-->
Receptor
PDB id Resolution Class Description Source Keywords
5MB4 2 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE PSATHYRELLA ASPEROSPORA LECTIN PAL WITH GLCNAC PSATHYRELLA LECTIN FUNGI SEVEN BLADED BETA PROPELLER GLCNAC SUGAR BIPROTEIN
Ref.: BIOPHYSICAL CHARACTERIZATION AND STRUCTURAL DETERMI THE POTENT CYTOTOXIC PSATHYRELLA ASPEROSPORA LECTIN PROTEINS V. 85 969 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG A:512;
A:514;
A:511;
A:508;
A:513;
A:510;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
Kd = 0.45 uM
221.208 C8 H15 N O6 CC(=O...
MLI A:507;
Invalid;
none;
submit data
102.046 C3 H2 O4 C(C(=...
NA A:501;
A:504;
A:503;
A:506;
A:502;
A:505;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
22.99 Na [Na+]
NDG A:509;
A:515;
Valid;
Valid;
none;
none;
Kd = 0.45 uM
221.208 C8 H15 N O6 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5MB4 2 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE PSATHYRELLA ASPEROSPORA LECTIN PAL WITH GLCNAC PSATHYRELLA LECTIN FUNGI SEVEN BLADED BETA PROPELLER GLCNAC SUGAR BIPROTEIN
Ref.: BIOPHYSICAL CHARACTERIZATION AND STRUCTURAL DETERMI THE POTENT CYTOTOXIC PSATHYRELLA ASPEROSPORA LECTIN PROTEINS V. 85 969 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 5MB4 Kd = 0.45 uM NAG C8 H15 N O6 CC(=O)N[C@....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 2C25 - SIA C11 H19 N O9 CC(=O)N[C@....
2 4UP4 Kd = 110 uM GAL NAG n/a n/a
3 2BWM - SNG C9 H17 N O5 Se CC(=O)N[C@....
4 4TQK Kd = 28.31 uM NAG C8 H15 N O6 CC(=O)N[C@....
5 4TQM Kd = 41.65 uM NAG GAL NAG n/a n/a
6 5MB4 Kd = 0.45 uM NAG C8 H15 N O6 CC(=O)N[C@....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 2C25 - SIA C11 H19 N O9 CC(=O)N[C@....
2 4UP4 Kd = 110 uM GAL NAG n/a n/a
3 2BWM - SNG C9 H17 N O5 Se CC(=O)N[C@....
4 4TQK Kd = 28.31 uM NAG C8 H15 N O6 CC(=O)N[C@....
5 4TQM Kd = 41.65 uM NAG GAL NAG n/a n/a
6 5MB4 Kd = 0.45 uM NAG C8 H15 N O6 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAG; Similar ligands found: 105
No: Ligand ECFP6 Tc MDL keys Tc
1 NGA 1 1
2 NAG 1 1
3 A2G 1 1
4 BM3 1 1
5 HSQ 1 1
6 NDG 1 1
7 BGN 0.638298 0.888889
8 SIZ 0.630435 0.906977
9 YX1 0.625 0.65
10 STZ 0.612245 0.65
11 4QY 0.591837 0.735849
12 BMX 0.591837 0.735849
13 16G 0.591837 0.735849
14 9C1 0.58 0.886364
15 SNG 0.5625 0.866667
16 NGS 0.54902 0.661017
17 NDG NAG 0.54386 0.833333
18 CBS 0.54386 0.833333
19 NAG GDL 0.54386 0.833333
20 CBS CBS 0.54386 0.833333
21 ASG 0.538462 0.661017
22 BG8 0.537037 0.906977
23 MAG 0.530612 0.909091
24 2F8 0.530612 0.909091
25 NDG GAL 0.517857 0.888889
26 NLC 0.517857 0.888889
27 GAL NDG 0.517857 0.888889
28 NAG A2G 0.517241 0.833333
29 4V5 0.517241 0.829787
30 NAG NGA 0.517241 0.833333
31 4UZ 0.508475 0.808511
32 NAG NAG NAG NAG NDG 0.508197 0.816327
33 NDG NAG NAG NAG 0.508197 0.816327
34 NAG NAG NDG 0.508197 0.816327
35 NAG NAG NDG NAG 0.508197 0.816327
36 CTO 0.508197 0.816327
37 NDG NAG NAG NDG 0.508197 0.816327
38 NAG NAG NAG NDG 0.508197 0.816327
39 NDG NAG NAG 0.508197 0.816327
40 NAG NAG NAG NAG NAG 0.508197 0.816327
41 NAG NAG NAG NAG NAG NAG 0.508197 0.816327
42 NAG NAG NAG NAG NAG NAG NAG NAG 0.508197 0.816327
43 MQG 0.5 0.698113
44 NBG 0.5 0.951219
