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Receptor
PDB id Resolution Class Description Source Keywords
1PPI 2.2 Å EC: 3.2.1.1 THE ACTIVE CENTER OF A MAMMALIAN ALPHA-AMYLASE. THE STRUCTUR COMPLEX OF A PANCREATIC ALPHA-AMYLASE WITH A CARBOHYDRATE IR EFINED TO 2.2 ANGSTROMS RESOLUTION SUS SCROFA HYDROLASE (O-GLYCOSYL)
Ref.: THE ACTIVE CENTER OF A MAMMALIAN ALPHA-AMYLASE. STR THE COMPLEX OF A PANCREATIC ALPHA-AMYLASE WITH A CARBOHYDRATE INHIBITOR REFINED TO 2.2-A RESOLUTION. BIOCHEMISTRY V. 33 6284 1994
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:500;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
CL A:498;
Invalid;
none;
submit data
35.453 Cl [Cl-]
GLC GLC DAF BGC A:990;
Valid;
none;
Ki = 9.7 uM
808.757 n/a O(C1C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1PIG 2.2 Å EC: 3.2.1.1 PIG PANCREATIC ALPHA-AMYLASE COMPLEXED WITH THE OLIGOSACCHARIDE V-1532 SUS SCROFA ALPHA-AMYLASE ALPHA-1 4-GLUCAN-4-GLUCANOHYDROLASE GLYCOSYLTRANSFERASE
Ref.: CARBOHYDRATE AND PROTEIN-BASED INHIBITORS OF PORCINE PANCREATIC ALPHA-AMYLASE: STRUCTURE ANALYSIS AND COMPARISON OF THEIR BINDING CHARACTERISTICS. J.MOL.BIOL. V. 260 409 1996
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 1OSE - BGC C6 H12 O6 C([C@@H]1[....
2 3L2M - GLC GLC GLC GLC GLC GLC n/a n/a
3 1HX0 - GLC AC1 GLC AC1 n/a n/a
4 1WO2 - GLC BGC n/a n/a
5 1JFH Ki = 9 mM GLC MA1 n/a n/a
6 3L2L - GLC GLC GLC GLC n/a n/a
7 1UA3 - MAL C12 H22 O11 C([C@@H]1[....
8 1VAH - NPO C6 H5 N O3 c1cc(ccc1[....
9 1PPI Ki = 9.7 uM GLC GLC DAF BGC n/a n/a
10 1PIG ic50 = 0.7 nM AGL GLC HMC AGL GLC BGC n/a n/a
70% Homology Family (39)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 3OLE Ki = 0.0147 uM ACI G6D GLC ACI G6D GLC GLC n/a n/a
2 5EMY - 5QP C13 H24 O10 C1[C@H]([C....
3 1XD0 Ki = 0.075 uM ARE C31 H53 N O23 C[C@@H]1[C....
4 1U2Y Ki = 18 mM GOX C6 H12 N2 O5 C([C@@H]1[....
5 3OLD Ki = 1.25 uM GLC GLC ACI G6D GLC GLC n/a n/a
6 1XH0 - AAO C37 H63 N O28 C[C@@H]1[C....
7 1XD1 Ki = 0.012 uM 6SA C37 H63 N O28 C[C@@H]1[C....
8 3CPU - GLC GLC n/a n/a
9 1U33 Ki = 25 uM LM2 C19 H34 N2 O15 CO[C@@H]1[....
10 1XH2 - ARE C31 H53 N O23 C[C@@H]1[C....
11 3OLG Ki = 0.0143 uM HSD G6D GLC HSD G6D GLC BGC n/a n/a
12 3BAY - ARE C31 H53 N O23 C[C@@H]1[C....
13 1Z32 - AGL GLC HMC n/a n/a
14 3DHP - GLC AGL GLC HMC n/a n/a
15 3IJ7 - GLF B8D n/a n/a
16 5TD4 - MAL C12 H22 O11 C([C@@H]1[....
17 3OLI Ki = 0.0416 uM HSD G6D GLC HSD G6D GLC GLC n/a n/a
18 1U30 Ki = 1.8 mM GOX C6 H12 N2 O5 C([C@@H]1[....
