Receptor
PDB id Resolution Class Description Source Keywords
4AMV 2.05 Å EC: 2.6.1.16 E.COLI GLUCOSAMINE-6P SYNTHASE IN COMPLEX WITH FRUCTOSE-6P ESCHERICHIA COLI TRANSFERASE AMMONIA CHANNELING GLUCOSAMINE 6- PHOSPHATE SYN TERMINAL NUCLEOPHILE GLUTAMINE AMIDOTRANSFERASE
Ref.: GLUTAMINE BINDING OPENS THE AMMONIA CHANNEL AND ACT GLUCOSAMINE-6P SYNTHASE J.BIOL.CHEM. V. 281 4404 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
F6R B:1609;
C:1609;
A:1609;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
260.136 C6 H13 O9 P C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4AMV 2.05 Å EC: 2.6.1.16 E.COLI GLUCOSAMINE-6P SYNTHASE IN COMPLEX WITH FRUCTOSE-6P ESCHERICHIA COLI TRANSFERASE AMMONIA CHANNELING GLUCOSAMINE 6- PHOSPHATE SYN TERMINAL NUCLEOPHILE GLUTAMINE AMIDOTRANSFERASE
Ref.: GLUTAMINE BINDING OPENS THE AMMONIA CHANNEL AND ACT GLUCOSAMINE-6P SYNTHASE J.BIOL.CHEM. V. 281 4404 2006
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 4AMV - F6R C6 H13 O9 P C([C@H]([C....
2 2J6H - G6Q C6 H13 O9 P C([C@H]([C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4AMV - F6R C6 H13 O9 P C([C@H]([C....
2 2J6H - G6Q C6 H13 O9 P C([C@H]([C....
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2POC - BG6 C6 H13 O9 P C([C@@H]1[....
2 2PUV - M6R C6 H16 N O8 P C([C@H]([C....
3 2PUT - F6R C6 H13 O9 P C([C@H]([C....
4 1MOQ Ki = 0.35 mM GLP C6 H14 N O8 P C([C@@H]1[....
5 1MOS - AGP C6 H16 N O8 P C([C@@H]([....
6 1MOR - G6P C6 H13 O9 P C([C@@H]1[....
7 4AMV - F6R C6 H13 O9 P C([C@H]([C....
8 2J6H - G6Q C6 H13 O9 P C([C@H]([C....
9 6SVO - GLU C5 H9 N O4 C(CC(=O)O)....
10 6R4F - G6Q C6 H13 O9 P C([C@H]([C....
11 6R4E - GLU C5 H9 N O4 C(CC(=O)O)....
12 6R4H - GLU C5 H9 N O4 C(CC(=O)O)....
13 2ZJ3 - G6P C6 H13 O9 P C([C@@H]1[....
14 2ZJ4 - AGP C6 H16 N O8 P C([C@@H]([....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: F6R; Similar ligands found: 51
No: Ligand ECFP6 Tc MDL keys Tc
1 F6R 1 1
2 TG6 1 1
3 I22 0.74359 1
4 P6T 0.7 0.971429
5 2FP 0.7 0.971429
6 P6F 0.7 0.971429
7 5SP 0.641026 0.972222
8 5RP 0.641026 0.972222
9 R10 0.641026 0.916667
10 HMS 0.641026 0.972222
11 PA5 0.641026 0.916667
12 PAN 0.581395 0.6875
13 9C2 0.568182 0.673469
14 M2P 0.555556 0.942857
15 GOS 0.555556 0.942857
16 LG6 0.534884 0.916667
17 6PG 0.534884 0.916667
18 O1B 0.530612 0.7
19 SDD 0.5 0.628571
20 DX5 0.5 0.916667
21 LPK 0.5 0.628571
22 A5P 0.5 0.916667
23 LX1 0.5 0.837838
24 PSJ 0.5 0.628571
25 LXP 0.5 0.916667
26 KD0 0.5 0.916667
27 TAG 0.5 0.628571
28 FUD 0.5 0.628571
29 SOL 0.5 0.628571
30 S6P 0.487805 0.942857
31 DER 0.487805 0.916667
32 DEZ 0.487805 0.916667
33 RUB 0.477273 0.916667
34 XBP 0.477273 0.916667
35 DXP 0.47619 0.837838
36 R52 0.465116 0.942857
37 DG6 0.465116 0.891892
38 R5P 0.465116 0.942857
39 TX4 0.465116 0.645833
40 HG3 0.459459 0.805556
41 52L 0.44898 0.702128
42 RES 0.444444 0.6875
43 AGP 0.444444 0.767442
44 G6Q 0.444444 0.942857
45 M6R 0.444444 0.767442
46 4TP 0.431818 0.767442
47 FQ8 0.425532 0.944444
48 LRY 0.423077 0.733333
49 H4P 0.42 0.790698
50 1NT 0.407407 0.916667
