-->
Receptor
PDB id Resolution Class Description Source Keywords
4LFL 1.65 Å EC: 5.3.1.26 CRYSTAL STRUCTURE OF D-GALACTOSE-6-PHOSPHATE ISOMERASE IN CO D-TAGATOSE-6-PHOSPHATE LACTOBACILLUS RHAMNOSUS ROSSMANN-LIKE ALPHA-BETA-ALPHA SANDWICH FOLD ROSSMANN FOLDISOMERASE SUGAR-PHOSPHATE BINDING ISOMERIZATION
Ref.: CRYSTAL STRUCTURE AND SUBSTRATE SPECIFICITY OF D-GALACTOSE-6-PHOSPHATE ISOMERASE COMPLEXED WITH SU PLOS ONE V. 8 72902 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TG6 B:201;
D:201;
Valid;
Valid;
none;
none;
submit data
260.136 C6 H13 O9 P C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4LFL 1.65 Å EC: 5.3.1.26 CRYSTAL STRUCTURE OF D-GALACTOSE-6-PHOSPHATE ISOMERASE IN CO D-TAGATOSE-6-PHOSPHATE LACTOBACILLUS RHAMNOSUS ROSSMANN-LIKE ALPHA-BETA-ALPHA SANDWICH FOLD ROSSMANN FOLDISOMERASE SUGAR-PHOSPHATE BINDING ISOMERIZATION
Ref.: CRYSTAL STRUCTURE AND SUBSTRATE SPECIFICITY OF D-GALACTOSE-6-PHOSPHATE ISOMERASE COMPLEXED WITH SU PLOS ONE V. 8 72902 2013
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4LFM - PSJ C6 H12 O6 C([C@H]([C....
2 4LFN - RBL C5 H10 O5 C([C@H]([C....
3 4LFL - TG6 C6 H13 O9 P C([C@H]([C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4LFM - PSJ C6 H12 O6 C([C@H]([C....
2 4LFN - RBL C5 H10 O5 C([C@H]([C....
3 4LFL - TG6 C6 H13 O9 P C([C@H]([C....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4LFM - PSJ C6 H12 O6 C([C@H]([C....
2 4LFN - RBL C5 H10 O5 C([C@H]([C....
3 4LFL - TG6 C6 H13 O9 P C([C@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TG6; Similar ligands found: 50
No: Ligand ECFP6 Tc MDL keys Tc
1 TG6 1 1
2 F6R 1 1
3 I22 0.74359 1
4 2FP 0.7 0.971429
5 P6F 0.7 0.971429
6 P6T 0.7 0.971429
7 5SP 0.641026 0.972222
8 PA5 0.641026 0.916667
9 R10 0.641026 0.916667
10 HMS 0.641026 0.972222
11 5RP 0.641026 0.972222
12 PAN 0.581395 0.6875
13 9C2 0.568182 0.673469
14 GOS 0.555556 0.942857
15 M2P 0.555556 0.942857
16 LG6 0.534884 0.916667
17 6PG 0.534884 0.916667
18 TAG 0.5 0.628571
19 KD0 0.5 0.916667
20 DX5 0.5 0.916667
21 LPK 0.5 0.628571
22 A5P 0.5 0.916667
23 PSJ 0.5 0.628571
24 LXP 0.5 0.916667
25 LX1 0.5 0.837838
26 SOL 0.5 0.628571
27 SDD 0.5 0.628571
28 FUD 0.5 0.628571
29 DER 0.487805 0.916667
30 DEZ 0.487805 0.916667
31 S6P 0.487805 0.942857
32 RUB 0.477273 0.916667
33 XBP 0.477273 0.916667
34 DXP 0.47619 0.837838
35 TX4 0.465116 0.645833
36 R5P 0.465116 0.942857
37 R52 0.465116 0.942857
38 DG6 0.465116 0.891892
39 HG3 0.459459 0.805556
40 52L 0.44898 0.702128
41 G6Q 0.444444 0.942857
42 M6R 0.444444 0.767442
43 RES 0.444444 0.6875
44 AGP 0.444444 0.767442
45 4TP 0.431818 0.767442
46 FQ8 0.425532 0.944444
47 LRY 0.423077 0.733333
48 H4P 0.42 0.790698
49 1NT 0.407407 0.916667
50 E4P 0.404762 0.885714
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4LFL; Ligand: TG6; Similar sites found with APoc: 145
This union binding pocket(no: 1) in the query (biounit: 4lfl.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 6BYF CIT 1.76471
2 2R42 FPS 2.32558
3 6F5W KG1 2.32558
4 4CSD MFU 2.32558
5 3CTL S6P 3.48837
6 1WD4 AHR 3.48837
7 2BNF UTP 3.48837
8 4UTG ANP 3.7037
9 4QC6 30N 3.7037
10 6EQS BV8 4.06977
11 3BP1 GUN 4.32099
12 2WTX UDP 4.32099
13 2WTX VDO 4.32099
14 5C9P FUC 4.32099
15 5EF7 5OJ 4.32099
16 6F7X MFU 4.44444
17 2X2T GAL NGA 4.57516
18 2BNE U5P 4.65116
19 1BZY IMU 4.93827
20 4GE6 B26 4.93827
21 5IDM ANP 4.93827
22 3DGY 2GP 5.15464
23 5GVR LMR 5.23256
24 5M60 BGC 5.55556
25 3ZNR NU9 5.55556
26 1H74 ADP 5.81395