19 1XCX - IAB C25 H43 N O18 C[C@@H]1[C....
20 4W93 Ki = 8 nM 3L9 C53 H64 O33 C[C@H]1[C@....
21 1CPU - GLC GLC AGL HMC GLC n/a n/a
22 1XCW - 3SA C19 H33 N O13 C[C@@H]1[C....
23 2QV4 - QV4 C31 H53 N O23 C[C@@H]1[C....
24 3IJ9 - B0D C6 H10 F2 O5 C([C@]1([C....
25 3IJ8 - B0D C6 H10 F2 O5 C([C@]1([C....
26 1NM9 - HMC AGL GLC n/a n/a
27 4GQQ - 0XR C11 H12 O4 CCOC(=O)/C....
28 3BAJ - ARE C31 H53 N O23 C[C@@H]1[C....
29 4GQR Ki = 110 uM MYC C15 H10 O8 c1c(cc(c(c....
30 1OSE - BGC C6 H12 O6 C([C@@H]1[....
31 3L2M - GLC GLC GLC GLC GLC GLC n/a n/a
32 1HX0 - GLC AC1 GLC AC1 n/a n/a
33 1WO2 - GLC BGC n/a n/a
34 1JFH Ki = 9 mM GLC MA1 n/a n/a
35 3L2L - GLC GLC GLC GLC n/a n/a
36 1UA3 - MAL C12 H22 O11 C([C@@H]1[....
37 1VAH - NPO C6 H5 N O3 c1cc(ccc1[....
38 1PPI Ki = 9.7 uM GLC GLC DAF BGC n/a n/a
39 1PIG ic50 = 0.7 nM AGL GLC HMC AGL GLC BGC n/a n/a
50% Homology Family (42)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 3OLE Ki = 0.0147 uM ACI G6D GLC ACI G6D GLC GLC n/a n/a
2 5EMY - 5QP C13 H24 O10 C1[C@H]([C....
3 1XD0 Ki = 0.075 uM ARE C31 H53 N O23 C[C@@H]1[C....
4 1U2Y Ki = 18 mM GOX C6 H12 N2 O5 C([C@@H]1[....
5 3OLD Ki = 1.25 uM GLC GLC ACI G6D GLC GLC n/a n/a
6 1XH0 - AAO C37 H63 N O28 C[C@@H]1[C....
7 1XD1 Ki = 0.012 uM 6SA C37 H63 N O28 C[C@@H]1[C....
8 3CPU - GLC GLC n/a n/a
9 1U33 Ki = 25 uM LM2 C19 H34 N2 O15 CO[C@@H]1[....
10 1XH2 - ARE C31 H53 N O23 C[C@@H]1[C....
11 3OLG Ki = 0.0143 uM HSD G6D GLC HSD G6D GLC BGC n/a n/a
12 3BAY - ARE C31 H53 N O23 C[C@@H]1[C....
13 1Z32 - AGL GLC HMC n/a n/a
14 3DHP - GLC AGL GLC HMC n/a n/a
15 3IJ7 - GLF B8D n/a n/a
16 5TD4 - MAL C12 H22 O11 C([C@@H]1[....
17 3OLI Ki = 0.0416 uM HSD G6D GLC HSD G6D GLC GLC n/a n/a
18 1U30 Ki = 1.8 mM GOX C6 H12 N2 O5 C([C@@H]1[....
19 1XCX - IAB C25 H43 N O18 C[C@@H]1[C....
20 4W93 Ki = 8 nM 3L9 C53 H64 O33 C[C@H]1[C@....
21 1CPU - GLC GLC AGL HMC GLC n/a n/a
22 1XCW - 3SA C19 H33 N O13 C[C@@H]1[C....
23 2QV4 - QV4 C31 H53 N O23 C[C@@H]1[C....
24 3IJ9 - B0D C6 H10 F2 O5 C([C@]1([C....
25 3IJ8 - B0D C6 H10 F2 O5 C([C@]1([C....
