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Receptor
PDB id Resolution Class Description Source Keywords
1JG9 1.66 Å EC: 2.4.1.4 CRYSTAL STRUCTURE OF AMYLOSUCRASE FROM NEISSERIA POLYSACCHAREA IN COMPLEX WITH D-GLUCOSE NEISSERIA POLYSACCHAREA D-GLUCOSE COMPLEX TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF AMYLOSUCRASE FROM NEISSERIA POLYSACCHAREA IN COMPLEX WITH D-GLUCOSE AND THE ACTIVE SITE MUTANT GLU328GLN IN COMPLEX WITH THE NATURAL SUBSTRATE SUCROSE. BIOCHEMISTRY V. 40 9032 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLC A:2000;
A:2001;
A:2002;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1JG9 1.66 Å EC: 2.4.1.4 CRYSTAL STRUCTURE OF AMYLOSUCRASE FROM NEISSERIA POLYSACCHAREA IN COMPLEX WITH D-GLUCOSE NEISSERIA POLYSACCHAREA D-GLUCOSE COMPLEX TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF AMYLOSUCRASE FROM NEISSERIA POLYSACCHAREA IN COMPLEX WITH D-GLUCOSE AND THE ACTIVE SITE MUTANT GLU328GLN IN COMPLEX WITH THE NATURAL SUBSTRATE SUCROSE. BIOCHEMISTRY V. 40 9032 2001
Members (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1MW3 - SUC C12 H22 O11 C([C@@H]1[....
2 1MW2 - SUC C12 H22 O11 C([C@@H]1[....
3 1MVY - GLC GLC GLC GLC n/a n/a
4 4FLS - SUC C12 H22 O11 C([C@@H]1[....
5 1MW0 - GLC GLC GLC GLC GLC GLC GLC n/a n/a
6 1JGI - SUC C12 H22 O11 C([C@@H]1[....
7 1ZS2 - GLC GLC GLC GLC n/a n/a
8 1JG9 - GLC C6 H12 O6 C([C@@H]1[....
9 3UEQ - OTU C12 H22 O11 C([C@@H]1[....
10 1MW1 - SUC C12 H22 O11 C([C@@H]1[....
11 5N7J - SUC C12 H22 O11 C([C@@H]1[....
70% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1MW3 - SUC C12 H22 O11 C([C@@H]1[....
2 1MW2 - SUC C12 H22 O11 C([C@@H]1[....
3 1MVY - GLC GLC GLC GLC n/a n/a
4 4FLS - SUC C12 H22 O11 C([C@@H]1[....
5 1MW0 - GLC GLC GLC GLC GLC GLC GLC n/a n/a
6 1JGI - SUC C12 H22 O11 C([C@@H]1[....
7 1ZS2 - GLC GLC GLC GLC n/a n/a
8 1JG9 - GLC C6 H12 O6 C([C@@H]1[....
9 3UEQ - OTU C12 H22 O11 C([C@@H]1[....
10 1MW1 - SUC C12 H22 O11 C([C@@H]1[....
11 5N7J - SUC C12 H22 O11 C([C@@H]1[....
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1MW3 - SUC C12 H22 O11 C([C@@H]1[....
2 1MW2 - SUC C12 H22 O11 C([C@@H]1[....
3 1MVY - GLC GLC GLC GLC n/a n/a
4 4FLS - SUC C12 H22 O11 C([C@@H]1[....
5 1MW0 - GLC GLC GLC GLC GLC GLC GLC n/a n/a
6 1JGI - SUC C12 H22 O11 C([C@@H]1[....
7 1ZS2 - GLC GLC GLC GLC n/a n/a
8 1JG9 - GLC C6 H12 O6 C([C@@H]1[....
9 3UEQ - OTU C12 H22 O11 C([C@@H]1[....
10 1MW1 - SUC C12 H22 O11 C([C@@H]1[....
11 5N7J - SUC C12 H22 O11 C([C@@H]1[....
12 3CZG - GLC C6 H12 O6 C([C@@H]1[....
13 3CZL - GLC C6 H12 O6 C([C@@H]1[....
