Receptor
PDB id Resolution Class Description Source Keywords
2PN6 1.44 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF S32A OF ST1022-GLN COMPLEX FROM SULFOLOBUS TOKODAII SULFOLOBUS TOKODAII TRANSCRIPTIONAL REGULATOR LRP/ASNC FAMILY GLN BINDING ST1022 STRUCTURAL GENOMICS NPPSFA NATIONAL PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI
Ref.: CRYSTAL STRUCTURE OF GLUTAMINE RECEPTOR PROTEIN FROM SULFOLOBUS TOKODAII STRAIN 7 IN COMPLEX WITH ITS EFFECTOR L-GLUTAMINE: IMPLICATIONS OF EFFECTOR BINDING IN MOLECULAR ASSOCIATION AND DNA BINDING NUCLEIC ACIDS RES. V. 36 4808 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLN A:1002;
Valid;
none;
submit data
146.144 C5 H10 N2 O3 C(CC(...
MG A:1001;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2PN6 1.44 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF S32A OF ST1022-GLN COMPLEX FROM SULFOLOBUS TOKODAII SULFOLOBUS TOKODAII TRANSCRIPTIONAL REGULATOR LRP/ASNC FAMILY GLN BINDING ST1022 STRUCTURAL GENOMICS NPPSFA NATIONAL PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI
Ref.: CRYSTAL STRUCTURE OF GLUTAMINE RECEPTOR PROTEIN FROM SULFOLOBUS TOKODAII STRAIN 7 IN COMPLEX WITH ITS EFFECTOR L-GLUTAMINE: IMPLICATIONS OF EFFECTOR BINDING IN MOLECULAR ASSOCIATION AND DNA BINDING NUCLEIC ACIDS RES. V. 36 4808 2008
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 257 families.
1 2PMH - GLN C5 H10 N2 O3 C(CC(=O)N)....
2 2EFP - GLN C5 H10 N2 O3 C(CC(=O)N)....
3 2E7X - GLN C5 H10 N2 O3 C(CC(=O)N)....
4 2E7W - GLN C5 H10 N2 O3 C(CC(=O)N)....
5 2PN6 - GLN C5 H10 N2 O3 C(CC(=O)N)....
6 2YX7 - GLN C5 H10 N2 O3 C(CC(=O)N)....
7 2YX4 - GLN C5 H10 N2 O3 C(CC(=O)N)....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 222 families.
1 2PMH - GLN C5 H10 N2 O3 C(CC(=O)N)....
2 2EFP - GLN C5 H10 N2 O3 C(CC(=O)N)....
3 2E7X - GLN C5 H10 N2 O3 C(CC(=O)N)....
4 2E7W - GLN C5 H10 N2 O3 C(CC(=O)N)....
5 2PN6 - GLN C5 H10 N2 O3 C(CC(=O)N)....
6 2YX7 - GLN C5 H10 N2 O3 C(CC(=O)N)....
7 2YX4 - GLN C5 H10 N2 O3 C(CC(=O)N)....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 185 families.
1 2PMH - GLN C5 H10 N2 O3 C(CC(=O)N)....
2 2EFP - GLN C5 H10 N2 O3 C(CC(=O)N)....
3 2E7X - GLN C5 H10 N2 O3 C(CC(=O)N)....
4 2E7W - GLN C5 H10 N2 O3 C(CC(=O)N)....
5 2PN6 - GLN C5 H10 N2 O3 C(CC(=O)N)....
6 2YX7 - GLN C5 H10 N2 O3 C(CC(=O)N)....