26 1NM9 - HMC AGL GLC n/a n/a
27 4GQQ - 0XR C11 H12 O4 CCOC(=O)/C....
28 3BAJ - ARE C31 H53 N O23 C[C@@H]1[C....
29 4GQR Ki = 110 uM MYC C15 H10 O8 c1c(cc(c(c....
30 1OSE - BGC C6 H12 O6 C([C@@H]1[....
31 3L2M - GLC GLC GLC GLC GLC GLC n/a n/a
32 1HX0 - GLC AC1 GLC AC1 n/a n/a
33 1WO2 - GLC BGC n/a n/a
34 1JFH Ki = 9 mM GLC MA1 n/a n/a
35 3L2L - GLC GLC GLC GLC n/a n/a
36 1UA3 - MAL C12 H22 O11 C([C@@H]1[....
37 1VAH - NPO C6 H5 N O3 c1cc(ccc1[....
38 1PPI Ki = 9.7 uM GLC GLC DAF BGC n/a n/a
39 1PIG ic50 = 0.7 nM AGL GLC HMC AGL GLC BGC n/a n/a
40 1G94 - DAF GLC DAF GLC GLC n/a n/a
41 1KXH - ACR C25 H43 N O18 C[C@@H]1[C....
42 1G9H - DAF BGC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC GLC DAF BGC; Similar ligands found: 132
No: Ligand ECFP6 Tc MDL keys Tc
1 ACR GLC GLC GLC 1 1
2 GLC GLC AGL HMC GLC 1 1
3 GLC GLC ACI G6D GLC GLC 1 1
4 GLC GLC DAF BGC 1 1
5 GLC ACI GLD GAL 0.950617 1
6 GLC ACI G6D GLC 0.950617 1
7 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.883721 0.938776
8 HSD G6D GLC HSD G6D GLC BGC 0.831461 0.959184
9 ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC 0.831461 0.959184
10 HSD G6D GLC HSD G6D GLC GLC 0.831461 0.959184
11 ACI G6D GLC ACI G6D GLC GLC 0.831461 0.959184
12 AGL GLC HMC AGL GLC BGC 0.822222 0.938776
13 ACR GLC GLC GLC GLC 0.730337 1
14 ACR GLC 0.730337 1
15 BGC GLC DAF GLC GLC GLC DAF 0.607477 0.921569
16 ARE 0.60396 0.957447
17 AAO 0.60396 0.957447
18 GLC GLC G6D ACI GLC GLC GLC 0.59596 0.877551
19 GLC G6D ACI GLC 0.555556 0.877551
20 GLC G6D ADH GLC 0.555556 0.877551
21 GLC ACI GLD GLC 0.555556 0.877551
22 GLC ACI G6D BGC 0.555556 0.877551
23 DAF BGC GLC 0.546392 0.877551
24 DAF GLC GLC 0.546392 0.877551
25 ACI GLD GLC GAL 0.546392 0.877551
26 CTT 0.54321 0.702128
27 CE8 0.54321 0.702128
28 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.54321 0.702128
29 CEY 0.54321 0.702128
30 MAN BMA BMA BMA BMA 0.54321 0.702128
31 BMA BMA BMA BMA BMA 0.54321 0.702128
32 BGC GLC GLC GLC GLC 0.54321 0.702128
33 GLC GLC BGC 0.54321 0.702128
34 BGC BGC BGC BGC 0.54321 0.702128
35 GLC BGC BGC 0.54321 0.702128
36 DXI 0.54321 0.702128
37 GLC BGC GLC 0.54321 0.702128
38 GLA GAL GLC 0.54321 0.702128
39 CT3 0.54321 0.702128
40 BGC GLC GLC GLC 0.54321 0.702128
41 B4G 0.54321 0.702128
42 MAN BMA BMA BMA BMA BMA 0.54321 0.702128
43 GAL GAL GAL 0.54321 0.702128
44 BMA BMA BMA BMA BMA BMA 0.54321 0.702128
45 MTT 0.54321 0.702128
