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Receptor
PDB id Resolution Class Description Source Keywords
1NSZ 1.75 Å EC: 5.1.3.3 CRYSTAL STRUCTURE OF GALACTOSE MUTAROTASE FROM LACTOCOCCUS L MUTANT H170N COMPLEXED WITH GLUCOSE LACTOCOCCUS LACTIS MUTAROTASE EPIMERASE GALACTOSE METABOLISM ISOMERASE
Ref.: THE CATALYTIC MECHANISM OF GALACTOSE MUTAROTASE PROTEIN SCI. V. 12 1051 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLC A:1400;
B:2400;
Valid;
Valid;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
NA A:1401;
Part of Protein;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1NSZ 1.75 Å EC: 5.1.3.3 CRYSTAL STRUCTURE OF GALACTOSE MUTAROTASE FROM LACTOCOCCUS L MUTANT H170N COMPLEXED WITH GLUCOSE LACTOCOCCUS LACTIS MUTAROTASE EPIMERASE GALACTOSE METABOLISM ISOMERASE
Ref.: THE CATALYTIC MECHANISM OF GALACTOSE MUTAROTASE PROTEIN SCI. V. 12 1051 2003
Members (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1NS4 - BGC C6 H12 O6 C([C@@H]1[....
2 1NS8 - GLA C6 H12 O6 C([C@@H]1[....
3 1MN0 - XYS C5 H10 O5 C1[C@H]([C....
4 1NSS - BGC C6 H12 O6 C([C@@H]1[....
5 1MMY - G6D C6 H12 O5 C[C@@H]1[C....
6 1L7K - GLA C6 H12 O6 C([C@@H]1[....
7 1NS7 - BGC C6 H12 O6 C([C@@H]1[....
8 1NSM - GLA C6 H12 O6 C([C@@H]1[....
9 1MMZ - ARB C5 H10 O5 C1[C@@H]([....
10 1NSZ - GLC C6 H12 O6 C([C@@H]1[....
11 1NSR - BGC C6 H12 O6 C([C@@H]1[....
12 1NSU - GLA C6 H12 O6 C([C@@H]1[....
13 1NS0 - GLA C6 H12 O6 C([C@@H]1[....
14 1NSX - GAL C6 H12 O6 C([C@@H]1[....
15 1MMX - FUC C6 H12 O5 C[C@H]1[C@....
16 1NS2 - GAL C6 H12 O6 C([C@@H]1[....
17 1MMU - BGC C6 H12 O6 C([C@@H]1[....
18 1NSV - BGC C6 H12 O6 C([C@@H]1[....
70% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1NS4 - BGC C6 H12 O6 C([C@@H]1[....
2 1NS8 - GLA C6 H12 O6 C([C@@H]1[....
3 1MN0 - XYS C5 H10 O5 C1[C@H]([C....
4 1NSS - BGC C6 H12 O6 C([C@@H]1[....
5 1MMY - G6D C6 H12 O5 C[C@@H]1[C....
6 1L7K - GLA C6 H12 O6 C([C@@H]1[....
7 1NS7 - BGC C6 H12 O6 C([C@@H]1[....
8 1NSM - GLA C6 H12 O6 C([C@@H]1[....
9 1MMZ - ARB C5 H10 O5 C1[C@@H]([....
10 1NSZ - GLC C6 H12 O6 C([C@@H]1[....
11 1NSR - BGC C6 H12 O6 C([C@@H]1[....
12 1NSU - GLA C6 H12 O6 C([C@@H]1[....
13 1NS0 - GLA C6 H12 O6 C([C@@H]1[....
14 1NSX - GAL C6 H12 O6 C([C@@H]1[....
15 1MMX - FUC C6 H12 O5 C[C@H]1[C@....
16 1NS2 - GAL C6 H12 O6 C([C@@H]1[....
17 1MMU - BGC C6 H12 O6 C([C@@H]1[....
18 1NSV - BGC C6 H12 O6 C([C@@H]1[....
50% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1NS4 - BGC C6 H12 O6 C([C@@H]1[....
2 1NS8 - GLA C6 H12 O6 C([C@@H]1[....
3 1MN0 - XYS C5 H10 O5 C1[C@H]([C....
4 1NSS - BGC C6 H12 O6 C([C@@H]1[....
5 1MMY - G6D C6 H12 O5 C[C@@H]1[C....
6 1L7K - GLA C6 H12 O6 C([C@@H]1[....
7 1NS7 - BGC C6 H12 O6 C([C@@H]1[....
8 1NSM - GLA C6 H12 O6 C([C@@H]1[....
9 1MMZ - ARB C5 H10 O5 C1[C@@H]([....
