Receptor
PDB id Resolution Class Description Source Keywords
1NHT 2.5 Å EC: 6.3.4.4 ENTRAPMENT OF 6-THIOPHOSPHORYL-IMP IN THE ACTIVE SITE OF CRY ADENYLOSUCCINATE SYNTHETASE FROM ESCHERICHIA COLI DATA COLL1 00K ESCHERICHIA COLI LIGASE SYNTHETASE PURINE NUCLEOTIDE BIOSYNTHESIS GTP-HYDRENZYMES
Ref.: ENTRAPMENT OF 6-THIOPHOSPHORYL-IMP IN THE ACTIVE SI CRYSTALLINE ADENYLOSUCCINATE SYNTHETASE FROM ESCHER COLI. J.BIOL.CHEM. V. 272 15200 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GDP A:432;
Valid;
none;
submit data
443.201 C10 H15 N5 O11 P2 c1nc2...
HDA A:437;
Valid;
none;
submit data
119.076 C3 H5 N O4 C(C(=...
MG A:435;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
PGS A:440;
Valid;
none;
submit data
445.259 C10 H15 N4 O10 P2 S c1[nH...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1QF5 2 Å EC: 6.3.4.4 DESIGN, SYNTHESIS, AND X-RAY CRYSTAL STRUCTURE OF AN ENZYME BISUBSTRATE HYBRID INHIBITOR OF ADENYLOSUCCINATE SYNTHETASE ESCHERICHIA COLI PURINE BIOSYNTHESIS SYNTHETASE GTP-BINDING GTP-HYDROLYSINENZYMES LIGASE
Ref.: AN ENZYME-BOUND BISUBSTRATE HYBRID INHIBITOR OF ADENYLOSUCCINATE SYNTHETASE ANGEW.CHEM.INT.ED.ENGL. V. 38 3159 1999
Members (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1HOO - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
2 1NHT - HDA C3 H5 N O4 C(C(=O)O)N....
3 1GIM - HDA C3 H5 N O4 C(C(=O)O)N....
4 1CIB - HDA C3 H5 N O4 C(C(=O)O)N....
5 1QF4 ic50 = 0.665 uM RPD C13 H22 N3 O13 P C(C[C@H](C....
6 1CH8 - HDA C3 H5 N O4 C(C(=O)O)N....
7 1CG0 - HDA C3 H5 N O4 C(C(=O)O)N....
8 1CG1 - HDA C3 H5 N O4 C(C(=O)O)N....
9 2GCQ Ki = 17 uM HDA C3 H5 N O4 C(C(=O)O)N....
10 1HON - GNH C10 H16 N6 O10 P2 c1nc2c(n1[....
11 1CG4 - IMO C10 H14 N4 O11 P2 c1nc2c(c(n....
12 1CG3 - HDA C3 H5 N O4 C(C(=O)O)N....
13 1QF5 ic50 = 0.043 uM RPL C13 H22 N3 O13 P C(C[C@@H](....
14 1HOP - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
70% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1HOO - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
2 1NHT - HDA C3 H5 N O4 C(C(=O)O)N....
3 1GIM - HDA C3 H5 N O4 C(C(=O)O)N....
4 1CIB - HDA C3 H5 N O4 C(C(=O)O)N....
5 1QF4 ic50 = 0.665 uM RPD C13 H22 N3 O13 P C(C[C@H](C....
6 1CH8 - HDA C3 H5 N O4 C(C(=O)O)N....
7 1CG0 - HDA C3 H5 N O4 C(C(=O)O)N....
8 1CG1 - HDA C3 H5 N O4 C(C(=O)O)N....
9 2GCQ Ki = 17 uM HDA C3 H5 N O4 C(C(=O)O)N....
10 1HON - GNH C10 H16 N6 O10 P2 c1nc2c(n1[....
11 1CG4 - IMO C10 H14 N4 O11 P2 c1nc2c(c(n....
12 1CG3 - HDA C3 H5 N O4 C(C(=O)O)N....
13 1QF5 ic50 = 0.043 uM RPL C13 H22 N3 O13 P C(C[C@@H](....
14 1HOP - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
50% Homology Family (23)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1HOO - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
2 1NHT - HDA C3 H5 N O4 C(C(=O)O)N....
3 1GIM - HDA C3 H5 N O4 C(C(=O)O)N....
4 1CIB - HDA C3 H5 N O4 C(C(=O)O)N....
5 1QF4 ic50 = 0.665 uM RPD C13 H22 N3 O13 P C(C[C@H](C....
6 1CH8 - HDA C3 H5 N O4 C(C(=O)O)N....
7 1CG0 - HDA C3 H5 N O4 C(C(=O)O)N....