14 3UER - TUR C12 H22 O11 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC; Similar ligands found: 142
No: Ligand ECFP6 Tc MDL keys Tc
1 WOO 1 1
2 GLC 1 1
3 BGC 1 1
4 ALL 1 1
5 BMA 1 1
6 GXL 1 1
7 GIV 1 1
8 GAL 1 1
9 MAN 1 1
10 GLA 1 1
11 Z6J 0.653846 0.866667
12 32O 0.653846 0.866667
13 RIB 0.653846 0.866667
14 FUB 0.653846 0.866667
15 AHR 0.653846 0.866667
16 MLB 0.511628 0.848485
17 GLC GLC 0.511628 0.848485
18 BGC GLC 0.511628 0.848485
19 BGC GLA 0.511628 0.848485
20 GLA BMA 0.511628 0.848485
21 MAN BMA 0.511628 0.848485
22 BMA GLA 0.511628 0.848485
23 GLA BGC 0.511628 0.848485
24 MAN MAN 0.511628 0.848485
25 GLA GLC 0.511628 0.848485
26 BMA MAN 0.511628 0.848485
27 GAL GLC 0.511628 0.848485
28 GAL GAL 0.511628 0.848485
29 LAK 0.511628 0.848485
30 GLC BGC 0.511628 0.848485
31 YDR 0.5 0.8
32 GLC GLC GLC GLC BGC 0.488889 0.848485
33 GLC GLC GLC 0.488889 0.848485
34 MAN MAN MAN 0.488889 0.848485
35 BMA MAN MAN 0.488889 0.848485
36 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
37 EMZ 0.472222 0.794118
38 BG6 0.461538 0.675
39 BGP 0.461538 0.675
40 G6P 0.461538 0.675
41 M6P 0.461538 0.675
42 M6D 0.461538 0.675
43 A6P 0.461538 0.675
44 GAF 0.457143 0.875
45 SHG 0.457143 0.875
46 2FG 0.457143 0.875
47 G2F 0.457143 0.875
48 2H5 0.457143 0.875
49 GCS 0.457143 0.777778
50 1GN 0.457143 0.777778
51 X6X 0.457143 0.777778
52 PA1 0.457143 0.777778
53 95Z 0.457143 0.777778
54 G3F 0.457143 0.875
55 NGR 0.454545 0.848485
56 MAL 0.454545 0.848485
57 MAN GLC 0.454545 0.848485
58 GAL BGC 0.454545 0.848485
59 GLA GLA 0.454545 0.848485
60 BGC BMA 0.454545 0.848485
61 M3M 0.454545 0.848485
62 GLA GAL 0.454545 0.848485
63 MAB 0.454545 0.848485
64 GLC GAL 0.454545 0.848485
65 B2G 0.454545 0.848485
66 LBT 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 LAT 0.454545 0.848485
69 BGC GAL 0.454545 0.848485
70 CBI 0.454545 0.848485
71 CBK 0.454545 0.848485
72 N9S 0.454545 0.848485
73 LB2 0.454545 0.848485
74 3MG 0.444444 0.875
75 TCB 0.444444 0.8
76 GLC SGC 0.444444 0.8
77 YIO 0.441176 0.870968
78 2GS 0.432432 0.875
79 2M4 0.431818 0.848485
80 AHR AHR 0.428571 0.764706
81 GLF 0.428571 0.84375
82 FUB AHR 0.428571 0.764706
83 MAN BMA BMA 0.416667 0.848485
84 BMA MAN BMA 0.416667 0.848485
85 CTR 0.416667 0.848485
86 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
87 GLA GAL BGC 0.416667 0.848485
88 CE5 0.416667 0.848485
89 MLR 0.416667 0.848485
90 CE6 0.416667 0.848485
91 MT7 0.416667 0.848485
92 BMA BMA BMA 0.416667 0.848485
93 GLC BGC BGC BGC BGC 0.416667 0.848485
94 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
95 BGC BGC BGC BGC BGC 0.416667 0.848485
96 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
97 BGC GLC GLC 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 MAN BMA BMA BMA BMA 0.416667 0.848485
100 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
101 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
102 MAN BMA BMA BMA BMA BMA 0.416667 0.848485
103 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 CTT 0.416667 0.848485
107 GLA GAL GLC 0.416667 0.848485
108 MTT 0.416667 0.848485
