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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(=O)...
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 33 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 30 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 29 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: 178
No: Ligand ECFP6 Tc MDL keys Tc
1 ACO 1 1
2 3KK 0.9 0.988636
3 CAO 0.898305 0.934066
4 COS 0.898305 0.944444
5 2MC 0.893443 0.945652
6 OXK 0.892562 0.966292
7 MC4 0.887097 0.935484
8 CO6 0.885246 0.988636
9 1VU 0.885246 0.977528
10 CAA 0.879032 0.977273
11 SOP 0.877049 0.966292
12 MLC 0.870968 0.966292
13 BCO 0.870968 0.966292
14 1HE 0.870968 0.966667
15 3HC 0.870968 0.977273
16 IVC 0.870968 0.977273
17 FYN 0.868852 0.965909
18 MCA 0.864 0.977528
19 COO 0.864 0.966292
20 COK 0.861789 0.944444
21 COA 0.857143 0.965909
22 SCA 0.857143 0.966292
23 0T1 0.857143 0.94382
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 BYC 0.850394 0.966292
29 COW 0.850394 0.955556
30 IRC 0.850394 0.977273
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 2NE 0.824427 0.945055
44 1CZ 0.824427 0.955556
45 CO8 0.824427 0.988764
46 FAM 0.822581 0.923077
47 FCX 0.822581 0.913043
48 COF 0.821705 0.923913
49 3CP 0.821705 0.944444
50 2KQ 0.821705 0.988764
51 MYA 0.818182 0.988764
52 ST9 0.818182 0.988764
53 UCC 0.818182 0.988764
54 DCC 0.818182 0.988764
55 MFK 0.818182 0.988764
56 5F9 0.818182 0.988764
57 HAX 0.816 0.923077
58 4CA 0.815385 0.934066
59 7L1 0.814516 1
60 WCA 0.80597 0.945055
61 CS8 0.80597 0.977778
62 SCD 0.804688 0.94382
63 MCD 0.80315 0.966292
64 CA6 0.80315 0.896907
65 HDC 0.8 0.988764
66 4KX 0.8 0.934783
67 CIC 0.796992 0.944444
68 NMX 0.796875 0.875
69 MRR 0.794118 0.988764
70 MRS 0.794118 0.988764
71 4CO 0.791045 0.934066
72 0FQ 0.791045 0.944444
73 CAJ 0.790698 0.944444
74 YNC 0.788321 0.955556
75 DAK 0.788321 0.934783
76 0ET 0.785185 0.966667
77 01A 0.785185 0.904255
78 8Z2 0.782609 0.977778
79 HFQ 0.781022 0.923913
80 1CV 0.779412 0.966292
81 YE1 0.778626 0.933333
82 NHM 0.773723 0.966667
83 UOQ 0.773723 0.966667
84 NHW 0.773723 0.966667
85 CA8 0.766917 0.877551
86 F8G 0.762238 0.946237
87 1HA 0.760563 0.945055
88 NHQ 0.746479 0.955056
89 S0N 0.744526 0.923077
90 CCQ 0.744526 0.945652
91 01K 0.743056 0.966292
92 COT 0.737931 0.944444
93 CA3 0.727891 0.944444
94 UCA 0.721854 0.988764
95 CO7 0.713235 0.966292
96 CA5 0.703947 0.904255
97 93P 0.699346 0.934066
98 COD 0.692913 0.954545
99 93M 0.666667 0.934066
100 4BN 0.656627 0.946237
101 5TW 0.656627 0.946237
102 OXT 0.634731 0.946237
103 HMG 0.62585 0.933333
104 PLM COA 0.61745 0.955556
105 COA PLM 0.61745 0.955556
106 JBT 0.609195 0.926316