27 1O5O U5P 5.81395
28 1KQN NAD 5.81395
29 1U26 IHS 5.81395
30 2IMG MLT 5.96026
31 4WOH 4NP 6.17284
32 1FEC FAD 6.17284
33 1QF5 GDP 6.17284
34 1QF5 RPL 6.17284
35 2JJK R15 6.17284
36 3KC1 2T6 6.17284
37 4CRZ ACO 6.17284
38 1RGE 2GP 6.25
39 3K0T BGC 6.29371
40 2OG2 MLI 6.39535
41 3B9Q MLI 6.39535
42 2Q4W FAD 6.39535
43 2Q3O FMN 6.39535
44 5USZ SKE 6.39535
45 6CI9 F3V 6.39535
46 4D1J DGJ 6.79012
47 1DQN IMU 6.79012
48 6AM8 PLT 6.97674
49 6AMI TRP 6.97674
50 1T3D CYS 6.97674
51 1W78 ADP 6.97674
52 6AM8 TRP 6.97674
53 3AWJ COA 6.97674
54 2Q4V ACO 7.05882
55 3LN9 FLC 7.19424
56 6CS9 PIO 7.31707
57 1V0C KNC 7.40741
58 1V0C ACO 7.40741
59 3HDY FAD 7.40741
60 3HDY GDU 7.40741
61 3HDY FDA 7.40741
62 1TD2 PXL 7.40741
63 2HQM FAD 7.40741
64 4L1F FAD 7.40741
65 3A4V PYR 7.40741
66 3A4V NAD 7.40741
67 1T3Q MCN 7.55814
68 6C2Z P1T 8.13953
69 1ZGS XMM 8.13953
70 4P83 U5P 8.13953
71 1WWZ ACO 8.1761
72 2RGX AP5 8.64198
73 5N6N SUC 8.64198
74 4KCT FDP 8.64198
75 5GWT NAD 8.64198
76 5GWT SIN 8.64198
77 3F81 STT 8.72093
78 1RRC ADP 8.72093
79 4KYQ FLC 8.72093
80 2PHN GDP 8.72093
81 3QH2 3NM 8.72093
82 3UDG TMP 8.72093
83 2JBH 5GP 8.72093
84 1BZL FAD 9.25926
85 1IWE IMP 9.30233
86 5WS9 AMP 9.30233
87 1XCL SAH 9.3617
88 2CNT COA 9.375
89 4X8O AP5 9.87654
90 3O5X JZG 9.87654
91 1U7Z PMT 9.88372
92 1OFZ FUC 9.88372
93 3GE7 AFQ 9.88372
94 1OHE ACE ALA SEP PRO 10.4651
95 3VPB GLU 10.4651
96 1JG3 ADN 10.4651
97 1N62 MCN 10.4938
98 4WCX MET 11.0465
99 2ZUX RAM 11.0465
100 1PA9 CSN 11.6279
101 2Q8M AMP 11.7284
102 1US5 GLU 11.7284
103 2A2C NG1 12.3457
104 2A2C ADP 12.3457
105 3OZG SSI 12.3457
106 3ZEI AWH 12.5806
107 5KVA SAM 12.7907
108 2AWN ADP 12.7907
109 3RGQ 5P5 12.8205
110 3SXN COA 12.963
111 1T7Q COA 12.963
112 1T7Q 152 12.963
113 4U9W COA 12.963
114 3VHH VHH 13.0081
115 4AVB ACO 13.5802
116 3PVW QRX 13.5802
117 3QFA FAD 13.5802
118 2FXU ATP 13.5802
119 2OZ5 7XY 13.5802
120 2D1K ATP 13.5802
121 1FFU CDP 13.9535
122 4IYO 0JO 14.1975
123 4IY7 KOU 14.1975
124 4IY7 0JO 14.1975
125 1S3G AP5 14.5349
126 1W62 PYC 14.5349
127 5A89 FMN 15.4321
128 5A89 ADP 15.4321
129 1I1D 16G 15.528
130 1I1D COA 15.528
131 2AJ4 ANP 16.0494
132 5TCI MLI 16.2791
133 3CIP ATP 16.6667
134 5LS7 ACO 17.0732
135 3HQP FDP 17.4419
136 3TLJ SAH 18.0233
137 1ZIN AP5 19.1358
138 4MKF AP5 19.1358
139 4NU0 AP5 19.186
140 5G41 AP5 19.7531
141 1ZSQ PIB 23.2558
142 5YSZ CBI 23.4568
143 4BQS K2Q 24.4186
144 2CZL TLA 27.3256
145 2BES RES 43.8272
Pocket No.: 2; Query (leader) PDB : 4LFL; Ligand: TG6; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4lfl.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4LFL; Ligand: TG6; Similar sites found with APoc: 27
This union binding pocket(no: 3) in the query (biounit: 4lfl.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 2Y9G LAT 3.33333
2 2Y9G LBT 3.33333
3 1EWF PC1 4.06977
4 5XH2 NPO 5.55556
5 4M5P MLA 5.55556
6 1Q9I FAD 6.79012
7 1Q9I TEO 6.79012
8 2DTX BMA 7.40741
9 4Z87 5GP 7.40741
10 1G55 SAH 8.02469
11 4K90 MLA 8.02469
12 2J9D ADP 8.40336
13 5HV7 RBL 8.64198
14 1Q19 APC 8.64198
15 3PFD FDA 9.30233
16 2PD4 NAD 10.4938
17 2PD4 DCN 10.4938
18 2GMH FAD 11.0465
19 1QF9 ADP 11.3402
20 1QF9 C5P 11.3402
21 1QF9 ALF 11.3402
22 2Q1W NAD 12.963
23 1IG3 VIB 13.5802
24 1RJ9 GCP 14.8148
25 4A59 AMP 15.1163
26 3DR4 G4M 16.2791
27 2D3M COA 19.186
Pocket No.: 4; Query (leader) PDB : 4LFL; Ligand: TG6; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4lfl.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback