818182
72 EPU 0.49505 0.887324
73 A U 0.49505 0.815789
74 EEB 0.49505 0.887324
75 UDZ 0.494949 0.84
76 H2U 0.486111 0.911765
77 6AU 0.480519 0.969697
78 OMP 0.480519 0.969697
79 6CN 0.480519 0.941176
80 TKW 0.48 0.927536
81 UMF 0.479452 0.869565
82 UUA 0.477612 0.757576
83 U U U U 0.476744 0.954545
84 BMQ 0.472222 0.939394
85 PUP 0.47191 0.926471
86 5HM 0.467532 0.888889
87 O7E 0.463415 0.941176
88 ICR 0.460526 0.830986
89 UMA 0.458716 0.9
90 O7M 0.45679 0.941176
91 UC5 0.455696 0.885714
92 UTP U U U 0.454545 0.909091
93 CDP 0.45 0.927536
94 2TU 0.449275 0.760563
95 FNU 0.441558 0.876712
96 2QR 0.439655 0.810127
97 N3E 0.4375 0.743243
98 DUD 0.4375 0.898551
99 2OM 0.435897 0.925373
100 U22 0.434783 0.777778
101 U21 0.434783 0.797468
102 U20 0.434783 0.797468
103 DUT 0.433735 0.898551
104 CTP 0.433735 0.927536
105 8OP 0.428571 0.849315
106 8GM 0.421687 0.853333
107 5GW 0.420455 0.927536
108 U A A U 0.418803 0.853333
109 4RA 0.414634 0.842105
110 DUP 0.411765 0.873239
111 DUN 0.409639 0.873239
112 CDP MG 0.409639 0.861111
113 UD0 0.408 0.831169
114 UVC 0.407895 0.842857
115 UM3 0.407895 0.897059
116 C5G 0.404255 0.875
117 UPA 0.401869 0.828947
118 A U C C 0.401639 0.794872
119 A G U 0.4 0.7875
120 UAG 0.4 0.851351
Ligand no: 3; Ligand: UDP; Similar ligands found: 116
No: Ligand ECFP6 Tc MDL keys Tc
1 UDP 1 1
2 UTP 0.892308 1
3 UNP 0.8 0.970149
4 U5P 0.78125 0.984615
5 UPU 0.72973 0.940298
6 2KH 0.722222 0.970149
7 44P 0.720588 0.955882
8 URM 0.717949 0.927536
9 GUD 0.717949 0.941176
10 GDU 0.717949 0.941176
11 UFM 0.717949 0.941176
12 UPG 0.717949 0.941176
13 660 0.717949 0.927536
14 UDP UDP 0.714286 0.939394
15 UDH 0.705128 0.864865
16 UPP 0.705128 0.941176
17 UPF 0.691358 0.888889
18 U2F 0.691358 0.888889
19 UFG 0.691358 0.888889
20 UDX 0.670732 0.941176
21 UAD 0.670732 0.941176
22 3UC 0.658824 0.888889
23 USQ 0.654762 0.820513
24 UGB 0.654762 0.955224
25 UGA 0.654762 0.955224
26 G3N 0.647059 0.914286
27 UDM 0.636364 0.914286
28 URI 0.625 0.863636
29 U 0.625 0.863636
30 UD1 0.622222 0.927536
31 UD2 0.622222 0.927536
32 UDP GAL 0.611765 0.913043
33 Y6W 0.607143 0.888889
34 CDP 0.605263 0.942029
35 UD7 0.591398 0.927536
36 HP7 0.591398 0.941176
37 MJZ 0.585106 0.914286
38 IUG 0.583333 0.810127
39 12V 0.578947 0.901408
40 HWU 0.578947 0.901408
41 UD4 0.578947 0.914286
42 CJB 0.573529 0.820895
43 UDZ 0.571429 0.853333
44 DUD 0.571429 0.913043
45 UP5 0.571429 0.853333
46 U U 0.563218 0.955224
47 EPZ 0.56 0.914286
48 5GW 0.559524 0.942029
49 EPU 0.554455 0.901408
50 EEB 0.554455 0.901408
51 UA3 0.547945 0.939394
52 U3P 0.547945 0.939394
53 CH 0.546667 0.913043
54 4TC 0.544554 0.831169
55 CTP 0.54321 0.942029
56 CSV 0.531915 0.851351
57 CSQ 0.531915 0.851351
58 DUT 0.52439 0.913043
59 4GW 0.516484 0.915493
60 UMA 0.513761 0.914286
61 U4S 0.513158 0.753425
62 U2P 0.506667 0.954545
63 U2S 0.5 0.767123
64 U3S 0.5 0.753425
65 PUP 0.48913 0.913043
66 U22 0.486957 0.790123
67 U21 0.486957 0.810127
68 U20 0.486957 0.810127
69 DKX 0.486486 0.746479
70 U1S 0.482759 0.75
71 A U 0.481132 0.805195
72 2QR 0.478632 0.822785
73 5FU 0.474359 0.914286
74 8OD 0.47191 0.851351
75 C5G 0.468085 0.888889
76 7XL 0.465909 0.888889
77 U U U U 0.461538 0.940298
78 UMF 0.461538 0.857143
79 G8D 0.460674 0.855263
80 UTP U U U 0.456522 0.895522
81 2TU 0.452055 0.774648
