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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 5 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 4 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 (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 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 2ZJ3 - G6P C6 H13 O9 P C([C@@H]1[....
10 2ZJ4 - AGP C6 H16 N O8 P C([C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: F6R; 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 : 4AMV; Ligand: F6R; Similar sites found with APoc: 128
This union binding pocket(no: 1) in the query (biounit: 4amv.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 2E1A MSE None
2 5IN3 G1P 0.997506
3 3FJO FMN 1.14943
4 3MKH FAD 1.36986
5 1TLL FMN 1.47783
6 2ZXI FAD 1.64204
7 5WS9 AMP 1.68421
8 4M73 M72 1.78042
9 4M73 SAH 1.78042
10 2ZUX RAM 1.86125
11 2HIM ASN 1.95531
12 2YG3 FAD 1.98676
13 5TQZ GLC 2
14 5AHO TLA 2.08333
15 1NJR XYL 2.11268
16 5KOD IAC 2.13465
17 3D9F FAD 2.28311
18 3D9F N6C 2.28311
19 5FA6 FMN 2.29885
20 5FA6 NAP 2.29885
21 5FA6 FAD 2.29885
22 1H5R G1P 2.38908
23 4LHD GLY 2.46305
24 1C7R PA5 2.47191
25 2CXS F6P 2.51346
26 2VVL FAD 2.62626
27 2O2C G6Q 2.62726
28 5AA4 6X4 2.66075
29 5ZI9 FLC 2.69231
30 1DNP MHF 2.76008
31 1FUR MLT 2.78373
32 4JWX 1N4 2.85714
33 5I7S NAD 2.89855
34 5I7S E9P 2.89855
35 4PKG ATP 3.18302
36 4B1V ATP 3.19149
37 3SJH ATP 3.2
38 2VVM FAD 3.23232
39 5YPU ATP 3.26087
40 4LY9 1YY 3.2967
41 4LY9 S6P 3.2967
42 2FF3 ATP 3.33333
43 3MN5 ATP 3.34262
44 2C0U FAD NBT 3.41686
45 3B9Q MLI 3.64238
46 2RC8 DSN 3.7415
47 5DT6 GLU 3.74532
48 4UTG ANP 3.75723
49 2A42 ATP 3.84615
50 2A3Z ATP 3.84615
51 2D1K ATP 3.84615
52 2P39 SCR 3.87097
53 1KXP ATP 3.93013
54 4CBX ATP 3.93701
55 5X7Q GLC GLC GLC GLC 3.94089
56 4PL8 ATP 4.10959
57 3ITJ FAD 4.14201
58 4UP4 GAL NAG 4.2394
59 4H2D FMN 4.24242
60 3FXU TSU 4.26929
61 3MJY IJZ 4.33526
62 3MJY FMN 4.33526
63 2CUN 3PG 4.39024
64 1DKU AP2 4.4164
65 3KV4 OGA 4.47427
66 1KOJ PAN 4.48833
67 2Z9C FMN 5
68 2Z9C DTC 5
69 1WHT BZS 5.22876
70 3CIP ATP 5.33333
71 3MN7 ATP 5.34759
72 3MN9 ATP 5.34759
73 3MN6 ATP 5.34759
74 3C3N FMN 5.44872
75 2RCA GLY 5.47945
76 5DEX GLY 5.47945
77 1X92 M7P 5.52764
78 4PKI ATP 5.55556
79 4WXJ GLU 5.57621
80 1YAG ATP 5.6
81 4RL4 PPV 5.66038
82 6HKE LMR 5.66038
83 6HKE MLT 5.66038
84 4TVD BGC 5.91133
85 5EHS 2JJ 5.97015
86 5EHS 5OY 5.97015
87 4N65 FMN 6.13208
88 3L8H FX1 6.14525
89 1T10 F6P 6.28099
90 5BSH PRO 6.4982
91 5CMK GLU 6.56371
92 1DCP HBI 6.73077
93 2Q97 ATP 6.97674
94 5LU5 M7P 7.1066
95 5ZZB ATP 7.35294
96 2B99 RDL 7.69231
97 4F2Q QUS 7.75194
98 3LN9 FLC 7.91367