8 1CG1 - HDA C3 H5 N O4 C(C(=O)O)N....
9 2GCQ Ki = 17 uM HDA C3 H5 N O4 C(C(=O)O)N....
10 1HON - GNH C10 H16 N6 O10 P2 c1nc2c(n1[....
11 1CG4 - IMO C10 H14 N4 O11 P2 c1nc2c(c(n....
12 1CG3 - HDA C3 H5 N O4 C(C(=O)O)N....
13 1QF5 ic50 = 0.043 uM RPL C13 H22 N3 O13 P C(C[C@@H](....
14 1HOP - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
15 5I34 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
16 1P9B - HDA C3 H5 N O4 C(C(=O)O)N....
17 1IWE - IMP C10 H13 N4 O8 P c1nc2c(n1[....
18 1LON - HDA C3 H5 N O4 C(C(=O)O)N....
19 1MF0 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
20 2DGN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
21 1LOO - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
22 1MEZ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
23 1LNY - IMO C10 H14 N4 O11 P2 c1nc2c(c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GDP; Similar ligands found: 160
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 GNP 0.839506 0.973684
6 9GM 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 GDD 0.747253 0.961039
19 GKE 0.747253 0.961039
20 GPG 0.741573 0.961039
21 GDP BEF 0.741176 0.935065
22 GTP MG 0.732558 0.96
23 G3D 0.732558 0.986486
24 ALF 5GP 0.729412 0.888889
25 Y9Z 0.728261 0.902439
26 G5P 0.723404 0.973684
27 GFB 0.72043 0.961039
28 GTG 0.72043 0.936709
29 GDR 0.72043 0.961039
30 G4P 0.715909 0.986486
31 6CK 0.712766 0.936709
32 G3A 0.712766 0.973684
33 GDP ALF 0.7 0.888889
34 GDP AF3 0.7 0.888889
35 YGP 0.698925 0.901235
36 GKD 0.697917 0.961039
37 JB2 0.697917 0.961039
38 GDX 0.690722 0.973684
39 GPD 0.690722 0.925
40 GMP 0.684211 0.88
41 0O2 0.666667 0.986486
42 JB3 0.656863 0.948718
43 NGD 0.650485 0.961039
44 GDP 7MG 0.636364 0.911392
45 DGI 0.636364 0.923077
46 U2G 0.634615 0.936709
47 GPX 0.634409 0.946667
48 IDP 0.632184 0.972973
49 2MD 0.632075 0.891566
50 CAG 0.62963 0.880952
51 KB7 0.629214 0.82716
52 CG2 0.622642 0.936709
53 FEG 0.619048 0.879518
54 MGD 0.614679 0.891566
55 ZGP 0.613208 0.869048
56 GH3 0.612903 0.973333
57 3GP 0.611765 0.946667
58 MD1 0.607143 0.891566
59 PGD 0.59292 0.925
60 DGT 0.591398 0.923077
61 BGO 0.588785 0.924051
62 TPG 0.582609 0.840909
63 DBG 0.582609 0.948718
64 KBD 0.581633 0.82716
65 QBQ 0.576087 0.986486
66 2GP 0.574713 0.96
67 FE9 0.570175 0.776596
68 KBJ 0.558824 0.797619
69 MGP 0.553191 0.961039
70 G4M 0.548387 0.880952
71 6G0 0.547368 0.961039
72 I2C FE2 CMO CMO 0.543103 0.808989
73 G1R G1R 0.542373 0.924051
74 P2G 0.527473 0.883117
75 PGD O 0.525 0.850575
76 ADP 0.522222 0.92
77 R5I 0.520833 0.946667
78 R7I 0.520833 0.946667
79 GGM 0.517544 0.901235
80 DG 0.516484 0.910256
81 DGP 0.516484 0.910256
82 P1G 0.516129 0.871795
83 CZF 0.515789 0.933333
84 G1G 0.508475 0.925
85 IMP 0.505495 0.959459
86 AKW 0.504425 0.890244
87 G C 0.504348 0.9
88 GPC 0.491525 0.879518
89 G7M 0.483871 0.948052
90 6AD 0.479592 0.841463
91 ATP 0.473684 0.92
92 HEJ 0.473684 0.92
93 G2Q 0.471154 0.961039
94 AQP 0.46875 0.92
95 5FA 0.46875 0.92
96 GTA 0.468468 0.936709
97 7DD 0.468085 0.906667
98 SGP 0.463158 0.82716
99 01G 0.462963 0.902439
100 HFD 0.459184 0.873418