7 2YX4 - GLN C5 H10 N2 O3 C(CC(=O)N)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLN; Similar ligands found: 34
No: Ligand ECFP6 Tc MDL keys Tc
1 GLN 1 1
2 DGN 1 1
3 GLU 0.62963 0.821429
4 GGL 0.62963 0.821429
5 DGL 0.62963 0.821429
6 ONL 0.586207 0.741935
7 HGA 0.53125 0.75
8 HSE 0.518519 0.6875
9 DAB 0.518519 0.65625
10 MEQ 0.515152 0.870968
11 HCS 0.5 0.645161
12 NVA 0.5 0.666667
13 API 0.5 0.793103
14 ASN 0.481481 0.833333
15 UN1 0.46875 0.793103
16 11C 0.46875 0.793103
17 DBB 0.461538 0.62069
18 ABA 0.461538 0.62069
19 ORN 0.451613 0.677419
20 C2N 0.444444 0.6
21 NPI 0.441176 0.766667
22 NLE 0.4375 0.625
23 26P 0.428571 0.71875
24 DAS 0.428571 0.7
25 ASP 0.428571 0.7
26 3GC 0.425 0.794118
27 DLY 0.424242 0.65625
28 DHH 0.411765 0.709677
29 LYS 0.411765 0.636364
30 2NP 0.405405 0.611111
31 BGT 0.405405 0.685714
32 ONH 0.4 0.605263
33 3O3 0.4 0.666667
34 AS2 0.4 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2PN6; Ligand: GLN; Similar sites found: 148
This union binding pocket(no: 1) in the query (biounit: 2pn6.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KPE TM3 0.000114 0.55706 None
2 3NOJ PYR 0.0002194 0.53077 None
3 4DN8 BMA 0.001058 0.50761 None
4 1BTN I3P 0.01106 0.49527 None
5 4BPM GSH 0.0004755 0.44973 None
6 3QDY CBS 0.01828 0.44964 None
7 1RSD PSB 0.000009205 0.43456 None
8 3DUR KDO 0.02872 0.42936 None
9 1WKL ADP 0.0001194 0.42463 None
10 1FNZ A2G 0.005694 0.42004 None
11 4MOB ADP 0.01895 0.41318 None
12 2RDG NDG FUC SIA GAL 0.01697 0.40992 None
13 1WKL ATP 0.00007427 0.40904 None
14 3JUC PCA 0.01658 0.40825 None
15 1FRW GTP 0.0000003353 0.40631 None
16 3KJQ B94 0.0475 0.40373 None
17 1T26 NAI 0.00001558 0.40262 None
18 1T26 GBD 0.00001558 0.40262 None
19 2GJ3 FAD 0.000004835 0.40186 None
20 4MOB COA 0.00144 0.40181 None
21 2WL9 MBD 0.002054 0.43027 1.33333
22 2WBV SIA 0.01101 0.40647 1.33333
23 1QD0 RR6 0.02029 0.42039 1.5625
24 1TUV VK3 0.006461 0.48793 1.75439
25 2ZO9 MLI 0.01554 0.42749 2
26 3VGL ANP 0.0005796 0.41538 2
27 2Q1A 2KT 0.01005 0.41071 2
28 3NGU ADP 0.03138 0.40857 2
29 1F5F DHT 0.02621 0.40573 2
30 1GXU 2HP 0.000009265 0.52516 2.1978
31 43CA NPO 0.04766 0.45485 2.5641
32 3K3G MMU 0.004523 0.46658 2.66667
33 4HPP GLU 0.00005584 0.45065 2.66667
34 1XIU REA 0.004966 0.43569 2.66667
35 2C5S AMP 0.02058 0.42781 2.66667
36 4JP3 CIT 0.02455 0.41667 2.66667
37 3RO7 TDR 0.000004196 0.41405 2.66667
38 3O9P MHI 0.000005991 0.40682 2.66667
39 3LTW HLZ 0.03811 0.42767 3.33333
40 4DA6 GA2 0.00000003372 0.42707 3.33333
41 2WLT ASP 0.002392 0.41648 3.33333
42 3UEC ALA ARG TPO LYS 0.01352 0.45661 3.42466
43 1UGX GAL MGC 0.0001239 0.45939 3.7594
44 2GN2 C5P 0.00002559 0.53002 4
45 1TV5 ORO 0.002551 0.44964 4
46 2JFV FLC 0.0191 0.44322 4
47 4G1V FAD 0.000000257 0.43704 4
48 1FX8 BOG 0.005879 0.43267 4
49 1KW6 BPY 0.0000001468 0.41922 4
50 3OCZ SRA 0.01271 0.41881 4
51 1J2Z SOG 0.0001218 0.41718 4
52 1TV5 N8E 0.01695 0.41053 4
53 3PHQ KDO 0.001516 0.55701 4.66667
54 1W31 SHO 0.0000000001094 0.53944 4.66667
55 2HVK TBA 0.000432 0.52749 4.66667
56 3IJH KO2 0.005544 0.46785 4.66667
57 2BMK PDD 0.01122 0.45795 4.66667
58 3AIQ HBO 0.00001186 0.443 4.66667
59 1VCO GLN 0.0006276 0.44215 4.66667
60 4DS0 A2G GAL NAG FUC 0.008524 0.42698 4.66667
61 2NZ2 CIR 0.001732 0.42684 4.66667
62 3NJQ NJQ 0.008789 0.40232 4.66667