45 GAL NGA 0.491228 0.888889
46 A2G GAL 0.491228 0.888889
47 GAL A2G 0.491228 0.888889
48 AMU 0.490909 0.930233
49 NG1 0.490566 0.754717
50 GN1 0.490566 0.754717
51 NAG GAL 0.474576 0.888889
52 GAL NAG 0.474576 0.888889
53 NAG FUC 0.474576 0.866667
54 NAG GAL NAG 0.455882 0.833333
55 3YW 0.448276 0.930233
56 GLA GAL NAG 0.446154 0.888889
57 MAN BMA NAG 0.446154 0.888889
58 NGA GAL 0.428571 0.869565
59 FUC GAL NAG 0.426471 0.869565
60 GAL NAG FUC 0.426471 0.869565
61 DR2 0.426471 0.869565
62 NAG GAL FUC 0.426471 0.869565
63 NDG GAL FUC 0.426471 0.869565
64 FUC GAL NDG 0.426471 0.869565
65 FUL GAL NAG 0.426471 0.869565
66 G6S NAG 0.426471 0.645161
67 TNR 0.42623 0.833333
68 GYU 0.42623 0.740741
69 GAL NGA A2G 0.424242 0.833333
70 NAG BDP 0.421875 0.851064
71 NAG MBG 0.419355 0.851064
72 NGA GAL BGC 0.41791 0.888889
73 NAG NDG 0.415385 0.784314
74 NAG NAG 0.415385 0.784314
75 AZC 0.415094 0.795918
76 SN5 SN5 0.412698 0.705882
77 A2G MBG 0.412698 0.851064
78 MBG A2G 0.412698 0.851064
79 HS2 0.411765 0.8125
80 5AX 0.411765 0.866667
81 NAG MAN BMA 0.411765 0.888889
82 6ZC 0.409091 0.655738
83 LEC 0.409091 0.655738
84 TCG 0.408451 0.689655
85 GAL BGC NAG GAL 0.408451 0.888889
86 NAG MAN 0.40625 0.851064
87 WOO 0.404762 0.7
88 MAN 0.404762 0.7
89 GAL 0.404762 0.7
90 BGC 0.404762 0.7
91 BMA 0.404762 0.7
92 GLA 0.404762 0.7
93 ALL 0.404762 0.7
94 GLC 0.404762 0.7
95 GXL 0.404762 0.7
96 GIV 0.404762 0.7
97 NAG AMU 0.402778 0.8
98 NAG MUB 0.402778 0.8
99 NAG A2G GAL 0.402778 0.833333
100 A2G GAL FUC 0.4 0.869565
101 FUC GLA A2G 0.4 0.869565
102 DR3 0.4 0.869565
103 A2G GLA FUC 0.4 0.869565
104 NGA GAL FUC 0.4 0.869565
105 FUC GAL A2G 0.4 0.869565
Ligand no: 2; Ligand: NDG; Similar ligands found: 105
No: Ligand ECFP6 Tc MDL keys Tc
1 NGA 1 1
2 NAG 1 1
3 A2G 1 1
4 BM3 1 1
5 HSQ 1 1
6 NDG 1 1
7 BGN 0.638298 0.888889
8 SIZ 0.630435 0.906977
9 YX1 0.625 0.65
10 STZ 0.612245 0.65
11 4QY 0.591837 0.735849
12 BMX 0.591837 0.735849
13 16G 0.591837 0.735849
14 9C1 0.58 0.886364
15 SNG 0.5625 0.866667
16 NGS 0.54902 0.661017
17 NDG NAG 0.54386 0.833333
18 CBS 0.54386 0.833333
19 NAG GDL 0.54386 0.833333
20 CBS CBS 0.54386 0.833333
21 ASG 0.538462 0.661017
22 BG8 0.537037 0.906977
23 MAG 0.530612 0.909091
24 2F8 0.530612 0.909091
25 NDG GAL 0.517857 0.888889
26 NLC 0.517857 0.888889
27 GAL NDG 0.517857 0.888889
28 NAG A2G 0.517241 0.833333
29 4V5 0.517241 0.829787
30 NAG NGA 0.517241 0.833333
31 4UZ 0.508475 0.808511
32 NAG NAG NAG NAG NDG 0.508197 0.816327
33 NDG NAG NAG NAG 0.508197 0.816327
34 NAG NAG NDG 0.508197 0.816327
35 NAG NAG NDG NAG 0.508197 0.816327
36 CTO 0.508197 0.816327
37 NDG NAG NAG NDG 0.508197 0.816327
38 NAG NAG NAG NDG 0.508197 0.816327
39 NDG NAG NAG 0.508197 0.816327
40 NAG NAG NAG NAG NAG 0.508197 0.816327
41 NAG NAG NAG NAG NAG NAG 0.508197 0.816327
42 NAG NAG NAG NAG NAG NAG NAG NAG 0.508197 0.816327
43 MQG 0.5 0.698113
44 NBG 0.5 0.951219
45 GAL NGA 0.491228 0.888889
46 A2G GAL 0.491228 0.888889
47 GAL A2G 0.491228 0.888889
48 AMU 0.490909 0.930233
49 NG1 0.490566 0.754717
50 GN1 0.490566 0.754717
51 NAG GAL 0.474576 0.888889
52 GAL NAG 0.474576 0.888889
53 NAG FUC 0.474576 0.866667
54 NAG GAL NAG 0.455882 0.833333
55 3YW 0.448276 0.930233