46 BGC BGC BGC BGC BGC BGC 0.54321 0.702128
47 CE5 0.54321 0.702128
48 MT7 0.54321 0.702128
49 BMA MAN BMA 0.54321 0.702128
50 BGC GLC GLC GLC GLC GLC GLC 0.54321 0.702128
51 BGC BGC BGC BGC BGC 0.54321 0.702128
52 CE6 0.54321 0.702128
53 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.54321 0.702128
54 GLA GAL BGC 0.54321 0.702128
55 BMA BMA BMA 0.54321 0.702128
56 CTR 0.54321 0.702128
57 GLC GLC GLC GLC GLC 0.54321 0.702128
58 CEX 0.54321 0.702128
59 GLC GAL GAL 0.54321 0.702128
60 MLR 0.54321 0.702128
61 MAN BMA BMA 0.54321 0.702128
62 GLC BGC BGC BGC 0.54321 0.702128
63 GLC BGC BGC BGC BGC 0.54321 0.702128
64 BGC BGC GLC 0.54321 0.702128
65 BGC BGC BGC 0.54321 0.702128
66 MAN MAN BMA BMA BMA BMA 0.54321 0.702128
67 BGC GLC GLC 0.54321 0.702128
68 BGC BGC BGC GLC 0.54321 0.702128
69 GLC BGC BGC BGC BGC BGC 0.54321 0.702128
70 QV4 0.533981 0.957447
71 ACG 0.523364 0.916667
72 7SA 0.518519 0.918367
73 ACI GLD GLC ACI G6D BGC 0.504762 0.843137
74 AC1 GLC AC1 BGC 0.504762 0.843137
75 BGC GLC AC1 GLC GLC GLC AC1 0.504762 0.843137
76 DAF GLC DAF GLC GLC 0.504762 0.843137
77 ACI G6D GLC ACI G6D BGC 0.504762 0.843137
78 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.504762 0.843137
79 DAF GLC 0.494845 0.877551
80 DAF BGC 0.494845 0.877551
81 CBI 0.493827 0.702128
82 CBK 0.493827 0.702128
83 B2G 0.493827 0.702128
84 LBT 0.493827 0.702128
85 BMA GAL 0.493827 0.702128
86 BGC GAL 0.493827 0.702128
87 MAB 0.493827 0.702128
88 GLA GLA 0.493827 0.702128
89 LAT 0.493827 0.702128
90 GLA GAL 0.493827 0.702128
91 BGC BMA 0.493827 0.702128
92 GLC GAL 0.493827 0.702128
93 MAL 0.493827 0.702128
94 N9S 0.493827 0.702128
95 GAL BGC 0.493827 0.702128
96 6SA 0.491379 0.957447
97 BGC BGC BGC BGC BGC BGC BGC BGC 0.488889 0.702128
98 ABD 0.485149 0.82
99 ACR 0.480769 0.957447
100 QPS 0.480769 0.957447
101 ABC 0.464912 0.916667
102 BMA BMA GLA BMA BMA 0.463158 0.702128
103 GLC GAL FUC 0.462366 0.723404
104 LAT FUC 0.462366 0.723404
105 BGC GAL FUC 0.462366 0.723404
106 8B7 0.462366 0.723404
107 FUC GAL GLC 0.462366 0.723404
108 BGC GLA GAL FUC 0.454545 0.723404
109 GLC GLC GLC BGC 0.452632 0.702128
110 GLA GAL GAL 0.444444 0.702128
111 NGA GAL BGC 0.438776 0.803922
112 GAL NGA GLA BGC GAL 0.438095 0.803922
113 BGC BGC BGC XYS BGC BGC 0.432692 0.673469
114 3SA 0.432692 0.957447
115 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.432692 0.673469