107 BSJ 0.594118 0.913979
108 PAP 0.577586 0.784091
109 ASP ASP ASP ILE CMC NH2 0.557576 0.902174
110 PPS 0.53719 0.729167
111 191 0.532895 0.877551
112 RFC 0.53125 0.966667
113 SFC 0.53125 0.966667
114 A3P 0.525862 0.772727
115 ACE SER ASP ALY THR NH2 COA 0.511111 0.923077
116 0WD 0.503497 0.763441
117 PTJ 0.462687 0.842697
118 3AM 0.461538 0.761364
119 3OD 0.451852 0.797753
120 A22 0.450382 0.786517
121 PUA 0.447368 0.793478
122 A2D 0.446281 0.775281
123 PAJ 0.443609 0.853933
124 SAP 0.440945 0.8
125 ATR 0.440945 0.772727
126 AGS 0.440945 0.8
127 OAD 0.437037 0.797753
128 ADP 0.435484 0.795455
129 A2R 0.431818 0.786517
130 BA3 0.427419 0.775281
131 NA7 0.426471 0.829545
132 9X8 0.426471 0.8
133 HEJ 0.425197 0.795455
134 ATP 0.425197 0.795455
135 B4P 0.424 0.775281
136 AP5 0.424 0.775281
137 ADQ 0.422222 0.777778
138 AQP 0.421875 0.795455
139 AR6 0.421875 0.775281
140 5FA 0.421875 0.795455
141 2A5 0.421875 0.818182
142 APR 0.421875 0.775281
143 48N 0.42069 0.802198
144 AN2 0.420635 0.786517
145 FYA 0.42029 0.786517
146 M33 0.417323 0.786517
147 SRP 0.413534 0.808989
148 ANP 0.412214 0.777778
149 YLB 0.412162 0.877778
150 FA5 0.411348 0.788889
151 YLP 0.410959 0.877778
152 ME8 0.410072 0.835165
153 AT4 0.409449 0.808989
154 APU 0.409396 0.76087
155 5AL 0.409091 0.786517
156 7D3 0.408 0.766667
157 F2R 0.407895 0.836957
158 NJP 0.407895 0.78022
159 AD9 0.407692 0.777778
160 25L 0.407143 0.786517
161 7D4 0.40625 0.766667
162 CA0 0.40625 0.777778
163 ATF 0.406015 0.769231
164 A A A 0.405797 0.786517
165 A2P 0.404762 0.761364
166 9ZA 0.404412 0.791209
167 8QN 0.404412 0.786517
168 9ZD 0.404412 0.791209
169 LAQ 0.40411 0.815217
170 NDP 0.403974 0.763441
171 ACP 0.403101 0.797753
172 ACQ 0.401515 0.797753
173 YAP 0.401408 0.78022
174 ATP A A A 0.401408 0.744444
175 TXA 0.4 0.788889
176 NB8 0.4 0.782609
177 PAX 0.4 0.768421
178 1ZZ 0.4 0.855556
Ligand no: 2; Ligand: U5P; Similar ligands found: 121
No: Ligand ECFP6 Tc MDL keys Tc
1 U 1 1
2 U5P 1 1
3 44P 0.790323 0.941176
4 UDP 0.78125 0.984615
5 UTP 0.746269 0.984615
6 2KH 0.735294 0.955224
7 UDP UDP 0.727273 0.953846
8 UPU 0.694444 0.954545
9 UNP 0.690141 0.955224
10 660 0.662338 0.913043
11 URM 0.662338 0.913043
12 URI 0.661017 0.848485
13 GUD 0.641026 0.926471
14 UFM 0.641026 0.926471
15 UPG 0.641026 0.926471
16 GDU 0.641026 0.926471
17 UPF 0.6375 0.875
18 U2F 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 3UC 0.588235 0.875
27 U U 0.585366 0.969697
28 UGB 0.583333 0.940298
29 USQ 0.583333 0.807692
30 UGA 0.583333 0.940298
31 5FU 0.57971 0.927536
32 G3N 0.576471 0.9
33 UA3 0.573529 0.953846
34 U3P 0.573529 0.953846
35 CAR 0.571429 0.941176
36 C 0.571429 0.941176