56 GLA GAL NAG 0.446154 0.888889
57 MAN BMA NAG 0.446154 0.888889
58 NGA GAL 0.428571 0.869565
59 FUC GAL NAG 0.426471 0.869565
60 GAL NAG FUC 0.426471 0.869565
61 DR2 0.426471 0.869565
62 NAG GAL FUC 0.426471 0.869565
63 NDG GAL FUC 0.426471 0.869565
64 FUC GAL NDG 0.426471 0.869565
65 FUL GAL NAG 0.426471 0.869565
66 G6S NAG 0.426471 0.645161
67 TNR 0.42623 0.833333
68 GYU 0.42623 0.740741
69 GAL NGA A2G 0.424242 0.833333
70 NAG BDP 0.421875 0.851064
71 NAG MBG 0.419355 0.851064
72 NGA GAL BGC 0.41791 0.888889
73 NAG NDG 0.415385 0.784314
74 NAG NAG 0.415385 0.784314
75 AZC 0.415094 0.795918
76 SN5 SN5 0.412698 0.705882
77 A2G MBG 0.412698 0.851064
78 MBG A2G 0.412698 0.851064
79 HS2 0.411765 0.8125
80 5AX 0.411765 0.866667
81 NAG MAN BMA 0.411765 0.888889
82 6ZC 0.409091 0.655738
83 LEC 0.409091 0.655738
84 TCG 0.408451 0.689655
85 GAL BGC NAG GAL 0.408451 0.888889
86 NAG MAN 0.40625 0.851064
87 WOO 0.404762 0.7
88 MAN 0.404762 0.7
89 GAL 0.404762 0.7
90 BGC 0.404762 0.7
91 BMA 0.404762 0.7
92 GLA 0.404762 0.7
93 ALL 0.404762 0.7
94 GLC 0.404762 0.7
95 GXL 0.404762 0.7
96 GIV 0.404762 0.7
97 NAG AMU 0.402778 0.8
98 NAG MUB 0.402778 0.8
99 NAG A2G GAL 0.402778 0.833333
100 A2G GAL FUC 0.4 0.869565
101 FUC GLA A2G 0.4 0.869565
102 DR3 0.4 0.869565
103 A2G GLA FUC 0.4 0.869565
104 NGA GAL FUC 0.4 0.869565
105 FUC GAL A2G 0.4 0.869565
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5MB4; Ligand: NAG; Similar sites found with APoc: 144
This union binding pocket(no: 1) in the query (biounit: 5mb4.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 1ZEI CRS None
2 2ZJ3 G6P 1.06667
3 5UQK U2F 1.24688
4 2VCH UDP 1.24688
5 4QLX FMN 1.36986
6 5DP2 NAP 1.46199
7 4B7X NAP 1.4881
8 5IE3 AMP 1.49626
9 5IE3 OXD 1.49626
10 4EIL NDP 1.49626
11 3VYW SAM 1.62338
12 2FWP CIT 1.63934
13 2WQQ CSF 1.71821
14 2VBF TPP 1.74564
15 3PPM JG1 1.74564
16 3T2C 13P 1.74564
17 5Y9D FAD 1.74564
18 5K0A FAD 1.81818
19 1MI3 NAD 1.86335
20 2X61 NGA GAL SIA 1.93798
21 2X61 CH 1.93798
22 1V59 FAD 1.99501
23 6CUZ FEV 2.06186
24 4C5N PXL 2.17391
25 4C5N ACP 2.17391
26 5HC0 NPO 2.19178
27 3OVR 5SP 2.19298
28 1CZA G6P 2.24439
29 2CXS F6P 2.24439
30 3MKH FAD 2.24439
31 5DM1 5D7 2.24719
32 5DM1 SAH 2.24719
33 1HEX NAD 2.31884
34 5M67 NAD 2.49377
35 2HNK SAH 2.51046
36 5KVA SAM 2.51799
37 3M0J OAF 2.60586
38 5DOZ NDP 2.66272
39 1Z3C SA8 2.68456
40 1RO7 CSF 2.7027
41 6CI9 NAP 2.7027
42 5CMK GLU 2.7027
43 3FV1 DYH 2.73438
44 3FQ8 PMP 2.74314
45 3A4V NAD 2.83912
46 3A4V PYR 2.83912
47 4YMH SAH 2.91667
48 1PVN MZP 2.92553
49 1I2B UPG 2.99252
50 1I2B USQ 2.99252
51 1I2B NAD 2.99252
52 2IVD FAD 2.99252
53 4ZM4 P3B 2.99252
54 2BZ1 TAU 3.06122
55 1VHT BA3 3.21101
56 6MVU K4V 3.2419
57 3CGB FAD 3.2419
58 6F90 MVL 3.2419
59 4ZNL BEF ADP 3.28467
60 3JSX FAD 3.2967
61 3JSX CC2 3.2967
62 1F74 NAY 3.41297
63 5LOG SAH 3.43348
64 3A4M ADP 3.46154
65 2IU8 UD1 3.47594
66 6APL C5P 3.47594
67 1UPA TPP 3.49127
68 2IHT TPP 3.49127
69 4HCX NDP 3.49127
70 3H4T UDP 3.49127
71 5AG3 3EB 3.52941
72 1GR0 NAD 3.54223
73 3WMX NAD 3.63128
74 6D28 NEC 3.663
75 6ADI NDP 3.74065
76 4YKG FAD 3.74065
77 1KOJ PAN 3.74065
78 4L9Z COA 3.83481
79 1I9G SAM 3.92857
80 1G6O ADP 3.93939
81 2HF9 GSP 3.9823