82 4RA 0.451613 0.855263
83 C2G 0.450549 0.901408
84 DU 0.45 0.898551
85 CAR 0.45 0.927536
86 C 0.45 0.927536
87 C5P 0.45 0.927536
88 UMP 0.45 0.898551
89 UAG 0.448 0.864865
90 CDC 0.446809 0.777778
91 UD0 0.444444 0.844156
92 5BU 0.444444 0.914286
93 N3E 0.440476 0.733333
94 UC5 0.440476 0.9
95 UUA 0.438356 0.772727
96 DUP 0.431818 0.887324
97 2GW 0.431373 0.901408
98 M7G 0.430108 0.780488
99 CNU 0.428571 0.927536
100 CDM 0.427083 0.842105
101 H6Y 0.425532 0.851351
102 16B 0.421687 0.888889
103 S5P 0.419753 0.915493
104 8GT 0.419355 0.855263
105 CXY 0.418367 0.888889
106 UPA 0.418182 0.842105
107 CDP MG 0.413793 0.849315
108 U2G 0.410714 0.822785
109 U A A U 0.409836 0.842105
110 UML 0.408759 0.810127
111 UP6 0.407407 0.871429
112 M7M 0.40625 0.771084
113 PMP UD1 0.404762 0.794872
114 1GW 0.40367 0.864865
115 BMP 0.402439 0.970149
116 APU 0.401786 0.828947
Ligand no: 4; Ligand: UDP UDP; Similar ligands found: 90
No: Ligand ECFP6 Tc MDL keys Tc
1 UDP UDP 1 1
2 U5P 0.727273 0.953846
3 UDP 0.714286 0.939394
4 44P 0.695652 0.898551
5 UDP GAL 0.691358 0.940298
6 UTP 0.662162 0.939394
7 2KH 0.653333 0.911765
8 U U 0.638554 0.954545
9 UNP 0.636364 0.911765
10 UPU 0.6 0.939394
11 CDP MG 0.597403 0.9
12 UDH 0.583333 0.837838
13 UPP 0.583333 0.911765
14 GDU 0.576471 0.911765
15 UTP U U U 0.576471 0.953125
16 660 0.576471 0.898551
17 URM 0.576471 0.898551
18 UPG 0.576471 0.911765
19 GUD 0.576471 0.911765
20 UFM 0.576471 0.911765
21 U 0.575758 0.861538
22 URI 0.575758 0.861538
23 UDX 0.574713 0.911765
24 UAD 0.574713 0.911765
25 CH 0.567568 0.940298
26 UPF 0.556818 0.861111
27 UFG 0.556818 0.861111
28 U2F 0.556818 0.861111
29 Y6W 0.551724 0.861111
30 UGB 0.544444 0.925373
31 USQ 0.544444 0.794872
32 UGA 0.544444 0.925373
33 G3N 0.538462 0.885714
34 3UC 0.532609 0.861111
35 CJB 0.528571 0.818182
36 UD7 0.525773 0.898551
37 A U 0.524272 0.851351
38 UDM 0.515789 0.885714
39 HWU 0.515152 0.873239
40 12V 0.515152 0.873239
41 U U U U 0.511364 0.939394
42 UD1 0.505155 0.898551
43 UD2 0.505155 0.898551
44 CSQ 0.5 0.849315
45 U2S 0.5 0.788732
46 CSV 0.5 0.849315
47 HP7 0.494949 0.911765
48 DUT MG 0.494118 0.871429
49 U4S 0.493506 0.774648
50 IUG 0.490196 0.807692
51 MJZ 0.49 0.885714
52 UA3 0.486842 0.909091
53 U3P 0.486842 0.909091
54 UD4 0.485149 0.885714
55 U3S 0.481013 0.774648
56 UDZ 0.480769 0.851351
57 4TC 0.471698 0.805195
58 UP5 0.466667 0.826667
59 U1S 0.465909 0.77027
60 PMP UD1 0.46281 0.84
61 EPZ 0.457944 0.885714
62 EPU 0.453704 0.873239
63 EEB 0.453704 0.873239
64 U2P 0.448718 0.895522
65 DKX 0.447368 0.742857
66 U A A U 0.445378 0.84
67 UUA 0.438356 0.769231
68 A U C C 0.427419 0.828947
69 A G U 0.425197 0.797468
70 N3E 0.423529 0.753425
71 UMA 0.422414 0.885714
72 5FU 0.419753 0.885714
73 CDP 0.418605 0.885714
74 C C 0.414894 0.926471
75 C 0.414634 0.898551
76 C5P 0.414634 0.898551
77 CAR 0.414634 0.898551
78 PUP 0.412371 0.884058
79 5BU 0.409639 0.885714
80 OMC OMU OMG OMG U 0.407692 0.777778
81 UMF 0.407407 0.828571
82 UC5 0.406977 0.84507
83 DUD 0.406977 0.857143
84 UMP AF3 PO4 0.406593 0.835616
85 PCD PEO 0.403226 0.732558
86 UAG API 0.402878 0.84
87 CDC 0.402062 0.797468
88 U22 0.401639 0.765432
89 U20 0.401639 0.78481
90 U21 0.401639 0.78481
