Receptor
PDB id Resolution Class Description Source Keywords
2HCJ 2.12 Å NON-ENZYME: TRANSCRIPT_TRANSLATE TRYPSIN-MODIFIED ELONGATION FACTOR TU IN COMPLEX WITH TETRAC ESCHERICHIA COLI TRYPSIN-MODIFIED EF-TU GTPASE CENTER COMPLEX WITH TETRACYCTRANSLATION
Ref.: MOLECULAR COMPLEMENTARITY BETWEEN TETRACYCLINE AND GTPASE ACTIVE SITE OF ELONGATION FACTOR TU. ACTA CRYSTALLOGR.,SECT.D V. 62 1392 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GDP A:999;
Valid;
none;
submit data
443.201 C10 H15 N5 O11 P2 c1nc2...
GLV B:1004;
Valid;
none;
submit data
74.035 C2 H2 O3 C(=O)...
MG A:998;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
NA B:1001;
B:1002;
B:1003;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
22.99 Na [Na+]
SO4 A:1005;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
TAC B:888;
Valid;
none;
submit data
444.435 C22 H24 N2 O8 C[C@]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2HCJ 2.12 Å NON-ENZYME: TRANSCRIPT_TRANSLATE TRYPSIN-MODIFIED ELONGATION FACTOR TU IN COMPLEX WITH TETRAC ESCHERICHIA COLI TRYPSIN-MODIFIED EF-TU GTPASE CENTER COMPLEX WITH TETRACYCTRANSLATION
Ref.: MOLECULAR COMPLEMENTARITY BETWEEN TETRACYCLINE AND GTPASE ACTIVE SITE OF ELONGATION FACTOR TU. ACTA CRYSTALLOGR.,SECT.D V. 62 1392 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 2HCJ - GLV C2 H2 O3 C(=O)C(=O)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 2HCJ - GLV C2 H2 O3 C(=O)C(=O)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 2HCJ - GLV C2 H2 O3 C(=O)C(=O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GDP; Similar ligands found: 161
No: Ligand ECFP6 Tc MDL keys Tc
1 GDP 1 1
2 GTP 0.909091 1
3 GP3 0.881579 0.973684
4 GNH 0.858974 0.986667
5 9GM 0.839506 0.973684
6 GNP 0.839506 0.973684
7 G 0.828947 0.986486
8 5GP 0.828947 0.986486
9 G1R 0.82716 0.986667
10 GCP 0.82716 0.973684
11 GSP 0.817073 0.948718
12 GAV 0.797619 0.961039
13 GMV 0.792683 0.973684
14 G2P 0.77381 0.961039
15 G2R 0.770115 0.961039
16 GP2 0.756098 0.961039
17 GDC 0.747253 0.961039
18 GKE 0.747253 0.961039
19 GDD 0.747253 0.961039
20 GPG 0.741573 0.961039
21 G3D 0.732558 0.986486
22 ALF 5GP 0.729412 0.888889
23 Y9Z 0.728261 0.902439
24 G5P 0.723404 0.973684
25 GFB 0.72043 0.961039
26 GTG 0.72043 0.936709
27 GDR 0.72043 0.961039
28 G4P 0.715909 0.986486
29 G3A 0.712766 0.973684
30 6CK 0.712766 0.936709
31 GDP AF3 0.7 0.888889
32 ALF GDP 0.7 0.888889
33 GDP ALF 0.7 0.888889
34 YGP 0.698925 0.901235
35 GKD 0.697917 0.961039
36 JB2 0.697917 0.961039
37 GDX 0.690722 0.973684
38 GPD 0.690722 0.925
39 GMP 0.684211 0.88
40 0O2 0.666667 0.986486
41 JB3 0.656863 0.948718
42 NGD 0.650485 0.961039
43 DGI 0.636364 0.923077
44 GDP 7MG 0.636364 0.911392
45 U2G 0.634615 0.936709
46 GPX 0.634409 0.946667
47 G G 0.632653 0.948052
48 IDP 0.632184 0.972973
49 2MD 0.632075 0.891566
50 CAG 0.62963 0.880952
51 CG2 0.622642 0.936709
52 FEG 0.619048 0.879518
53 MGD 0.614679 0.891566
54 ZGP 0.613208 0.869048
55 GH3 0.612903 0.973333