82 3O5X JZG 3.98551
83 4XRZ SI6 3.99003
84 2ACV UDP 3.99003
85 1KAH HIS 3.99003
86 2IYF UDP 3.99003
87 5T2U NAP 4.03226
88 5FBN 5WF 4.05904
89 2ZGY GDP 4.0625
90 5G5G MCN 4.08805
91 1JXZ BCA 4.08922
92 3MTW M3R 4.2394
93 3VRY B43 4.2394
94 2RHO GSP 4.30769
95 2O2C G6Q 4.48878
96 1V1A KDG 4.53074
97 2Q89 6CS 4.66926
98 3T34 GDP 4.72222
99 1JQ3 AAT 4.72973
100 1UJ2 C5P 4.7619
101 1UJ2 ADP 4.7619
102 4OB6 S2T 4.98534
103 5T9F NAP 5.16605
104 5T9F TYR 5.16605
105 3H0L ADP 5.31915
106 1T3Q MCN 5.35714
107 3GXA MET 5.45455
108 4IPE ANP 5.48628
109 1RM6 FAD 5.59006
110 4Z87 5GP 5.73566
111 1T8U A3P 5.88235
112 5BV6 35G 5.92105
113 3LM9 ADP 5.96026
114 5XJ7 87O 5.97015
115 1UMG 2FP 6.07735
116 1EP2 ORO 6.13027
117 5Y6Q FAD 6.17284
118 2Q16 ITT 6.39269
119 2BHZ MAL 6.48379
120 2H04 4UN 6.70927
121 2IOR ADP 6.80851
122 5KZD RCJ 7.50853
123 1W0J ADP BEF 7.72059
124 1CR1 TTP 7.77027
125 2IS6 ADP 8.4788
126 4JWX 1N4 8.57143
127 1V47 ADX 8.59599
128 6CWH 6LA 8.79121
129 3PF7 MLA 8.97756
130 4MUV PCG 9.15493
131 2V7Q ADP 10
132 2CK3 ADP 10
133 2CK3 ANP 10
134 4ZFL 4NK 10.6838
135 1N62 FAD 11.1111
136 2ZTS ADP 11.1554
137 6ER9 FAD 11.2219
138 4OI4 ATP 12.1739
139 3ZIA ADP 12.3188
140 5L95 AMP 12.5
141 5D6J ATP 13.5135
142 4KNL MUB ALA ZGL ALY DAL NH2 15.5556
143 4TTQ ATP 15.814
144 5WZN A2G 16.4589
Pocket No.: 2; Query (leader) PDB : 5MB4; Ligand: NAG; Similar sites found with APoc: 188
This union binding pocket(no: 2) in the query (biounit: 5mb4.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 1S8G DAO None
2 4A2B AGS 1.24688
3 4A2A ATP 1.24688
4 3D9F FAD 1.24688
5 3D9F N6C 1.24688
6 3VU2 CEX 1.24688
7 5JWC FAD 1.24688
8 4EA7 COA 1.36364
9 4EA7 JB2 1.36364
10 2VK4 TPP 1.49626
11 3HDY FDA 1.51134
12 2FXU ATP 1.6
13 3MN6 ATP 1.60428
14 1TIQ COA 1.66667
15 2WOE AR6 1.67224
16 6B0K G4S 9RN G4S 9RN G4S 1.74564
17 6B0K 9RN G4S 9RN G4S 1.74564
18 1ZC9 PMP 1.74564
19 2NSJ C2R 1.77515
20 2XTZ GSP 1.9774
21 5I0H ADP BEF 1.99501
22 3B1J NAD 2.0649
23 4M73 M72 2.07715
24 4M73 SAH 2.07715
25 4ZLU 4PW 2.24439
26 4ZLU ADP 2.24439
27 4QYS PLP SEP 2.24439
28 3KAL ADP 2.24439
29 4B2D FBP 2.24439
30 1Z45 NAD 2.24439
31 5ZI9 FLC 2.30769
32 5U5G NAP 2.37288
33 5XFV FMN 2.39521
34 1QZZ SAM 2.40642
35 3FKQ ATP 2.41287
36 5TG5 JW8 2.44898
37 1FDJ 2FP 2.47934
38 1FDJ 13P 2.47934
39 4EU7 CIT 2.49377
40 4M52 M52 2.49377
41 4EU7 COA 2.49377
42 2ZOF BES 2.49377
43 6CD1 PLS 2.49377
44 6CD1 PLG 2.49377
45 2IHK CSF 2.50627
46 5XVR TRH 2.60417
47 4CFP NAG AMU NAG AMV 2.6393
48 3FCI 3FI 2.69058
49 1Q0S SAH 2.7027
50 2POC BG6 2.7248
51 3NRR D16 2.74314
52 2VVL FAD 2.74314
53 5EB4 FAD 2.74314
54 3IES M24 2.74314
55 1JS4 BGC 2.99252
56 1JS4 BGC BGC 2.99252
57 3OND ADN 2.99252
58 3OND NAD 2.99252
59 4RJK TPP 2.99252
60 4RJK TDL 2.99252
61 5GZ6 NDP 3.06748
62 5GZ6 7C3 3.06748
63 1JQD SAH 3.08219
64 4EI7 GDP 3.08483
65 2J8Z NAP 3.10734
66 1YS4 NAP 3.10734
67 2NXW TPP 3.2419
68 3EYA TDP 3.2419
69 4KGD FAD 3.2419
70 4KGD TDP 3.2419
71 5HM3 649 3.2419
72 1GPM CIT 3.2419
73 5DXV NAP 3.2419
74 1UDB UFG 3.25444
75 1UDB NAD 3.25444
76 5BO9 SIA GAL NGS 3.40557
77 5BO9 CSF 3.40557
78 4AMV F6R 3.49127
79 3FSJ D7K 3.49127
80 1F0X FAD 3.49127
81 4WTR BGC BGC 3.49127
82 2ZBA COA 3.49127