116 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.432692 0.673469
117 LAT GLA 0.428571 0.702128
118 BMA BMA BMA BMA 0.425532 0.666667
119 NGA GLA GAL BGC 0.415094 0.803922
120 GAC 0.411215 0.836735
121 TXT 0.411215 0.836735
122 FUC BGC GAL 0.410526 0.723404
123 G2F BGC BGC BGC BGC BGC 0.410526 0.634615
124 BGC BGC XYS BGC 0.407767 0.673469
125 LAT NAG GAL 0.40566 0.803922
126 BGC BGC BGC XYS GAL 0.40566 0.673469
127 HMC AGL GLC 0.40566 0.897959
128 GLC GAL NAG GAL 0.40566 0.803922
129 XYT 0.404255 0.607143
130 GLA EGA 0.4 0.708333
131 GAL NAG GAL GLC 0.4 0.803922
132 BGC GAL NAG GAL 0.4 0.803922
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1PIG; Ligand: BGC GLC; Similar sites found with APoc: 15
This union binding pocket(no: 1) in the query (biounit: 1pig.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 3ETG NDP 1.6129
2 3ETG GLU 1.6129
3 3CGD NAD 1.66667
4 3UZO GLU 2.7933
5 4JD3 PLM 2.83286
6 5YB7 ORN 3.02419
7 5YB7 FAD 3.02419
8 5F7R GLC GLC 3.71287
9 1CS4 FOK 3.77358
10 1CS4 101 3.77358
11 1NM5 NAP 3.94089
12 5NDF UDP 4.83871
13 1XNG DND 6.34328
14 4DXD GDP 7.32323
15 1W5F G2P 8.78187
Pocket No.: 2; Query (leader) PDB : 1PIG; Ligand: GLC GLC; Similar sites found with APoc: 93
This union binding pocket(no: 2) in the query (biounit: 1pig.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 2XCF BBQ 1.0101
2 3DPC HIS ALA TPO PRO PRO LYS LYS GLU ALA ASP 1.31868
3 5V49 8WA 1.41129
4 2IOY RIP 1.41343
5 4PIV NDP 1.6129
6 4I2D APC 1.75
7 1MDZ DCS 1.78117
8 1MDZ PLP 1.78117
9 4NBT NAD 2.08333
10 3V1U NAD 2.1645
11 2UUU PL3 2.21774
12 2UUU FAD 2.21774
13 1ZQ5 NAP 2.47678
14 1ZQ5 E04 2.47678
15 2PT9 2MH 2.49221
16 2PT9 S4M 2.49221
17 4G9E C4L 2.50896
18 5EJ2 NAD 2.5974
19 6CI9 NAP 2.7027
20 1ZBQ NAD 2.75229
21 2I7C AAT 2.82686
22 4GFD 0YB 2.92683
23 2IU8 UD1 2.94118
24 1U7Z PMT 3.09735
25 5DEP UD1 3.10078
26 3KEE 30B 3.15789
27 3E1T FAD 3.22581
28 1JA9 NDP 3.28467
29 1GP6 SIN 3.37079
30 1GP6 DH2 3.37079
31 1GP6 QUE 3.37079
32 1GEG NAD 3.51562
33 3F81 STT 3.82514
34 5WQP NAP 3.84615
35 1RQ2 CIT 3.9267
36 6F30 UD1 4.03226
37 4KQR VPP 4.03226
38 1O7Q UDP 4.15225
39 5W0N 2KH 4.21836
40 3ZV6 NAD 4.27046
41 3ZV6 4HB 4.27046
42 2YVK MRU 4.27807
43 3L9W AMP 4.35835
44 1XHL NDP 4.3771
45 1NYT NAP 4.42804
46 2JAH NDP 4.45344
47 2JAP NDP 4.45344
48 1N7G GDR 4.46194
49 1N1D C2G 4.65116
50 3A28 NAD 4.65116
51 5HRA DAS 4.68085
52 1XVB BHL 4.70588
53 1JQ3 AAT 4.72973