109 GLC BGC BGC BGC 0.416667 0.848485
110 GLC GLC BGC 0.416667 0.848485
111 CEY 0.416667 0.848485
112 B4G 0.416667 0.848485
113 CE8 0.416667 0.848485
114 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
115 GAL FUC 0.416667 0.848485
116 DXI 0.416667 0.848485
117 GLC BGC GLC 0.416667 0.848485
118 CT3 0.416667 0.848485
119 GAL GAL GAL 0.416667 0.848485
120 GLC GLC GLC GLC GLC 0.416667 0.848485
121 BGC BGC BGC BGC 0.416667 0.848485
122 BGC BGC BGC 0.416667 0.848485
123 BGC BGC GLC 0.416667 0.848485
124 CEX 0.416667 0.848485
125 GLC GAL GAL 0.416667 0.848485
126 BGC GLC GLC GLC GLC 0.416667 0.848485
127 GLC BGC BGC 0.416667 0.848485
128 GS1 GLC GS1 0.408163 0.8
129 SGC SGC BGC 0.408163 0.8
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 TRE 0.405405 0.848485
135 NDG 0.404762 0.7
136 NGA 0.404762 0.7
137 NAG 0.404762 0.7
138 HSQ 0.404762 0.7
139 A2G 0.404762 0.7
140 BM3 0.404762 0.7
141 FUB AHR AHR 0.4 0.764706
142 AHR AHR AHR AHR AHR AHR 0.4 0.764706
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1JG9; Ligand: GLC; Similar sites found with APoc: 4
This union binding pocket(no: 1) in the query (biounit: 1jg9.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 4Y4V DAL 2.94985
2 5H4S RAM 4.57746
3 2G50 ALA 7.73585
4 5T46 MGP 15.1515
Pocket No.: 2; Query (leader) PDB : 1JG9; Ligand: GLC; Similar sites found with APoc: 114
This union binding pocket(no: 2) in the query (biounit: 1jg9.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 4F97 VDO 1.40845
2 5TUF FAD 1.46699
3 5N9X 8QN 1.51229
4 1HFU NAG NDG 1.78926
5 3KO8 NAD 1.92308
6 3C5E ATP 1.92982
7 5CUO COA 1.9802
8 3RS8 ALA TRP LEU PHE GLU ALA 1.99203
9 1JQ3 AAT 2.02703
10 5UQW GDP 2.1164
11 4ZRN NAD 2.24359
12 3OIG NAD 2.25564
13 1GY8 NAD 2.267
14 2WTX UDP 2.32068
15 2WTX VDO 2.32068
16 1CLU DBG 2.40964
17 1FEC FAD 2.44898
18 1BZL FAD 2.46914
19 4C5N ACP 2.53623
20 4C5N PXL 2.53623
21 2E4G TRP 2.54545
22 2WKV COA 2.55102
23 1NJJ GET 2.58824
24 2WSI FAD 2.61438
25 5IE3 OXD 2.72374
26 5IE3 AMP 2.72374
27 5FAL SKT 2.90179
28 5FAL COA 2.90179
29 3WVR AMP 2.90828
30 5ZCT ANP 2.94118
31 4GIM PSU 2.98507
32 2Q1W NAD 3.003
33 2A8X FAD 3.01724
34 3LU1 NAD 3.02198
35 5YK1 ANP 3.09735
36 4UYW H1S 3.13316
37 6HSJ COA 3.1401
38 6HSP CO8 3.1401
39 6C0T EE4 3.17003
40 4OOE NDP 3.21782
41 3G6K FAD 3.24675
42 3G6K POP 3.24675
43 2GU8 796 3.2641
44 5I35 ANP 3.30789
45 3QWI CUE 3.33333
46 1T36 ADP 3.40314
47 4POJ 2VP 3.4632
48 6CI9 NAP 3.4749
49 4E70 N7I 3.60825
50 5I7S E9P 3.62319
51 5I7S NAD 3.62319
52 4PIV NDP 3.66242
53 3BIY 01K 3.68421
54 3ZOK NAD 3.7037
55 1RZ1 FAD 3.72671
56 1RZ0 FAD 3.72671
57 4BUY F37 3.75
58 6BJB 1VU 3.81679
59 2I7C AAT 3.88693
60 2PHN GDP 3.93701
61 1N0U SO1 3.98089
62 1JQN DCO 3.98089
63 2PD4 DCN 4
64 2PD4 NAD 4
65 4BUZ NAD 4.06504
66 4BUZ OAD 4.06504
67 4GLL NAD 4.1543
68 2E56 MYR 4.16667
69 5M1T C2E 4.27046
70 3K87 FAD 4.32432
71 6ASZ GLN THR ALA ARG M3L SER 4.34783
72 3I7V B4P 4.47761
73 2YPO PHE 4.54545
74 2HKA C3S 4.61538
75 2ZAT NAP 4.61538
76 2CER PGI 4.70348
77 2QZZ EMF 4.71698
78 2QZZ NAP 4.71698
79 1J5P NAD 4.74308