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3MQG; Ligand: ACO; 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: 3mqg.bio2) has 41 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3MQG; Ligand: UDP UDP; Similar sites found: 10
This union binding pocket(no: 2) in the query (biounit: 3mqg.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4M0R 644 0.02489 0.4 4.16667
2 4Z3X MTE 0.03572 0.40342 8.93855
3 1KGQ NPI 0.002405 0.45086 9.89583
4 1KGQ SCO 0.002514 0.45086 9.89583
5 2QIA U20 0.004897 0.42434 18.75
6 1KRR ACO 0.004546 0.41806 31.7708
7 3VBK 0FX 0.001996 0.45276 33.3333
8 3VBK COA 0.002213 0.44771 33.3333
9 3FS8 ACO 0.009313 0.42419 38.0208
10 3FS8 TDR 0.009486 0.42214 38.0208
Pocket No.: 3; Query (leader) PDB : 3MQG; Ligand: U5P; Similar sites found: 8
This union binding pocket(no: 3) in the query (biounit: 3mqg.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4Z3X MTE 0.02247 0.41319 8.93855
2 4Z3X 4KX 0.02385 0.41319 8.93855
3 1KGQ NPI 0.02381 0.40419 9.89583
4 3VBK 0FX 0.0005871 0.47744 33.3333
5 3VBK COA 0.002336 0.44663 33.3333
6 3FS8 ACO 0.01011 0.42252 38.0208
7 3FS8 TDR 0.00931 0.42252 38.0208
8 3I3X U22 0.004095 0.42413 38.5417
Pocket No.: 4; Query (leader) PDB : 3MQG; Ligand: ACO; 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: 3mqg.bio2) has 41 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3MQG; Ligand: U5P; 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: 3mqg.bio2) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3MQG; Ligand: ACO; Similar sites found: 11
This union binding pocket(no: 6) in the query (biounit: 3mqg.bio2) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1W9W BGC BGC BGC GLC BGC BGC 0.03613 0.41969 2.11268
2 1ZN7 HSX 0.02341 0.42049 5.55556
3 3W68 4PT 0.01885 0.41463 6.25
4 1TMX BEZ 0.04815 0.40733 6.77083
5 4WOE 3S5 0.0382 0.42484 7.29167
6 1W6P NDG GAL 0.03958 0.40486 10.4478
7 1KRR ACO 0.00000003635 0.494 31.7708
8 3VBK 0FX 0.000001417 0.50365 33.3333
9 3VBK COA 0.000001071 0.5019 33.3333
10 3FS8 ACO 0.00001897 0.46951 38.0208
11 3FS8 TDR 0.00001705 0.46873 38.0208
Pocket No.: 7; Query (leader) PDB : 3MQG; Ligand: UDP; Similar sites found: 8
This union binding pocket(no: 7) in the query (biounit: 3mqg.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4Z3X 4KX 0.02844 0.40686 8.93855
2 4Z3X MTE 0.0294 0.40617 8.93855
3 2QIA U20 0.002008 0.43817 18.75
4 1KRR ACO 0.005047 0.4128 31.7708
5 3VBK 0FX 0.0001204 0.50471 33.3333
6 3VBK COA 0.0001064 0.50367 33.3333
7 3FS8 ACO 0.01239 0.41544 38.0208
8 3FS8 TDR 0.01141 0.41544 38.0208
Pocket No.: 8; Query (leader) PDB : 3MQG; Ligand: ACO; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 3mqg.bio1) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 3MQG; Ligand: ACO; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 3mqg.bio1) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 3MQG; Ligand: ACO; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 3mqg.bio1) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 3MQG; Ligand: U5P; Similar sites found: 1
This union binding pocket(no: 11) in the query (biounit: 3mqg.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2QIA U20 0.01435 0.40326 18.75
Pocket No.: 12; Query (leader) PDB : 3MQG; Ligand: UDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 3mqg.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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