54 4IV9 FAD 4.83871
55 3C6K MTA 4.83871
56 3C6K SPD 4.83871
57 1JQ5 NAD 4.86486
58 3BNK FMN 5.10204
59 2HK9 ATR 5.45455
60 3QWI NAP 5.55556
61 3QWI CUE 5.55556
62 5JFT ACE ASP GLU VAL ASP 0QE 5.62249
63 1NFQ NAI 5.76923
64 4NBW NAD 5.83658
65 1XW6 GSH 5.9633
66 1DUG GSH 5.98291
67 2OGA PGU 6.01504
68 1XKQ NDP 6.07143
69 4PFO ADP 6.25
70 1XNG DND 6.34328
71 1O0D 163 6.56371
72 1OYT FSN 6.56371
73 1VI2 NAD 6.66667
74 1NPD NAD 6.94444
75 1DRJ RIP 7.01107
76 2J4K U5P 7.07965
77 3WXB NDP 7.52688
78 5THQ NDP 7.72059
79 2W1A TSA 7.77778
80 3TMK T5A 7.87037
81 3SUD SUE 7.88177
82 3NY4 SMX 7.92453
83 4P6X HCY 9.01961
84 4ZOH MCN 10.119
85 2C6Q NDP 10.5413
86 5ZI2 ADP 11.0145
87 4PGK Y69 11.0656
88 3AY6 NAI 11.5242
89 5XLY C2E 12.782
90 4S1B 2BA 13.964
91 2F59 INI 15.2866
92 2DYR TGL 21.2766
93 2DYS TGL 21.2766
Pocket No.: 3; Query (leader) PDB : 1PIG; Ligand: AGL GLC HMC AGL GLC BGC; Similar sites found with APoc: 93
This union binding pocket(no: 3) in the query (biounit: 1pig.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 3HQP OXL 1.6129
2 1ESW ACR 1.81452
3 2GDV BGC 1.81452
4 5DO8 BGC 2.01613
5 2G50 PYR 2.01613
6 1JS8 MAN MAN BMA 2.03046
7 2XT3 ADP 2.03488
8 4Y9T PA1 2.31214
9 4FRZ ADP 2.33161
10 3PXP MYR 2.39726
11 3AXI GLC 2.41935
12 1KC7 PPR 2.41935
13 1Q19 SSC 2.41935
14 1E4I NFG 2.46085
15 5CQG 55C 2.62097
16 5WCZ NOJ 2.82258
17 1T5C ADP 2.86533
18 4NTO 1PW 2.89855
19 3H4S ADP 2.96296
20 3Q72 GNP 3.01205
21 2Y65 ADP 3.0137
22 1P7T PYR 3.02419
23 1GJW MAL 3.02419
24 3CV2 OXL 3.02419
25 5TSH ADP 3.02419
26 4N49 MGT 3.03738
27 1BG2 ADP 3.07692
28 4L80 OXL 3.16092
29 3TTM PUT 3.17919
30 2XIB DFU 3.31126
31 3CXO 3LR 3.37349
32 5NM7 GLY 3.38346
33 2PWG CTS 3.42742
34 1JG9 GLC 3.42742
35 2F7A BEZ 3.44828
36 1F9V ADP 3.45821
37 1IZC PYR 3.53982
38 1JDC GLC GLC GLC GLC 3.7296
39 6FMC DUE 3.79747
40 3N29 GOL 3.82775
41 3EDF ACX 3.83065
42 3EDF CE6 3.83065
43 1VKJ A3P 3.85965
44 4B5W PYR 3.90625
45 5CGM MAL 4.23387
46 1VBH PEP 4.23387
47 2XZ9 PYR 4.32099
48 6C0B MLI 4.48718
49 6BS6 GLC GLC GLC GLC GLC GLC GLC 4.83871
50 6BS6 GLC GLC GLC GLC 4.83871
51 2V5K OXM 4.87805
52 6A0J GLC GLC GLC GLC 5.09554
53 1QXO EPS 5.15464
54 2VWT PYR 5.24345
55 5WS9 OXL 5.26316
56 2NUN ADP 5.26316
57 4K7O EKZ 5.35714
58 3CYI ATP 5.45455
59 3KLL MAL 5.64516
60 1NBU PH2 5.88235
61 2KIN ADP 6
62 1VB9 GLC GLC GLC GLC GLC GLC 6.45161
63 4L9Z OXL 6.65323
64 1KTC NGA 7.16049
65 3GD8 GOL 7.62332