83 4TX6 38B 3.54839
84 1ADO 13P 3.58127
85 4EXS X8Z 3.67647
86 2GAG FAD 3.74065
87 2GAG FOA 3.74065
88 5MQ6 NDP 3.74065
89 6IKG MET ALA ALA 3.74065
90 1CS4 GSP 3.77358
91 3PNL ADP 3.79147
92 3CIP ATP 3.90625
93 4CBU ATP 3.93701
94 6F7L FAD 3.99003
95 1NY5 ADP 3.99003
96 1F06 2NP 4.0625
97 1F06 NDP 4.0625
98 1UDH URA 4.09836
99 1Z08 GNP 4.11765
100 1L3I SAH 4.16667
101 3FC4 EDO 4.2394
102 4A59 AMP 4.2394
103 3C6K SPD 4.2394
104 3C6K MTA 4.2394
105 1T9D FAD 4.2836
106 5WKC FAD 4.2836
107 4IO2 GLU 4.43548
108 1US5 GLU 4.4586
109 4D5G TPP 4.48878
110 4D5G FAD 4.48878
111 1Q19 APC 4.48878
112 4D57 ARG AMP 4.48878
113 3I53 SAH 4.51807
114 1MOQ GLP 4.61957
115 1PJS NAD 4.73815
116 3TUT ATP 4.7486
117 5EXE 5SR 4.7619
118 5M3E APR 4.84848
119 1GAD NAD 4.84848
120 4P6G 2FZ 4.86726
121 4V3C C 4.89691
122 4UCI SAM 4.98753
123 1AOE GW3 5.20833
124 1AOE NDP 5.20833
125 2X1L ADN 5.23691
126 1KOL NAD 5.27638
127 1SVK ALF GDP 5.38244
128 1O2D NAP 5.39084
129 3KUD GDP 5.42169
130 3DNT ATP 5.48628
131 1GPE FAD 5.48628
132 1VCO GLN 5.48628
133 3OU2 SAH 5.50459
134 1I3U RR1 5.51181
135 4I42 1HA 5.61404
136 3U4L ATP 5.71429
137 1QPB TPP 5.73566
138 1QPB PYM 5.73566
139 2C31 TZD 5.73566
140 2C31 ADP 5.73566
141 3KJS NAP 5.73566
142 3I8P 840 5.73566
143 3GBR PRP 5.7971
144 3A28 NAD 5.81395
145 5I7A 68Q 5.82822
146 5GXU FMN 5.9375
147 5XJ8 NKO 5.97015
148 1K0E TRP 5.98504
149 3AD8 FAD 6.06061
150 3AD8 PYC 6.06061
151 3N9R TD3 6.18893
152 2ADA HPR 6.25
153 4AIG FLX 6.46766
154 1G16 GDP 6.47059
155 5J60 FAD 6.875
156 3OIX FMN 6.95652
157 2IVN ANP 6.9697
158 4WAS COO 7.14286
159 4WAS NAP 7.14286
160 1PZ1 NAP 7.20721
161 2FZH DH1 7.28155
162 4CQM NAP 7.37705
163 2ED4 FAD 7.38255
164 2W9S NDP 7.45342
165 2NXE SAM 7.87402
166 3IA4 NDP 8.02469
167 3KF3 FRU 8.22943
168 4NDO ATP 8.33333
169 5DEX 5E0 8.48057
170 1X92 M7P 8.54271
171 2I7C AAT 8.72818
172 1RHC F42 ACN 8.78788
173 5LU5 M7P 9.13706
174 3DZD ADP 9.23913
175 1D6S MET PLP 9.31677
176 1D6S PLP MET 9.31677
177 1G7C 5GP 9.57447
178 1TAD GDP 10.1852
179 1TAD ALF 10.1852
180 5CAE SIN 10.5431
181 3C3N FMN 10.5769
182 5HCT 61P 10.9785
183 4WS6 WBU 11.3445
184 6FA4 GNP 11.5607
185 5OVL NAP 12.3333
186 1TX4 ALF GDP 14.6465
187 2PY4 DUP 14.9425
188 3AFN NAP 15.5039
Pocket No.: 3; Query (leader) PDB : 5MB4; Ligand: NDG; Similar sites found with APoc: 159
This union binding pocket(no: 3) in the query (biounit: 5mb4.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 1S8G DAO None
2 2ZJ3 G6P 1.06667
3 4A2B AGS 1.24688
4 4A2A ATP 1.24688
5 5JWC FAD 1.24688
6 2VCH UDP 1.24688
7 5JY4 ISC 1.27877
8 6G1P CIT 1.42857
9 4EIL NDP 1.49626
10 6HH6 A3R 1.49626
11 2VK4 TPP 1.49626
12 5MW4 5JU 1.49701
13 2FXU ATP 1.6
14 3IP6 PRO 1.68539
15 6D6Y SAH 1.74564
16 2VBF TPP 1.74564
17 4KRG SAH 1.74564
18 3SXN COA 1.74564
19 2NSJ C2R 1.77515
20 1U8V FAD 1.99501
21 4YJI TYL 1.99501
22 6AM8 PLT 2.0202
23 6CUZ FEV 2.06186
24 1CF2 NAP 2.07715
25 2EG5 SAH 2.15054
26 5K5Z ANP 2.2293
27 4QYS PLR 2.24439
28 1CZA G6P 2.24439
29 3VEH 0GA 2.24439
30 4QYS PLP SEP 2.24439
31 1RX0 FAD 2.29008
32 3PFD FDA 2.29008
33 1U9Q 186 2.32558
34 3ZOK NAD 2.38095
35 1P0F NAP 2.41287
36 4EU7 CIT 2.49377
37 4EU7 COA 2.49377
38 1M21 PHE CSI LEU PHA 2.49377