10 1NSZ - GLC C6 H12 O6 C([C@@H]1[....
11 1NSR - BGC C6 H12 O6 C([C@@H]1[....
12 1NSU - GLA C6 H12 O6 C([C@@H]1[....
13 1NS0 - GLA C6 H12 O6 C([C@@H]1[....
14 1NSX - GAL C6 H12 O6 C([C@@H]1[....
15 1MMX - FUC C6 H12 O5 C[C@H]1[C@....
16 1NS2 - GAL C6 H12 O6 C([C@@H]1[....
17 1MMU - BGC C6 H12 O6 C([C@@H]1[....
18 1NSV - BGC C6 H12 O6 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 : 1NSZ; Ligand: GLC; Similar sites found with APoc: 75
This union binding pocket(no: 1) in the query (biounit: 1nsz.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 5ML3 DL3 None
2 1GQG DCD 1.72911
3 2XG9 NOJ GLC 2.01729
4 2Y7G AAE 2.12766
5 3STK PLM 2.27273
6 4O9S 2RY 2.32558
7 1ZB6 DIN 2.60586
8 4ZSI GLP 2.92398
9 3FC2 IBI 2.98507
10 3NZ1 3NY 3.06513
11 5UI2 EQ3 3.15457
12 4P8K FAD 3.17003
13 4P8K 38C 3.17003
14 3NJ4 AFX 3.17003
15 1QM5 GLC GLC GLC PO4 SGC GLC 3.17003
16 1VA6 ADP 3.45821
17 1VA6 P2S 3.45821
18 3DR4 G4M 3.45821
19 5YF1 8V0 3.45821
20 2OAZ I96 3.45821
21 2Z77 HE7 3.59712
22 1ZM1 BGC BGC BGC 3.73444
23 5XEG AKG 3.8961
24 1VEM GLC GLC 4.03458
25 3STD MQ0 4.24242
26 5NLD LBT 4.31655
27 3QP8 HL0 4.34783
28 4RFR RHN 4.4335
29 1N5S ADL 4.46429
30 5FYR INS 4.69799
31 3HAZ FAD 4.89914
32 4IYO 0JO 4.89914
33 2HFP NSI 4.96454
34 4BVA T3 5.07463
35 5LJB RTL 5.18518
36 2IFB PLM 5.34351
37 2VFT SOR 5.4755
38 3ETH ATP 5.4755
39 4ANP 3QI 5.55556
40 3BEO UD1 5.76369
41 5DRB 5FJ 5.84192
42 5HZ9 5M8 5.92593
43 4XBA GMP 6
44 1OLM VTQ 6.05187
45 1V8B ADN 6.34006
46 1C1L GAL BGC 6.56934
47 4JNJ BTN 6.95652
48 5GLT BGC GAL NAG GAL 7.04225
49 4HWS 1B3 7.20461
50 1XPK HMG 7.78098
51 1D5Z ACE ALC ARG ALA ODA SER LEU NH2 7.8125
52 5ODQ 9SB 7.85714
53 4K55 H6P 8.06452
54 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 8.16327
55 2R5V HHH 8.35735
56 3N0Y APC 8.37989
57 4PMZ BXP 9.24092
58 1U0A BGC BGC BGC BGC 9.34579
59 4PSB GA3 9.67742
60 2E56 MYR 9.72222
61 5N2D 8J8 9.72222
62 5LXB 7A9 9.91736
63 5K21 6QF 12.0567
64 2CIR BG6 12.4579
65 1T9M FMN 12.6168
66 2YKL NLD 13.2075
67 4HMT NNV 13.7778
68 5U98 1KX 14.1414
69 4RYV ZEA 14.1935
70 5BVB DOG 14.3939
71 5EZU MYR 14.6067
72 1ULE GLA GAL NAG 19.3333
73 3VMG 9CA 20
74 5FKP 6UL 31.8182
75 1Z45 GAL 44.0922
Pocket No.: 2; Query (leader) PDB : 1NSZ; Ligand: GLC; Similar sites found with APoc: 16
This union binding pocket(no: 2) in the query (biounit: 1nsz.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 3C3N FMN 1.92308
2 2FNU PMP UD1 2.01729
3 5HGR 45D 2.15385
4 4R6W PC 2.71318
5 4R6W SAH 2.71318
6 2ZRU FMN 2.71739
7 2O07 MTA 2.96053
8 2O07 SPD 2.96053
9 5XFV FMN 3.29341
10 6AZQ C5J 4.58015
11 3UMV FAD 4.61095
12 6FOF LAT 5.61225
13 5NIU 8YZ 10.9375
14 2ADA HPR 11.8156
15 3RUG DB6 12.1212
16 1LFO OLA 15.625
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