80 1RDS GPC 4.7619
81 3UYK 0CX 5.16796
82 3H4L ANP 5.17711
83 1M48 FRG 5.26316
84 4A6D SAM 5.66572
85 2JAH NDP 5.66802
86 3KH5 ADP 5.71429
87 3KH5 AMP 5.71429
88 5WGR PM7 5.73248
89 5NWD 9C8 6.12245
90 4O4K 2PK 6.25
91 3GE7 AFQ 6.47668
92 4KQL 1SG 7.01754
93 3QV1 NAD 7.31707
94 3AXX CBI 7.42358
95 4XSU GLC 7.47423
96 4XSU UDP 7.47423
97 3C1O NAP 7.47664
98 1RGE 2GP 8.33333
99 1L6O SER LEU LYS LEU MET THR THR VAL 8.42105
100 1NME 159 8.69565
101 3UG4 AHR 8.92857
102 5AVF TAU 8.94942
103 4G17 0VN 9.09091
104 5KWY C3S 9.7166
105 3EMY IVA VAL VAL STA ALA STA 10.3343
106 3ZW2 GLA NAG GAL FUC 11.4943
107 3UR0 SVR 11.6505
108 5ECP MET 12.1076
109 5ECP JAA 12.1076
110 1T8U UAP SGN IDS SGN 12.1324
111 5KK4 44E 12.5
112 3VPB ADP 17.8571
113 1RNT 2GP 23.0769
114 3LQV ADE 33.3333
Pocket No.: 3; Query (leader) PDB : 1JG9; Ligand: GLC; Similar sites found with APoc: 85
This union binding pocket(no: 3) in the query (biounit: 1jg9.bio1) has 46 residues
No: Leader PDB Ligand Sequence Similarity
1 1C7S CBS 0.796178
2 1XF1 CIT 1.59236
3 1WKM MET 1.69492
4 1F9V ADP 1.72911
5 2Z49 AMG 2.08333
6 1CT9 AMP 2.16998
7 1QFT HSM 2.28571
8 5WXU FLC 2.50522
9 1X9D SMD 2.60223
10 6I6X TLA 2.71132
11 6GN6 MAL 2.90828
12 5X7Q GLC GLC GLC 3.02548
13 5X7Q GLC GLC GLC GLC 3.02548
14 1TUU ADP 3.25815
15 1TUU AMP 3.25815
16 1PIG AGL GLC HMC AGL GLC BGC 3.42742
17 2H6B 3C4 3.6
18 5F7U GLC GLC 3.66242
19 2BP1 FLC 3.88889
20 2P69 PLP 3.92157
21 2HRL SIA GAL SIA BGC NGA CEQ 3.93701
22 1G94 DAF GLC DAF GLC GLC 4.01786
23 4U31 MVP 4.14013
24 3SE5 ANP 4.26829
25 3EKI TPP 4.4665
26 1ESW ACR 4.6
27 1TL2 NDG 5.08475
28 4TVD BGC 5.25478
29 1JDC GLC GLC GLC GLC 5.36131
30 4S3R 7SA 5.41401
31 3KLL MAL 5.73248
32 4WCX MET 6.04167
33 2FB3 MET 6.17647
34 2FB3 5AD 6.17647
35 3S5W ONH 6.2635
36 4A59 AMP 6.38298
37 5WHU SIA 6.71141
38 1ZL9 GSH 6.76329
39 1UH4 GLC GLC GLC 7.32484
40 1PVC ILE SER GLU VAL 7.35294
41 3ITJ CIT 7.39645
42 5ME4 HP4 7.66423
43 2C91 TLA 7.69231
44 3VM7 GLC 8.13008
45 1VB9 GLC GLC GLC GLC GLC GLC 8.20513
46 1J0I GLC GLC GLC 8.33333
47 3WRB GDE 8.37321
48 3BC9 G6D GLC ACI GLD GLC ACI GLD GLC BGC 8.51419
49 6BS6 GLC GLC GLC GLC GLC GLC GLC 8.59873
50 6BS6 GLC GLC GLC GLC 8.59873
51 2FHF GLC GLC GLC GLC 8.59873
52 1UA7 ACI GLD GLC ACI G6D BGC 9.00474
53 4UMJ BFQ 9.12162
54 4W93 3L9 9.47581
55 6A0J GLC GLC GLC GLC 9.55414
56 1GJW MAL 9.55414
57 4IF4 BEF 9.61539
58 5A2B MAL 9.85915
59 2D3N GLC 9.89691
60 5Y4R C2E 11.0345
61 3EDF ACX 11.3057
62 3EDF CE6 11.3057
63 3KCG NTP 11.8644
64 3KIF GDL 12.2642
65 3BMW GLC GLC G6D ACI GLC GLC GLC 13.2166
66 1QHO ABD 13.3758
67 8CGT TM6 13.3758
68 2CXG GLC G6D ACI GLC 14.172
69 1UKQ GLC ACI G6D GLC 14.4904
70 3GBE NOJ 15.7706
71 3AXI GLC 15.7895
72 5Y02 MXN 15.8879
73 4HPH SUC 16.1002
74 5DO8 BGC 16.5766
75 5BRP PNG 17.0775
76 3WY2 BGC 17.1004
77 3THR C2F 17.4061
78 5WCZ NOJ 17.5768
79 2ZID GLC GLC GLC 17.8637
80 5ZCE MTT 18.5586
81 2GDV BGC 18.6508
82 4E2O ACI G6D GLC ACI G6D BGC 20.0441
83 5C2N NAG 20.8333
84 1LWJ ACG 21.3152
85 2PWG CTS 39.2086
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