39 2OHH FMN 2.49377
40 1XG5 NAP 2.50896
41 5XVR TRH 2.60417
42 3QJ4 FAD 2.63158
43 1UPF URF 2.67857
44 3FCI 3FI 2.69058
45 6CI9 NAP 2.7027
46 5CMK GLU 2.7027
47 2POC BG6 2.7248
48 3FV1 DYH 2.73438
49 4MAF ADX 2.74314
50 3ICR FAD 2.74314
51 5VJE GOS 2.7933
52 2C6Q NDP 2.849
53 3OND ADN 2.99252
54 2OEM 1AE 2.99252
55 4RJK TPP 2.99252
56 2NPX FAD 2.99252
57 1JS4 BGC 2.99252
58 1JS4 BGC BGC 2.99252
59 3HQP FDP 2.99252
60 2J8Z NAP 3.10734
61 5YJF SAH 3.16901
62 5YJF 8WO 3.16901
63 2BEK ATP 3.2419
64 4YV5 SVR 3.27869
65 5BO9 CSF 3.40557
66 1ZPD DPX 3.49127
67 4AMV F6R 3.49127
68 1RRM APR 3.62694
69 1KOJ PAN 3.74065
70 2IYA UDP 3.74065
71 3PNL ADP 3.79147
72 2ZJ1 ARJ 3.99003
73 2ZJ1 NAD 3.99003
74 2IYF UDP 3.99003
75 5THZ SAH 3.99003
76 3ZQ6 ADP ALF 4.01235
77 5UC1 486 4.05405
78 5FBN 5WF 4.05904
79 5G5G FAD 4.08805
80 3C9U TPP 4.09357
81 1SNY NAP 4.11985
82 1M2O GNP 4.2394
83 3C6K SPD 4.2394
84 3C6K MTA 4.2394
85 3IQE F42 4.24028
86 2QXL ATP 4.48878
87 1TKB N1T 4.48878
88 1Q19 APC 4.48878
89 4XUC SAM 4.58716
90 4XUC 43G 4.58716
91 3KCC CMP 4.61538
92 1MOQ GLP 4.61957
93 2Q2V NAD 4.70588
94 5E72 SAM 4.91329
95 5NA1 FAD 5.23691
96 3IHG FAD 5.23691
97 3D3W NAP 5.32787
98 2AHR NAP 5.40541
99 3Q87 SAM 5.6
100 1U3U BNF 5.61497
101 1U3U NAD 5.61497
102 4N9I PCG 5.71429
103 4Z87 5GP 5.73566
104 5OWC AYZ 5.7377
105 2Q0L FAD 5.78778
106 3FSM 2NC 5.91133
107 3KA2 2NC 5.91133
108 4LZJ 22H 5.94059
109 1OVD FMN 6.10932
110 1OVD ORO 6.10932
111 5Y6Q FAD 6.17284
112 4AZW SAM 6.23441
113 4AT0 FAD 6.23441
114 5WP5 SAH 6.23441
115 2AKO ADP 6.3745
116 4L1F FAD 6.52742
117 2OBF F83 6.57439
118 2OBF SAH 6.57439
119 4K49 HFQ 6.61765
120 5J60 FAD 6.875
121 1FK8 NAD 7.00389
122 5B48 TDN 7.21311
123 2D1K ATP 7.30769
124 5E8J SAH 7.37179
125 5E9W SAH 7.37179
126 1GV0 NAD 7.41935
127 1HZP DAO 7.46269
128 4Y9J UCC 7.4813
129 4Y9J FAD 7.4813
130 5AVF TAU 7.7821
131 6G5J EM8 7.87879
132 1DJN FMN 7.98005
133 3I6I NDP 8.09249
134 2IS6 ADP 8.4788
135 1X92 M7P 8.54271
136 2JL1 NAP 8.7108
137 2PT9 2MH 8.72818
138 2QRD ATP 8.75912
139 2HJR APR 8.84146
140 3QLM PLM 8.87097
141 1BVY FMN 8.90052
142 5LU5 M7P 9.13706
143 1NAA 6FA 9.22693
144 1NAA ABL 9.22693
145 1D6S MET PLP 9.31677
146 1D6S PLP MET 9.31677
147 2BD0 NAP 9.42623
148 3CLH NAD 9.62099
149 1BAI 0Q4 9.67742
150 2JAP NDP 9.7166
151 5FHD ADP ALF 9.97506
152 3H4L ANP 10.3542
153 3C3N FMN 10.5769
154 3S43 478 11.1111
155 1AKV FMN 12.9252
156 2QV6 GTP 13.0597
157 1ZUI SKM 13.0952
158 2WC1 FMN 14.2857
159 1USF NAP 19.6629
Pocket No.: 4; Query (leader) PDB : 5MB4; Ligand: NAG; Similar sites found with APoc: 54
This union binding pocket(no: 4) in the query (biounit: 5mb4.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 2C0U FAD NBT 1.24688
2 2WPF FAD 1.49626
3 2WPF WPF 1.49626
4 5JFL NAD 1.99501
5 5AHS FAD 1.99501
6 4YJI TYL 1.99501
7 6AYU F6P 2.01729
8 5EZ7 FAD 2.04082
9 1CF2 NAP 2.07715
10 1P0F NAP 2.41287
11 154L NAG NAG NAG 2.7027
12 1I8T FAD 2.7248
13 4C3Y ANB 2.74314
14 4CNK FAD 2.8133
15 1NJR XYL 2.8169
16 5THQ NDP 2.94118
17 3ENV ABF 2.97872
18 1QDS PGA 3.18725
19 2I6A 5I5 3.18841
20 4ORM 2V6 3.2419
21 4ORM ORO 3.2419
22 4ORM FMN 3.2419
23 5LB3 ADP 3.2419
24 3EBL GA4 3.28767
25 6GAS FAD 3.32326
26 1ZPD DPX 3.49127