37 C5P 0.571429 0.941176
38 UDM 0.568182 0.9
39 5BU 0.56338 0.927536
40 U4S 0.557143 0.763889
41 UD1 0.555556 0.913043
42 UD2 0.555556 0.913043
43 CSQ 0.550562 0.863014
44 CSV 0.550562 0.863014
45 U2S 0.541667 0.777778
46 U3S 0.541667 0.763889
47 CNU 0.540541 0.941176
48 S5P 0.535211 0.901408
49 16B 0.534247 0.901408
50 U2P 0.528571 0.939394
51 DU 0.527778 0.911765
52 UMP 0.527778 0.911765
53 HP7 0.526882 0.926471
54 UD7 0.526882 0.913043
55 MJZ 0.521277 0.9
56 UP6 0.521127 0.884058
57 12V 0.515789 0.887324
58 F5G 0.515789 0.913043
59 UD4 0.515789 0.9
60 HWU 0.515789 0.887324
61 F5P 0.515789 0.9
62 BMP 0.513889 0.955224
63 UP5 0.510204 0.84
64 DKX 0.507246 0.732394
65 NUP 0.506849 0.927536
66 U6M 0.506849 0.969697
67 IUG 0.505155 0.797468
68 EPZ 0.5 0.9
69 U1S 0.5 0.76
70 4TC 0.5 0.818182
71 JW5 0.5 0.955224
72 EEB 0.49505 0.887324
73 A U 0.49505 0.815789
74 EPU 0.49505 0.887324
75 UDZ 0.494949 0.84
76 H2U 0.486111 0.911765
77 OMP 0.480519 0.969697
78 6AU 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 G U 0.471154 0.797468
87 5HM 0.467532 0.888889
88 O7E 0.463415 0.941176
89 ICR 0.460526 0.830986
90 UMA 0.458716 0.9
91 O7M 0.45679 0.941176
92 UC5 0.455696 0.885714
93 UTP U U U 0.454545 0.909091
94 CDP 0.45 0.927536
95 2TU 0.449275 0.760563
96 FNU 0.441558 0.876712
97 2QR 0.439655 0.810127
98 DUD 0.4375 0.898551
99 N3E 0.4375 0.743243
100 2OM 0.435897 0.925373
101 U21 0.434783 0.797468
102 U20 0.434783 0.797468
103 U22 0.434783 0.777778
104 DUT 0.433735 0.898551
105 HF4 0.433735 0.927536
106 CTP 0.433735 0.927536
107 8OP 0.428571 0.849315
108 8GM 0.421687 0.853333
109 5GW 0.420455 0.927536
110 U A A U 0.418803 0.853333
111 4RA 0.414634 0.842105
112 DUP 0.411765 0.873239
113 DUN 0.409639 0.873239
114 UD0 0.408 0.831169
115 UVC 0.407895 0.842857
116 UM3 0.407895 0.897059
117 C5G 0.404255 0.875
118 UPA 0.401869 0.828947
119 A U C C 0.401639 0.794872
120 UAG 0.4 0.851351
121 A G U 0.4 0.7875
Ligand no: 3; Ligand: UDP; Similar ligands found: 117
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 U 0.78125 0.984615
6 UPU 0.72973 0.940298
7 2KH 0.722222 0.970149
8 44P 0.720588 0.955882
9 UFM 0.717949 0.941176
10 GDU 0.717949 0.941176
11 URM 0.717949 0.927536
12 660 0.717949 0.927536
13 UPG 0.717949 0.941176
14 GUD 0.717949 0.941176
15 UDP UDP 0.714286 0.939394
16 UPP 0.705128 0.941176
17 UDH 0.705128 0.864865
18 U2F 0.691358 0.888889
19 UFG 0.691358 0.888889
20 UPF 0.691358 0.888889
21 UAD 0.670732 0.941176
22 UDX 0.670732 0.941176
23 3UC 0.658824 0.888889
24 USQ 0.654762 0.820513
25 UGB 0.654762 0.955224
26 UGA 0.654762 0.955224
27 G3N 0.647059 0.914286
28 UDM 0.636364 0.914286
29 URI 0.625 0.863636