51 E4P 0.404762 0.885714
Similar Ligands (3D)
Ligand no: 1; Ligand: F6R; Similar ligands found: 156
No: Ligand Similarity coefficient
1 D6P 0.9186
2 EZL 0.9128
3 X1P 0.9097
4 G6P 0.9085
5 MRU 0.9048
6 M28 0.9008
7 BG6 0.9008
8 GLP 0.8996
9 AJG 0.8966
10 PMV 0.8965
11 S8G 0.8962
12 3CX 0.8947
13 EFR 0.8945
14 EG0 0.8929
15 0QA 0.8925
16 QJ1 0.8920
17 EP1 0.8914
18 TFQ 0.8912
19 RYY 0.8911
20 GGG 0.8901
21 ALA GLU 0.8897
22 I58 0.8888
23 TBJ 0.8881
24 B15 0.8877
25 HSA 0.8874
26 VFM 0.8865
27 EUH 0.8865
28 M7P 0.8863
29 AJ1 0.8859
30 PMP 0.8848
31 M3L 0.8834
32 CT0 0.8830
33 PTR 0.8825
34 72D 0.8823
35 M6P 0.8821
36 PTB 0.8820
37 D8X 0.8818
38 IJ6 0.8812
39 5KJ 0.8808
40 S62 0.8791
41 27K 0.8790
42 RYV 0.8790
43 REG 0.8789
44 2J3 0.8789
45 6C5 0.8788
46 16G 0.8779
47 6C4 0.8777
48 6C9 0.8777
49 GPE 0.8775
50 0F3 0.8773
51 EPE 0.8773
52 LIP 0.8763
53 8V8 0.8761
54 1OU 0.8758
55 8EU 0.8753
56 EZ1 0.8750
57 3VR 0.8745
58 6DH 0.8741
59 PLP 0.8732
60 EFF 0.8731
61 ILO 0.8730
62 9VQ 0.8722
63 CIR 0.8719
64 PLR 0.8717
65 GPM 0.8717
66 NFZ 0.8716
67 VFG 0.8715
68 NK5 0.8714
69 F6P 0.8714
70 U7E 0.8713
71 1AE 0.8713
72 D1G 0.8707
73 EF0 0.8706
74 JOT 0.8704
75 VGS 0.8703
76 TEF 0.8703
77 GHQ 0.8697
78 KYN 0.8695
79 ARG 0.8694
80 1AJ 0.8694
81 PHQ ALA 0.8693
82 G1P 0.8691
83 1PS 0.8690
84 RVE 0.8680
85 DI9 0.8680
86 F1P 0.8679
87 L21 0.8678
88 4FE 0.8678
89 9AG 0.8676
90 PAU 0.8675
91 ABF 0.8674
92 VFJ 0.8672
93 UN3 0.8668
94 5LD 0.8663
95 BGP 0.8661
96 3LJ 0.8661
97 250 0.8660
98 HRG 0.8650
99 JBZ 0.8650
100 MP5 0.8648
101 P93 0.8648
102 M1P 0.8646
103 HMZ 0.8643
104 J1K 0.8643
105 4AF 0.8640
106 49P 0.8639
107 0K7 0.8639
108 CMU 0.8638
109 NZ9 0.8637
110 F63 0.8637
111 JV4 0.8633
112 HLP 0.8633
113 D1Y 0.8631
114 BGT 0.8630
115 8YH 0.8628
116 BVS 0.8628
117 RYJ 0.8626
118 1OT 0.8625
119 IPR 0.8624
120 5TO 0.8622
121 ENG 0.8617
122 F1X 0.8616
123 CXA 0.8611
124 XI7 0.8610
125 5O6 0.8609
126 RI2 0.8607
127 SSC 0.8604
128 IS2 0.8602
129 1ER 0.8599
130 DMA 0.8599
131 MZM 0.8595
132 G8V 0.8591
133 ZEC 0.8583
134 ALA GLN 0.8583
135 3W3 0.8576
136 3W6 0.8576
137 LC1 0.8575
138 HSX 0.8573
139 EQA 0.8571
140 MKN 0.8569
141 YTZ 0.8569
142 I2E 0.8566
143 AE5 0.8565
144 MUR 0.8562
145 FCW 0.8562
146 ZON 0.8559
147 RPN 0.8557
148 4WF 0.8557
149 D9Z 0.8556
150 FNA 0.8555
151 ISJ 0.8549
152 8VR 0.8548
153 S7G 0.8544
154 5NR 0.8537
155 848 0.8522
156 HL6 0.8518
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4AMV; Ligand: F6R; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4amv.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4AMV; Ligand: F6R; 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: 4amv.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4AMV; Ligand: F6R; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4amv.bio2) has 34 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4AMV; Ligand: F6R; 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: 4amv.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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