27 3UWV 2PG 3.83142
28 5THZ SAH 3.99003
29 5WKC PXD 4.2836
30 2B4R AES 4.63768
31 2VYN NAD 4.83384
32 6G3R ADP 5
33 3EVG SAH 5.09091
34 4MO4 ACP 5.12129
35 3SQP FAD 5.23691
36 3PQB VGP 5.23691
37 1WVC CTP 5.79151
38 4RDI ATP 5.90278
39 4AT0 FAD 6.23441
40 2ZSH GA3 6.26781
41 2BTO GTP 6.48148
42 1KSH GDP 6.57895
43 2IID PHE 6.73317
44 2IID FAD 6.73317
45 1F8Y 5MD 7.00637
46 1XFF GLU 7.08333
47 4Y9J UCC 7.4813
48 4Y9J FAD 7.4813
49 1KEL AAH 7.79817
50 1DUB CAA 8.04598
51 3LL5 ADP 9.23695
52 3LL5 IPE 9.23695
53 3ORF NAD 13.1474
54 1SJN DUP 15.2941
Pocket No.: 5; Query (leader) PDB : 5MB4; Ligand: NAG; Similar sites found with APoc: 40
This union binding pocket(no: 5) in the query (biounit: 5mb4.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1JBW ACQ 0.997506
2 1JBW TMF 0.997506
3 1R89 CTP 1.24688
4 5X30 7XF 1.25628
5 5N26 CPT 1.64835
6 1U1I NAD 1.78571
7 4ZL4 4PK 1.99501
8 2VAR KDG 2.23642
9 2VAR KDF 2.23642
10 4QYS PLR 2.24439
11 5ULJ 0WD 2.49377
12 1E5F PLP 2.49377
13 3EMY IVA VAL VAL STA ALA STA 2.73556
14 2D7I UDP 2.74314
15 5TIV A3P 2.7668
16 5A1S FLC 2.99252
17 4KOT CE3 3.08642
18 5AYV KPL 3.23625
19 3CGD FAD 3.2419
20 3CGD COA 3.2419
21 6GNC FAD 3.40136
22 2GN4 NDP 3.48837
23 2IHU TP9 3.49127
24 1DFO PLG 3.74065
25 5CUQ NSC 3.74532
26 1H65 GDP 4.07407
27 4UUU SAM 4.51613
28 1QCI ADE 4.58015
29 4F07 FAD 4.73684
30 5N5D SAM 4.86726
31 4OH4 ANP 5.1051
32 5K4G ASP 5.45455
33 4YRY FAD 5.48628
34 3HKW IX6 6.23441
35 3TKA SAM 6.34006
36 2QZX IVA VAL VAL STA ALA STA 6.43275
37 2VBA P4T 6.73317
38 3CBG SAH 6.89655
39 5KKA 6V0 7.37179
40 3ZLB ANP 8.54271
Pocket No.: 6; Query (leader) PDB : 5MB4; Ligand: NAG; Similar sites found with APoc: 104
This union binding pocket(no: 6) in the query (biounit: 5mb4.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 5YVR NDP 1.24688
2 5JY4 ISC 1.27877
3 5MW4 5JU 1.49701
4 5K8C NAD 1.67598
5 3IP6 PRO 1.68539
6 5N0J FAD 1.7094
7 5YS9 FAD 1.74564
8 6D6Y SAH 1.74564
9 2E4U GLU 1.74564
10 3SXN COA 1.74564
11 3LXD FAD 1.74564
12 2WH8 II2 1.74564
13 6ES9 FAD 1.99501
14 3NTD FAD 1.99501
15 1GZ4 ATP 1.99501
16 2YYY NAP 2.04082
17 1UKW FAD 2.11082
18 2EG5 SAH 2.15054
19 5K5Z ANP 2.2293
20 3VEH 0GA 2.24439
21 1RX0 FAD 2.29008
22 3PFD FDA 2.29008
23 5B4T NAD 2.30769
24 5B4T 3HR 2.30769
25 3ZOK NAD 2.38095
26 1V8B NAD 2.49377
27 1UPF URF 2.67857
28 4JNE ATP 2.74314
29 3ICR FAD 2.74314
30 3ICS FAD 2.74314
31 3NRR NAP 2.74314
32 5G4J EXT 2.74314
33 2OEM 1AE 2.99252
34 2ZXI FAD 2.99252
35 3RFV NAI 2.99625
36 3RFV 15L 2.99625
37 4Q9N NAI 3.02013
38 1JQD HSM 3.08219
39 1BUC FAD 3.13316
40 2X7J TPP 3.2419
41 2BII MTV 3.2419
42 2BEK ATP 3.2419
43 3NKT 1HN 3.26087
44 4YV5 SVR 3.27869
45 4I7E PEP 3.44828
46 5K8B PDG 3.49127
47 1VE3 SAM 3.52423
48 1RRM APR 3.62694
49 4GU5 FAD 3.74065
50 5AA4 6X4 3.74065
51 3X0V FAD 3.74065
52 2ZJ1 NAD 3.99003
53 2ZJ1 ARJ 3.99003
54 5THY SAH 3.99003
55 1YAG ATP 4
56 4A62 ANP 4.0625
57 3C9U TPP 4.09357
58 4IQY AR6 4.16667
59 6G28 AR6 4.35967
60 2QXL ATP 4.48878
61 1OJ7 NZQ 4.48878
62 1QG6 NAD 4.5977
63 4D42 W0I 4.60993
64 4D42 NAP 4.60993
65 1GKZ ADP 4.63918
66 3ENG CBI 4.69484
67 1ZK7 FAD 4.73815
68 1YBH P22 4.73815
69 5IM3 DTP 4.73815
70 1Q7B NAP 4.91803
71 3AXB FAD 4.98753