99 5OC1 FAD 8.14159
100 1MAI I3P 8.39695
101 5O4F 8VE 8.52713
102 4YKI GLY 8.59375
103 1B1C FMN 8.83978
104 3FV1 DYH 8.98438
105 4RDN 6MD 9.58084
106 4HSU FAD 9.67742
107 4GUT FAD 9.67742
108 1V35 NAI 9.72644
109 4Z94 ATP 9.81595
110 2PAV ATP 10.0719
111 2BOS GLA GAL GLC NBU 10.2941
112 5GVR LMR 10.6838
113 5ZZA ATP 11.5702
114 4EHQ GBL 12.1622
115 5IKB KAI 12.4514
116 1CT9 GLN 13.0199
117 4LZJ 22H 15.5116
118 4B1X ATP 15.625
119 2BZ1 TAU 16.8367
120 5YEE ATP 16.9118
121 3HUJ AGH 18.1818
122 1VL8 NAP 18.7266
123 4B1W ATP 18.75
124 4IVN BMX 19.7842
125 1X9I G6Q 20.1987
126 2PBD ATP 23.2558
127 2FF6 ATP 26.9231
128 2A40 ATP 34.375
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: 47
This union binding pocket(no: 3) in the query (biounit: 4amv.bio2) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 4X7R NTO 1.62272
2 4X7R 3YW 1.62272
3 2OG2 MLI 1.67131
4 5K1F IMP 1.91257
5 1LCF OXL 1.97044
6 1RP0 AHZ 2.11268
7 2ZKJ ADP 2.28426
8 4B2D FBP 2.73723
9 3KB6 LAC 2.99401
10 5HWK BEZ 3.33333
11 2R4J 13P 3.39321
12 2R4J FAD 3.39321
13 5MB4 NDG 3.49127
14 3K5I AIR 3.72208
15 3FC4 EDO 3.77668
16 1KY8 NAP 3.79242
17 4NZF ARB 3.79464
18 4AT0 FAD 3.92157
19 4IO2 GLU 4.03226
20 4IP7 FBP 4.05157
21 1N62 MCN 4.21687
22 1FFU CDP 4.29448
23 4TQK NAG 4.92611
24 5Y6Q MCN 5.15152
25 6BYF CIT 5.29412
26 4WOH 4NP 5.42169
27 5DEX 5E0 5.47945
28 3FPZ AHZ 5.52147
29 3BRN SRO 5.73248
30 3AB1 FAD 6.11111
31 1NE7 16G 6.57439
32 2A2C NG1 7.53138
33 2A2C ADP 7.53138
34 4L8F MTX 8.01282
35 2GAG NAD 8.14815
36 1YC5 NCA 8.53659
37 1V59 NAD 8.57741
38 2P3V SRT 8.59375
39 3HRD MCN 8.75
40 2AWN ADP 8.92388
41 1OBV FMN 9.46746
42 4G6I RS3 9.52381
43 3KAP FMN 10.2041
44 4O0L NDP 10.9091
45 1SQS TLA 12.3967
46 4BMO FMN 15.126
47 1M5B BN1 17.8707
Pocket No.: 4; Query (leader) PDB : 4AMV; Ligand: F6R; Similar sites found with APoc: 31
This union binding pocket(no: 4) in the query (biounit: 4amv.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 4RDL FUC GAL NDG FUC 2.27273
2 2C6Q NDP 2.2792
3 3ZUY TCH 2.47678
4 2O1V ADP 2.62726
5 3F81 STT 2.73224
6 4BG4 ARG 2.80899
7 5HRA DAS 2.97872
8 5MB4 NAG 3.49127
9 4AF0 MOA 3.77698
10 1YC4 43P 3.78788
11 1B0U ATP 4.19847
12 1C4Q GLA GAL BGC 4.34783
13 2FWP CIT 4.91803
14 4RF7 ARG 4.92611
15 5TTJ FAD 5.30612
16 2AJH MET 5.61225
17 3HQ9 OXL 5.7971
18 4N65 AQN 6.13208
19 5G3U FDA 6.14657
20 5G3U ITW 6.14657
21 1B74 DGN 6.29921
22 5CMK LY5 6.56371
23 3ZNN 4WL 6.62824
24 3ZNN FAD 6.62824
25 5LY1 PPI 6.82415
26 3IP8 B85 6.85484
27 4GUS FAD 9.67742
28 2BOS GLA GAL GLC 10.2941
29 1T5B FMN 10.4478
30 2FCR FMN 10.9827
31 1YRO UDP 13.6364
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