30 UD1 0.622222 0.927536
31 UD2 0.622222 0.927536
32 Y6W 0.607143 0.888889
33 CDP 0.605263 0.942029
34 HP7 0.591398 0.941176
35 UD7 0.591398 0.927536
36 MJZ 0.585106 0.914286
37 IUG 0.583333 0.810127
38 F5G 0.578947 0.927536
39 12V 0.578947 0.901408
40 HWU 0.578947 0.901408
41 F5P 0.578947 0.914286
42 UD4 0.578947 0.914286
43 CJB 0.573529 0.820895
44 UDZ 0.571429 0.853333
45 DUD 0.571429 0.913043
46 UP5 0.571429 0.853333
47 U U 0.563218 0.955224
48 EPZ 0.56 0.914286
49 5GW 0.559524 0.942029
50 EPU 0.554455 0.901408
51 EEB 0.554455 0.901408
52 U3P 0.547945 0.939394
53 UA3 0.547945 0.939394
54 4TC 0.544554 0.831169
55 HF4 0.54321 0.942029
56 CTP 0.54321 0.942029
57 CSQ 0.531915 0.851351
58 CSV 0.531915 0.851351
59 DUT 0.52439 0.913043
60 4GW 0.516484 0.915493
61 UMA 0.513761 0.914286
62 U4S 0.513158 0.753425
63 U2P 0.506667 0.954545
64 U2S 0.5 0.767123
65 U3S 0.5 0.753425
66 PUP 0.48913 0.913043
67 U21 0.486957 0.810127
68 U20 0.486957 0.810127
69 U22 0.486957 0.790123
70 DKX 0.486486 0.746479
71 U1S 0.482759 0.75
72 A U 0.481132 0.805195
73 2QR 0.478632 0.822785
74 5FU 0.474359 0.914286
75 G U 0.472222 0.7875
76 8OD 0.47191 0.851351
77 C5G 0.468085 0.888889
78 7XL 0.465909 0.888889
79 U U U U 0.461538 0.940298
80 UMF 0.461538 0.857143
81 G8D 0.460674 0.855263
82 UTP U U U 0.456522 0.895522
83 2TU 0.452055 0.774648
84 4RA 0.451613 0.855263
85 C2G 0.450549 0.901408
86 DU 0.45 0.898551
87 UMP 0.45 0.898551
88 C 0.45 0.927536
89 CAR 0.45 0.927536
90 C5P 0.45 0.927536
91 UAG 0.448 0.864865
92 CDC 0.446809 0.777778
93 5BU 0.444444 0.914286
94 UD0 0.444444 0.844156
95 N3E 0.440476 0.733333
96 UC5 0.440476 0.9
97 UUA 0.438356 0.772727
98 DUP 0.431818 0.887324
99 2GW 0.431373 0.901408
100 M7G 0.430108 0.780488
101 CNU 0.428571 0.927536
102 CDM 0.427083 0.842105
103 H6Y 0.425532 0.851351
104 16B 0.421687 0.888889
105 S5P 0.419753 0.915493
106 8GT 0.419355 0.855263
107 CXY 0.418367 0.888889
108 UPA 0.418182 0.842105
109 U2G 0.410714 0.822785
110 U A A U 0.409836 0.842105
111 UML 0.408759 0.810127
112 UP6 0.407407 0.871429
113 M7M 0.40625 0.771084
114 1GW 0.40367 0.864865
115 BMP 0.402439 0.970149
116 APU 0.401786 0.828947
117 PMP UD1 0.401575 0.7875
Ligand no: 4; Ligand: UDP UDP; Similar ligands found: 88
No: Ligand ECFP6 Tc MDL keys Tc
1 UDP UDP 1 1
2 U 0.727273 0.953846
3 U5P 0.727273 0.953846
4 UDP 0.714286 0.939394
5 44P 0.695652 0.898551
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 UPP 0.583333 0.911765
12 UDH 0.583333 0.837838
13 GUD 0.576471 0.911765
14 URM 0.576471 0.898551
15 660 0.576471 0.898551
16 UFM 0.576471 0.911765
17 UPG 0.576471 0.911765
18 GDU 0.576471 0.911765
19 UTP U U U 0.576471 0.953125
20 URI 0.575758 0.861538