72 3AXB PRO 4.98753
73 4M7V RAR 5.14286
74 3AY6 NAI 5.20446
75 3OJF NDP 5.44747
76 3Q87 SAM 5.6
77 3LN0 52B 5.73566
78 5OWC AYZ 5.7377
79 4AZW SAM 6.23441
80 5WP5 SAH 6.23441
81 4X6I 3Y1 6.51163
82 4L1F FAD 6.52742
83 2PD4 NAD 6.54545
84 2PD4 DCN 6.54545
85 6EXO C3E 7.44186
86 1HZP DAO 7.46269
87 6G5J EM8 7.87879
88 1DJN FMN 7.98005
89 3I6I NDP 8.09249
90 1PZO CBT 8.36502
91 2J4K U5P 8.40708
92 2QRD ATP 8.75912
93 2HJR APR 8.84146
94 4B5W PYR 8.98438
95 3CLH NAD 9.62099
96 5TBS ADE 10.1045
97 3H4L ANP 10.3542
98 5ITZ GDP 10.8527
99 4AZJ SEP PLP 11.1111
100 3S43 478 11.1111
101 2QV6 GTP 13.0597
102 1ZUI SKM 13.0952
103 1GEE NAD 16.8582
104 5EIB GTP 18.3432
Pocket No.: 7; Query (leader) PDB : 5MB4; Ligand: NDG; Similar sites found with APoc: 56
This union binding pocket(no: 7) in the query (biounit: 5mb4.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1JBW ACQ 0.997506
2 1JBW TMF 0.997506
3 1R89 CTP 1.24688
4 5X30 7XF 1.25628
5 5N26 CPT 1.64835
6 2WQQ CSF 1.71821
7 1U1I NAD 1.78571
8 2X61 NGA GAL SIA 1.93798
9 1V59 FAD 1.99501
10 4ZL4 4PK 1.99501
11 3B1J NAD 2.0649
12 2VAR KDG 2.23642
13 2VAR KDF 2.23642
14 5ULJ 0WD 2.49377
15 1E5F PLP 2.49377
16 5DOZ NDP 2.66272
17 1RO7 CSF 2.7027
18 3EMY IVA VAL VAL STA ALA STA 2.73556
19 2D7I UDP 2.74314
20 5TIV A3P 2.7668
21 1NJR XYL 2.8169
22 4YMH SAH 2.91667
23 5A1S FLC 2.99252
24 1JQD SAH 3.08219
25 4KOT CE3 3.08642
26 5AYV KPL 3.23625
27 3CGD COA 3.2419
28 3CGD FAD 3.2419
29 3EYA TDP 3.2419
30 6GNC FAD 3.40136
31 5LOG SAH 3.43348
32 2GN4 NDP 3.48837
33 1UPA TPP 3.49127
34 2IHU TP9 3.49127
35 1DFO PLG 3.74065
36 5CUQ NSC 3.74532
37 1H65 GDP 4.07407
38 4UUU SAM 4.51613
39 1QCI ADE 4.58015
40 4F07 FAD 4.73684
41 5N5D SAM 4.86726
42 4OH4 ANP 5.1051
43 5K4G ASP 5.45455
44 4YRY FAD 5.48628
45 4IPE ANP 5.48628
46 3OU2 SAH 5.50459
47 1RM6 FAD 5.59006
48 3GBR PRP 5.7971
49 5XJ7 87O 5.97015
50 3HKW IX6 6.23441
51 3TKA SAM 6.34006
52 2QZX IVA VAL VAL STA ALA STA 6.43275
53 2VBA P4T 6.73317
54 3CBG SAH 6.89655
55 5KKA 6V0 7.37179
56 3ZLB ANP 8.54271
Pocket No.: 8; Query (leader) PDB : 5MB4; Ligand: NAG; Similar sites found with APoc: 49
This union binding pocket(no: 8) in the query (biounit: 5mb4.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1JQY A32 None
2 5O9X G16 1.99501
3 3NDJ SAH 1.99501
4 3NDJ JHZ 1.99501
5 1IGW PYR 1.99501
6 3IO3 ADP 2.01149
7 3DMH GMP 2.09974
8 3DMH SAM 2.09974
9 7CPA FVF 2.60586
10 3E5A VX6 2.61194
11 5DVP POA 2.85714
12 3ELW SAM 3
13 5KGS 6SR 3.2419
14 4LC1 GDP 3.2641
15 5BYK A3P 3.4749
16 5BYK OAQ 3.4749
17 3TUR DGL 3.48432
18 3TUR 6CL 3.48432
19 1COY AND 3.49127
20 1Z3V LAT 3.49127
21 1WG8 SAM 3.50877
22 5GUE GGS 3.62538
23 1N07 FMN 3.68098
24 4KWI 1TJ 3.80228
25 3RUV ANP 3.99003
26 5ERG SAM 4.17755
27 3U2U UDP 4.18251
28 1IG3 VIB 4.56274
29 2A92 NAI 5.29595
30 1GZ6 NAI 5.32915
31 4M37 SAH 5.53936
32 1POC GEL 5.97015
33 4XTR ADP 6.45161
34 4WZA ADP 6.48379
35 5HSA FAS 6.48379
36 1N9G NAP 6.73575
37 4U8P FDA 7.23192
38 2D1K ATP 7.30769
39 1ZOS MTM 7.3913
40 2DKD NG1 7.73067
41 6C4A PYR 7.98005
42 3KPB SAM 9.01639
43 4R74 F6P 9.96885
44 4POO SAM 10.5
45 4QNW FMN 10.9694
46 1Y75 NAG 11.0169
47 1XHL NDP 14.8148
48 4OOP DUP 15.6627
49 3WYJ H78 16.996
APoc FAQ
Feedback