66 1J0I GLC GLC GLC 7.8629
67 5LXB 7A9 8.26446
68 2VVG ADP 8.28571
69 3UER TUR 8.87097
70 3UER BTU 8.87097
71 3GBE NOJ 9.47581
72 3LRE ADP 9.85915
73 2ZID GLC GLC GLC 10.2823
74 4TVD BGC 10.4839
75 3CZG GLC 10.6855
76 3WY2 BGC 10.8871
77 5BRP PNG 11.0887
78 1LWJ ACG 12.2449
79 5ZCE MTT 12.2984
80 2D3N GLC GLC GLC GLC GLC GLC 14.433
81 2D3N GLC 14.433
82 2D3N GLC GLC GLC GLC 14.433
83 43CA NPO 14.5299
84 3VM7 GLC 14.6341
85 4O08 PO6 14.6417
86 8CGT TM6 14.7177
87 2FHF GLC GLC GLC GLC 16.7339
88 4HPH SUC 16.9355
89 2D5X L35 17.8082
90 2CXG GLC G6D ACI GLC 22.7823
91 1QHO ABD 32.8629
92 1UKQ GLC ACI G6D GLC 36.8952
93 3BMW GLC GLC G6D ACI GLC GLC GLC 37.5
Pocket No.: 4; Query (leader) PDB : 1PIG; Ligand: BGC; Similar sites found with APoc: 72
This union binding pocket(no: 4) in the query (biounit: 1pig.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
1 4MIB 28M 1.20968
2 1K0E TRP 1.3245
3 3CW9 AMP 1.41129
4 4DP3 NDP 1.6129
5 4DP3 MMV 1.6129
6 4UMX NAP 1.64706
7 5LHT TIH 1.70068
8 5LY1 PPI 1.83727
9 5F3I 5UJ 1.94444
10 2P5B OGA 1.98864
11 5H9Y BGC BGC BGC BGC 2.02703
12 3OPT AKG 2.14477
13 5A3T MMK 2.4948
14 4IGQ THR M3L GLN 2.5
15 4QRH 0O2 2.85714
16 1S4P MMA 2.87356
17 1S4P GDP 2.87356
18 3DLA NXX 3.02419
19 3F8K COA 3.125
20 4FE2 AIR 3.13725
21 5VSM 5AD 3.14465
22 5VSM MET 3.14465
23 4YVN EBS 3.22581
24 5FP4 YC8 3.29341
25 2F3R G5P 3.38164
26 3EEL 53T 3.52423
27 2BL9 NDP 3.78151
28 2BL9 CP6 3.78151
29 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 3.80952
30 5DEX 5E0 3.88693
31 5C5T AKG 3.94737
32 5XIO HFG 4.23387
33 1J3I NDP 4.87805
34 1J3I WRA 4.87805
35 3TAY MN0 4.90798
36 4WVO 3UZ 4.97238
37 5IVE 6E8 5.15152
38 1I1Q TRP 5.20833
39 4OR7 25U 5.45455
40 3IA4 MTX 5.55556
41 1FKB RAP 5.60748
42 3A7R LAQ 5.63798
43 1AOE NDP 5.72917
44 1AOE GW3 5.72917
45 3IX9 MTX 5.78947
46 1D9I 00P 5.90278
47 4EJ1 FOL 5.97015
48 3VET CP 6.04839
49 3VET ADP 6.04839
50 3VET TOY 6.04839
51 5YBL AKG 6.05096
52 3WGT QSC 6.05187
53 3WGT FAD 6.05187
54 4EIL FOL 6.45161
55 2FZH DH1 6.79612
56 5Z2L NDP 7.7551
57 6AIX A3P 8.46561
58 6C99 EQY 9.09091
59 3RG9 NDP 9.58333
60 3RG9 WRA 9.58333
61 4KM2 TOP 10.6145
62 4KM2 ATR 10.6145
63 2CIG 1DG 12.5786
64 5VL2 9EG 12.8788
65 1U72 NDP 13.4409
66 1U72 MTX 13.4409
67 6H39 FGY 14.6154
68 1GZF NAD 16.5877
69 2GQS C2R 21.097
70 6E48 4OA 21.2389
71 5NCF 8T5 23.0089
72 3F6R FMN 24.3243
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