21 UAD 0.574713 0.911765
22 UDX 0.574713 0.911765
23 UPF 0.556818 0.861111
24 UFG 0.556818 0.861111
25 U2F 0.556818 0.861111
26 Y6W 0.551724 0.861111
27 USQ 0.544444 0.794872
28 UGB 0.544444 0.925373
29 UGA 0.544444 0.925373
30 G3N 0.538462 0.885714
31 3UC 0.532609 0.861111
32 CJB 0.528571 0.818182
33 UD7 0.525773 0.898551
34 A U 0.524272 0.851351
35 UDM 0.515789 0.885714
36 12V 0.515152 0.873239
37 HWU 0.515152 0.873239
38 G U 0.514286 0.807692
39 U U U U 0.511364 0.939394
40 UD1 0.505155 0.898551
41 UD2 0.505155 0.898551
42 U2S 0.5 0.788732
43 CSV 0.5 0.849315
44 CSQ 0.5 0.849315
45 F5G 0.5 0.898551
46 HP7 0.494949 0.911765
47 U4S 0.493506 0.774648
48 IUG 0.490196 0.807692
49 MJZ 0.49 0.885714
50 UA3 0.486842 0.909091
51 U3P 0.486842 0.909091
52 UD4 0.485149 0.885714
53 F5P 0.485149 0.885714
54 U3S 0.481013 0.774648
55 UDZ 0.480769 0.851351
56 4TC 0.471698 0.805195
57 UP5 0.466667 0.826667
58 U1S 0.465909 0.77027
59 PMP UD1 0.459016 0.807692
60 EPZ 0.457944 0.885714
61 EEB 0.453704 0.873239
62 EPU 0.453704 0.873239
63 U2P 0.448718 0.895522
64 DKX 0.447368 0.742857
65 U A A U 0.445378 0.84
66 UUA 0.438356 0.769231
67 A U C C 0.427419 0.828947
68 A G U 0.425197 0.797468
69 N3E 0.423529 0.753425
70 UMA 0.422414 0.885714
71 5FU 0.419753 0.885714
72 CDP 0.418605 0.885714
73 C C 0.414894 0.926471
74 C5P 0.414634 0.898551
75 C 0.414634 0.898551
76 CAR 0.414634 0.898551
77 PUP 0.412371 0.884058
78 U A 0.410256 0.84
79 5BU 0.409639 0.885714
80 A G U U 0.409091 0.797468
81 UMF 0.407407 0.828571
82 UC5 0.406977 0.84507
83 DUD 0.406977 0.857143
84 CDC 0.402062 0.797468
85 C C C C 0.402062 0.913043
86 U20 0.401639 0.78481
87 U22 0.401639 0.765432
88 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 with APoc: 38
This union binding pocket(no: 1) in the query (biounit: 3mqg.bio2) has 41 residues
No: Leader PDB Ligand Sequence Similarity
1 1MAI I3P None
2 1L1Q 9DA None
3 3KIF GDL None
4 4M1U A2G MBG None
5 5UF1 FUC GAL NAG 1.5625
6 6M8N MLI 2.60417
7 2BHW XAT 3.125
8 4GN8 ASO 3.64583
9 5JDA AMP 4.16667
10 4QBK 3NZ 4.16667
11 2R0H CTO 4.26829
12 1A78 TDG 4.47761
13 3HQ9 OXL 4.6875
14 1LSH PLD 5.20833
15 5A6B OAN 5.20833
16 1U1J MET 5.72917
17 3WUD GLC GAL 5.88235
18 3EEB IHP 6.25
19 3W68 4PT 6.25
20 4KZV TRE 7.46269
21 6AC9 ANP 8.85417
22 3FSY SCA 9.03614
23 4QYS PLR 9.375
24 5W3Y ACO 9.89583
25 1KGQ SCO 9.89583
26 3QDX CBS 10.4895
27 5W97 CHD 13.6986
28 2WLG SOP 14.5833
29 4HZD COA 18.7943
30 5T2Y 753 21.3542
31 1J2Z SOG 23.9583
32 1KRR ACO 31.7708
33 3VBK 0FX 33.3333
34 3VBK COA 33.3333
35 6GE9 ACO 34.375
36 3TWD GOB 37.5
37 3FS8 ACO 38.0208
38 3FS8 TDR 38.0208
Pocket No.: 2; Query (leader) PDB : 3MQG; Ligand: UDP UDP; Similar sites found with APoc: 30