63 1AL8 FMN 0.0002057 0.4008 4.66667
64 1Y2W NAG 0.02117 0.44091 4.92958
65 2OFE NAG 0.02555 0.43669 4.92958
66 1SS4 CIT 0.003859 0.54074 5.33333
67 1SS4 GSH 0.02383 0.47378 5.33333
68 1A8S PPI 0.004748 0.45072 5.33333
69 4N7C AEF 0.03519 0.43443 5.33333
70 2NSJ C2R 0.000000431 0.41693 5.33333
71 3K37 BCZ 0.000001713 0.41157 5.33333
72 4GLW NMN 0.02919 0.40427 5.33333
73 1VQ2 DDN 0.000001864 0.4019 5.33333
74 4F8L GAL 0.003249 0.52426 5.51724
75 1XX4 BAM 0.0003689 0.51976 6
76 4HE2 AMP 0.000223 0.44444 6
77 4E28 9MZ 0.01883 0.44353 6
78 3I0O ADP 0.01176 0.43499 6
79 3QVL 5HY 0.00001009 0.42906 6
80 2ET1 GLV 0.0001797 0.42739 6
81 2ZJ5 ADP 0.04324 0.42039 6
82 1Y0L HAN 0.0004271 0.56592 6.19469
83 1H8G CHT 0.01647 0.48072 6.31579
84 1JH7 UVC 0.00004485 0.44444 6.34921
85 1Y7P RIP 0.01639 0.45821 6.66667
86 1ULE GLA GAL NAG 0.04171 0.42563 6.66667
87 4TMK T5A 0.000002792 0.42512 6.66667
88 2C9O ADP 0.001797 0.4128 6.66667
89 1KQR MNA 0.02838 0.41271 6.66667
90 2P3I MNA 0.02987 0.41064 6.66667
91 2YP9 SIA CMO 0.02848 0.40572 6.66667
92 3UC5 ATP 0.00005293 0.40001 6.66667
93 5D6C 57S 0.003009 0.51121 6.69643
94 4RJK PYR 0.007169 0.50306 7.33333
95 1JN2 SFP 0.02915 0.48733 7.33333
96 4FUA PGH 0.0001078 0.4687 7.33333
97 1XP8 AGS 0.000003254 0.45733 7.33333
98 1MVQ MMA 0.0001541 0.4496 7.33333
99 3VCA PRO 0.01368 0.44303 7.33333
100 4Q3S X7A 0.001809 0.42474 7.33333
101 1PJ6 FOL 0.0001309 0.41872 7.33333
102 4M7F BM3 0.0001963 0.52947 8
103 3DGB MUC 0.0000000006929 0.46592 8
104 4C81 CDP 0.001354 0.44903 8
105 1G41 ADP 0.000006374 0.42627 8
106 4A8T PAO 0.00000597 0.41319 8
107 2P8B NSK 0.000000000007285 0.53227 8.66667
108 5DRN 5CT 0.00524 0.49727 8.66667
109 5DTF 5CT 0.01127 0.47058 8.66667
110 1T0S BML 0.02675 0.44647 8.66667
111 1ZFJ IMP 0.0000002725 0.43731 8.66667
112 3HPF GAE 0.0009406 0.41405 8.66667
113 1SJW NGV 0.001289 0.40538 9.02778
114 2Z5Y HRM 0.000006068 0.5031 9.33333
115 2P2V CSF 0.0001821 0.40205 9.33333
116 4GZP G39 0.001395 0.40007 9.33333
117 1E4I NFG 0.00000007151 0.57898 10
118 1BGV GLU 0.000001159 0.48935 10
119 3VOZ 04A 0.000943 0.46546 10
120 4C2G ALA ALA ALA ALA 0.03835 0.41498 10
121 1HV9 UD1 0.002317 0.40932 10
122 2YIV NBN 0.04714 0.42759 10.6667
123 4P87 4NP 0.000485 0.44603 11.3333
124 2PP3 LGT 0.0000003097 0.41313 11.3333
125 3MMR ABH 0.00003216 0.41081 11.3333
126 2GGH NLQ 0.001414 0.40876 11.3333
127 4PB2 5UD 0.02904 0.40101 11.3333
128 1A5Z OXM 0.002317 0.50478 12
129 5T63 ALA ALA ALA ALA 0.00004671 0.49868 12
130 1JQ5 NAD 0.000000004417 0.48964 12
131 1A5Z FBP 0.0006759 0.46281 12
132 3Q2I HP7 0.0000002428 0.44095 12
133 3CH5 GDP 0.0008779 0.41998 12.6667
134 4M5P MLA 0.036 0.45198 13.3333
135 3EJ0 11X 0.003222 0.47379 13.7755
136 1DXY COI 0.0008033 0.44166 14.6667
137 3FN0 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.001932 0.49424 15.3333
138 2BJF DXC 0.0005307 0.40724 21.3333
139 2EB5 OXL 0.02436 0.43776 22
140 1U5R ATP 0.014 0.42039 22
141 1K27 MTM 0.00362 0.4032 22.6667
142 2JBH 5GP 0.04921 0.40981 23.3333
143 3UXL CFI 0.0001065 0.42597 25.3333
144 4PNO U5P 0.0000005907 0.6132 26.3889
145 2B7N NTM 0.03498 0.42505 28.6667
146 1V5F FAD 0.000038 0.41475 36
147 1V5F TPP 0.000038 0.41475 36
148 2E1A MSE 0.0001695 0.49342 41.3333
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