56 3GP 0.611765 0.946667
57 MD1 0.607143 0.891566
58 PGD 0.59292 0.925
59 DGT 0.591398 0.923077
60 BGO 0.588785 0.924051
61 TPG 0.582609 0.840909
62 DBG 0.582609 0.948718
63 2GP 0.574713 0.96
64 FE9 0.570175 0.776596
65 GCP G 0.56 0.921053
66 A G 0.553571 0.935065
67 G A A A 0.553571 0.923077
68 MGP 0.553191 0.961039
69 U A G G 0.548673 0.935065
70 G4M 0.548387 0.880952
71 6G0 0.547368 0.961039
72 G1R G1R 0.542373 0.924051
73 P2G 0.527473 0.883117
74 PGD O 0.525 0.850575
75 ADP 0.522222 0.92
76 R5I 0.520833 0.946667
77 R7I 0.520833 0.946667
78 GGM 0.517544 0.901235
79 DGP 0.516484 0.910256
80 DG 0.516484 0.910256
81 P1G 0.516129 0.871795
82 G U 0.513274 0.9
83 G1G 0.508475 0.925
84 IMP 0.505495 0.959459
85 AKW 0.504425 0.890244
86 G C 0.504348 0.9
87 GPC 0.491525 0.879518
88 G7M 0.483871 0.948052
89 6AD 0.479592 0.841463
90 ATP 0.473684 0.92
91 HEJ 0.473684 0.92
92 G2Q 0.471154 0.961039
93 5FA 0.46875 0.92
94 AQP 0.46875 0.92
95 GTA 0.468468 0.936709
96 7DD 0.468085 0.906667
97 G G G RPC 0.466102 0.875
98 SGP 0.463158 0.82716
99 01G 0.462963 0.902439
100 HFD 0.459184 0.873418
101 B4P 0.457447 0.894737
102 AP5 0.457447 0.894737
103 A2D 0.456522 0.894737
104 6YZ 0.455446 0.896104
105 G G G C 0.455285 0.9125
106 5GP 5GP 0.454545 0.883117
107 ANP 0.454545 0.896104
108 ACQ 0.454545 0.896104
109 AT4 0.452632 0.884615
110 A G C C 0.451613 0.911392
111 APC G U 0.45082 0.886076
112 PRT 0.449541 0.959459
113 G U34 0.449153 0.888889
114 DG DG 0.448598 0.865854
115 ITT 0.447917 0.868421
116 BA3 0.446809 0.894737
117 C2E 0.444444 0.921053
118 PCG 0.444444 0.933333
119 35G 0.444444 0.933333
120 MGO 0.441176 0.864198
121 AN2 0.4375 0.907895
122 G C C C 0.4375 0.924051
123 M33 0.43299 0.883117
124 UCG 0.429688 0.911392
125 A G U 0.42963 0.888889
126 ACP 0.428571 0.896104
127 MGQ 0.424528 0.935897
128 AR6 0.424242 0.894737
129 7DT 0.424242 0.906667
130 APR 0.424242 0.894737
131 93A 0.42268 0.833333
132 A4P 0.420168 0.869048
133 G8D 0.42 0.875
134 AD9 0.42 0.896104
135 SAP 0.42 0.873418
136 AGS 0.42 0.873418
137 CA0 0.418367 0.896104
138 ATF 0.417476 0.884615
139 AGO 0.414634 0.888889
140 A G U U 0.414286 0.888889
141 NIA 0.413043 0.82716
142 MGV 0.412844 0.890244
143 TAT 0.411765 0.884615
144 T99 0.411765 0.884615
145 ADQ 0.411215 0.871795
146 A1R 0.411215 0.839506
147 RGT 0.410714 0.909091
148 CGP 0.409836 0.86747
149 C1Z 0.409091 0.986486
150 A 0.408602 0.893333
151 AMP 0.408602 0.893333
152 UP5 0.40678 0.873418
153 AMZ 0.406593 0.918919
154 C2R 0.406593 0.906667
155 JBT 0.405882 0.778947
156 A22 0.40566 0.907895
157 25L 0.405405 0.907895
158 ADX 0.40404 0.809524
159 8OD 0.401961 0.946667
160 50T 0.4 0.883117
161 4TC 0.4 0.851852
Ligand no: 2; Ligand: GLV; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 GLV 1 1
2 MAE 0.5 0.666667
3 FUM 0.5 0.666667
4 OXD 0.416667 0.75
5 CCU 0.411765 0.666667
Ligand no: 3; Ligand: TAC; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 TAC 1 1
2 CTC 0.644444 0.934426
3 MIY 0.5 0.965517