This union binding pocket(no: 2) in the query (biounit: 3mqg.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1MAI I3P None
2 3THR C2F 2.08333
3 3QRC SCR 3.18471
4 6B3V 7DQ 3.64583
5 6B3V ANP 3.64583
6 4Y9J UCC 3.64583
7 4M0R 644 4.16667
8 3HQ9 OXL 4.6875
9 1YRO UDP 4.6875
10 1LSH PLD 5.20833
11 5A6B OAN 5.20833
12 3W68 4PT 6.25
13 3EEB IHP 6.25
14 4Z3X MTE 8.93855
15 4Z3X 4KX 8.93855
16 1KGQ SCO 9.89583
17 1KGQ NPI 9.89583
18 2WMC MGP 10.6742
19 5ZIC BMA Z4Y NAG 11.4583
20 2WLG SOP 14.5833
21 3VSV XYP 14.5833
22 2QIA U20 18.75
23 5T2Y 753 21.3542
24 1J2Z SOG 23.9583
25 1KRR ACO 31.7708
26 3VBK 0FX 33.3333
27 3VBK COA 33.3333
28 3FS8 ACO 38.0208
29 3FS8 TDR 38.0208
30 5DEP UD1 40.1042
Pocket No.: 3; Query (leader) PDB : 3MQG; Ligand: U5P; Similar sites found with APoc: 18
This union binding pocket(no: 3) in the query (biounit: 3mqg.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1MAI I3P None
2 2VQ5 HBA None
3 3THR C2F 2.08333
4 3HQ9 OXL 4.6875
5 3EEB IHP 6.25
6 3W68 4PT 6.25
7 4Z3X 4KX 8.93855
8 4Z3X MTE 8.93855
9 1KGQ NPI 9.89583
10 5ZIC BMA Z4Y NAG 11.4583
11 2J73 GLC GLC GLC GLC 13.5922
12 5W97 CHD 13.6986
13 1J2Z SOG 23.9583
14 1KRR ACO 31.7708
15 3VBK 0FX 33.3333
16 3VBK COA 33.3333
17 3I3X U22 38.5417
18 5DEP UD1 40.1042
Pocket No.: 4; Query (leader) PDB : 3MQG; Ligand: ACO; Similar sites found with APoc: 16
This union binding pocket(no: 4) in the query (biounit: 3mqg.bio2) has 41 residues
No: Leader PDB Ligand Sequence Similarity
1 3IWD M2T None
2 5UFF 8B7 1.5625
3 5UFC DR2 1.5625
4 4MBY BGC SIA GAL 2.60417
5 4POS NAG SIA GAL 2.60417
6 1XDN ATP 2.60417
7 4FFG 0U8 3.125
8 3BPX SAL 4.05405
9 2Z77 HE7 5.03597
10 2BMB PMM 8.33333
11 1TV5 FMN 10.4167
12 1W6P NDG GAL 10.4478
13 3QDV NDG 10.4895
14 1ULE GLA GAL NAG 10.6667
15 1HV9 COA 36.9792
16 5DEP UD1 40.1042
Pocket No.: 5; Query (leader) PDB : 3MQG; Ligand: U5P; Similar sites found with APoc: 17
This union binding pocket(no: 5) in the query (biounit: 3mqg.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 3GGO NAI 2.60417
2 4CS9 AMP 3.1746
3 1QF5 GDP 4.16667
4 1QF5 RPL 4.16667
5 1UZ4 IFL 4.6875
6 5ZDN CDP 4.6875
7 2HPL ASP ASP LEU TYR GLY 5
8 2WEL K88 5.72917
9 2Y2B AH0 6.41711
10 3FSY SCA 9.03614
11 1KGQ SCO 9.89583
12 2XOC ADE 10.9375
13 2QIA U20 18.75
14 5T2Y 753 21.3542
15 3TWD GOB 37.5
16 3FS8 TDR 38.0208
17 3FS8 ACO 38.0208
Pocket No.: 6; Query (leader) PDB : 3MQG; Ligand: ACO; Similar sites found with APoc: 21
This union binding pocket(no: 6) in the query (biounit: 3mqg.bio2) has 43 residues
No: Leader PDB Ligand Sequence Similarity
1 1W9W BGC BGC BGC GLC BGC BGC 2.11268
2 2AGC DAO 2.46914
3 4UWH JXM 2.60417
4 4LED XXR 2.60417
5 3AKI AH8 3.125
6 1Y9Q MED 3.125
7 4N9I PCG 3.125
8 3SHR CMP 3.125
9 3KCC CMP 3.125
10 4CS9 AMP 3.1746
11 4NYT PC 3.64583
12 5GZ9 MAN 3.64583
13 4XO8 KGM 3.79747
14 3PNA CMP 3.8961
15 4L8F MTX 5.20833
16 3R4S SLB 5.20833
17 2AJH MET 5.72917
18 4CYD CMP 5.72917
19 1TMX BEZ 6.77083
20 4WOE 3S5 7.29167
21 4MUV PCG 8.4507
Pocket No.: 7; Query (leader) PDB : 3MQG; Ligand: UDP; Similar sites found with APoc: 24
This union binding pocket(no: 7) in the query (biounit: 3mqg.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 1MAI I3P None
2 3THR C2F 2.08333
3 4CS9 AMP 3.1746
4 3GJB AKG 3.64583
5 3HQ9 OXL 4.6875
6 1YRO UDP 4.6875
7 1LSH PLD 5.20833
8 3W68 4PT 6.25
9 3EEB IHP 6.25
10 4Z3X 4KX 8.93855
11 4Z3X MTE 8.93855
12 5ZIC BMA Z4Y NAG 11.4583
13 5W97 CHD 13.6986
14 2WLG SOP 14.5833
15 3VSV XYP 14.5833
16 2QIA U20 18.75
17 5T2Y 753 21.3542
18 1J2Z SOG 23.9583
19 1KRR ACO 31.7708
20 3VBK COA 33.3333
21 3VBK 0FX 33.3333
22 3FS8 ACO 38.0208
23 3FS8 TDR 38.0208
24 5DEP UD1 40.1042
Pocket No.: 8; Query (leader) PDB : 3MQG; Ligand: ACO; Similar sites found with APoc: 9
This union binding pocket(no: 8) in the query (biounit: 3mqg.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
1 1IS3 LAT None
2 1V6A TRE 2.60417
3 3SBZ MLI 3.64583
4 2IUW AKG 3.64583
5 4JGT PYR 4.16667
6 2D3Y DU 5.72917
7 5Y86 HRM 6.25
8 2CHT TSA 7.08661
9 2J73 GLC GLC GLC GLC 13.5922
Pocket No.: 9; Query (leader) PDB : 3MQG; Ligand: ACO; Similar sites found with APoc: 4
This union binding pocket(no: 9) in the query (biounit: 3mqg.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
1 3OYW TDG None
2 3KC1 2T6 4.1543
3 5ZIC BMA Z4Y NAG 11.4583
4 1SSQ CYS 17.7083
Pocket No.: 10; Query (leader) PDB : 3MQG; Ligand: ACO; Similar sites found with APoc: 4
This union binding pocket(no: 10) in the query (biounit: 3mqg.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
1 4KVL PLM 3.125
2 1YRO UDP 4.6875
3 1KGQ NPI 9.89583
4 3VSV XYP 14.5833
Pocket No.: 11; Query (leader) PDB : 3MQG; Ligand: U5P; Similar sites found with APoc: 5
This union binding pocket(no: 11) in the query (biounit: 3mqg.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 3RV5 DXC None
2 3BPX SAL 4.05405
3 4D52 GXL 9.375
4 4D52 GIV 9.375
5 2J73 GLC GLC GLC 13.5922
Pocket No.: 12; Query (leader) PDB : 3MQG; Ligand: UDP; Similar sites found with APoc: 9
This union binding pocket(no: 12) in the query (biounit: 3mqg.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 5UFF 8B7 1.5625
2 1M5B BN1 3.125
3 3QRC SCR 3.18471
4 6B3V ANP 3.64583
5 6B3V 7DQ 3.64583
6 4M0R 644 4.16667
7 1KGQ NPI 9.89583
8 1KGQ SCO 9.89583
9 3I3X U22 38.5417
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