4 I7T 0.5 0.918033
5 DXT 0.427184 0.929825
6 ATC 0.422018 0.848485
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2HCJ; Ligand: GDP; Similar sites found with APoc: 115
This union binding pocket(no: 1) in the query (biounit: 2hcj.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2WKQ GTP 1.50602
2 1TAD ALF 1.85185
3 1TAD GDP 1.85185
4 2G77 GDP 2.08955
5 1OIV GDP 2.09424
6 1G4U GDP 2.17391
7 2FFQ GSP 2.92398
8 4DKX GDP 3.24074
9 2QTV GNP 3.28358
10 1GOT GDP 3.58209
11 3Q72 GNP 3.61446
12 4D0N GDP 3.78378
13 3AQ4 GDP 3.80435
14 1KMQ GNP 3.80435
15 1MR3 G3D 3.8674
16 3WYF GTP 3.8806
17 5GOE GDP 3.8806
18 3Q85 GNP 4.14201
19 4HDO GNP 4.19162
20 5HCN GCP 4.21456
21 1J2J GTP 4.21687
22 2X77 GDP 4.2328
23 3RWO GDP 4.32432
24 1RYH GNP 4.4335
25 4YC7 GNP 4.77612
26 2FJU GSP 4.77612
27 1GUA GNP 4.79042
28 1VG0 GDP 4.83092
29 1VG1 GDP 5.40541
30 1VG9 GDP 5.40541
31 3N5C GDP 5.67164
32 6BC0 GSP 6
33 5JCZ GDP 6.26866
34 4YLG GDP 6.35838
35 5E95 GDP 6.54762
36 1GP2 GDP 6.56716
37 1BH2 GSP 6.56716
38 5KDO GDP 6.56716
39 6D5J GNP 6.58683
40 6D5E GNP 6.58683
41 6BVJ GNP 6.58683
42 6D5G GNP 6.58683
43 6BVK GNP 6.58683
44 6D5H GNP 6.58683
45 1CLU DBG 6.62651
46 1WQ1 GDP 6.62651
47 2C5L GTP 6.83761
48 1S9D GDP 6.89655
49 1FZQ GDP 7.18232
50 3MD0 GDP 7.46269
51 4LC1 GDP 7.46269
52 1ZJ6 G3D 7.48663
53 1YVD GNP 7.69231
54 1RE0 GDP 8.10811
55 6CRK GDP 8.10811
56 5O74 GDP 8.33333
57 1I4D GDP 8.33333
58 1DS6 GDP 8.33333
59 2RCN GDP 8.35821
60 1E96 GTP 8.37438
61 1PUJ GNP 8.51064
62 3SFV GDP 8.83978
63 2EFE GNH 8.83978
64 3DOE GTP 8.85417
65 3M1I GTP 8.90052
66 1YZG GDP 8.93855
67 1R4A GNP 9.09091
68 4DID GDP 9.84456
69 5EE5 GTP 9.85915
70 2WMO GTP 10
71 5UPK GNP 10.2703
72 3GJ0 GDP 10.4072
73 4DCT GDP 10.4478
74 1S8F GDP 10.4478
75 2NGR GDP 10.4712
76 5BXQ GDP 10.6481
77 1UAD GNP 11.4286
78 2HT6 GDP 11.6418
79 2CJW GDP 11.6418
80 1U8Z GDP 11.9048
81 2A5J GDP 12.0419
82 3CNL GNP 12.2137
83 1WA5 GTP 13.0682
84 1Z2A GDP 13.0952
85 1CS4 GSP 13.1343
86 6AU6 GDP 13.1343
87 1Z0A GDP 13.2184
88 1SVI GDP 13.3333
89 3W5J GDP 13.4328
90 3CPJ GDP 13.5135
91 1KSH GDP 13.8158
92 3T5G GDP 13.8158
93 5TB5 GDP 14
94 1G16 GDP 15.2941
95 1F6B GDP 16.1616
96 1MKY GDP 16.4179
97 3EC1 GDP 18.209
98 3WYG GTP 18.4211
99 3BC1 GNP 18.4615
100 1Z0F GDP 18.9189
101 5CK5 GDP 18.9189
102 3T12 GDP ALF 24.3243
103 3T1O GDP 24.3243
104 6G14 G4P 28.6567
105 3CH5 GDP 28.8462
106 3TK1 GDP 29.7297
107 1YRB GDP 35.1351
108 2WJH GDP 35.1351
109 5H7J GCP 35.1351
110 2WJG GDP 35.1351
111 5H7K GDP 35.1351
112 1TQ4 GDP 35.1351
113 5M04 GDP 37.8378
114 4R98 GNH 37.8378
115 2WIC GNP 37.8378
116 1Y3A GDP 50
Pocket No.: 2; Query (leader) PDB : 2HCJ; Ligand: GLV; 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: 2hcj.bio1) has 2 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2HCJ; Ligand: TAC; 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: 2hcj.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
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