101 JSQ 0.459184 0.873418
102 B4P 0.457447 0.894737
103 AP5 0.457447 0.894737
104 A2D 0.456522 0.894737
105 6YZ 0.455446 0.896104
106 ACQ 0.454545 0.896104
107 ANP 0.454545 0.896104
108 5GP 5GP 0.454545 0.883117
109 AT4 0.452632 0.884615
110 APC G U 0.451613 0.886076
111 PRT 0.449541 0.959459
112 ITT 0.447917 0.868421
113 BA3 0.446809 0.894737
114 C2E 0.444444 0.921053
115 35G 0.444444 0.933333
116 PCG 0.444444 0.933333
117 MGO 0.441176 0.864198
118 AN2 0.4375 0.907895
119 NO7 0.436893 0.860759
120 M33 0.43299 0.883117
121 UCG 0.429688 0.911392
122 ACP 0.428571 0.896104
123 MGQ 0.424528 0.935897
124 APR 0.424242 0.894737
125 7DT 0.424242 0.906667
126 AR6 0.424242 0.894737
127 M7G A2M G 0.422819 0.808989
128 93A 0.42268 0.833333
129 A4P 0.420168 0.869048
130 G8D 0.42 0.875
131 AD9 0.42 0.896104
132 AGS 0.42 0.873418
133 CA0 0.418367 0.896104
134 ATF 0.417476 0.884615
135 NYZ 0.415842 0.935897
136 GZ0 0.415254 0.948718
137 AGO 0.414634 0.888889
138 KG4 0.414141 0.896104
139 NIA 0.413043 0.82716
140 MGV 0.412844 0.890244
141 TAT 0.411765 0.884615
142 T99 0.411765 0.884615
143 ADQ 0.411215 0.871795
144 A1R 0.411215 0.839506
145 RGT 0.410714 0.909091
146 CGP 0.409836 0.86747
147 HQG 0.409524 0.907895
148 C1Z 0.409091 0.986486
149 AMP 0.408602 0.893333
150 A 0.408602 0.893333
151 UP5 0.40678 0.873418
152 C2R 0.406593 0.906667
153 AMZ 0.406593 0.918919
154 JBT 0.405882 0.778947
155 A22 0.40566 0.907895
156 25L 0.405405 0.907895
157 ADX 0.40404 0.809524
158 8OD 0.401961 0.946667
159 50T 0.4 0.883117
160 4TC 0.4 0.851852
Ligand no: 2; Ligand: HDA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 HDA 1 1
Ligand no: 3; Ligand: PGS; Similar ligands found: 129
No: Ligand ECFP6 Tc MDL keys Tc
1 PGS 1 1
2 A 0.575 0.857143
3 AMP 0.575 0.857143
4 IMO 0.554217 0.868421
5 6MZ 0.547619 0.846154
6 71V 0.523256 0.923077
7 6IA 0.51087 0.767442
8 2SA 0.5 0.85
9 6C6 0.5 0.804878
10 ADX 0.488889 0.821429
11 7RP 0.488372 0.866667
12 ADP 0.483146 0.883117
13 7RA 0.482759 0.846154
14 P2P 0.482759 0.844156
15 ABM 0.482759 0.8125
16 45A 0.482759 0.8125
17 A2D 0.482759 0.858974
18 RMB 0.482759 0.815789
19 25A 0.479592 0.858974
20 AMP MG 0.476744 0.844156
21 SRA 0.476744 0.884615
22 AIR 0.475 0.794872
23 M33 0.472527 0.848101
24 ITT 0.472527 0.881579
25 AP2 0.47191 0.85
26 BA3 0.47191 0.858974
27 A12 0.47191 0.85
28 PMO 0.47191 0.794872
29 N6P 0.47 0.855263
30 HEJ 0.467391 0.883117
31 ATP 0.467391 0.883117
32 B4P 0.466667 0.858974
33 AP5 0.466667 0.858974
34 1RB 0.465116 0.826667
35 6K6 0.464646 0.846154
36 C2R 0.464286 0.8
37 AMZ 0.464286 0.810127
38 5FA 0.462366 0.883117
39 AQP 0.462366 0.883117
40 APC 0.462366 0.85
41 AN2 0.461538 0.871795
42 AT4 0.461538 0.922078
43 RBZ 0.45977 0.794872
44 NO7 0.459184 0.85
45 CA0 0.456522 0.8375
46 AU1 0.456522 0.860759
47 NIA 0.453488 0.752941
48 KG4 0.451613 0.8375
49 ACP 0.451613 0.860759
50 50T 0.451613 0.848101
51 8LH 0.44898 0.804878
52 T99 0.447917 0.922078
53 TAT 0.447917 0.922078
54 ACQ 0.447917 0.860759
55 AR6 0.446809 0.858974
56 PRX 0.446809 0.792683
57 APR 0.446809 0.858974
58 ADP BEF 0.445652 0.857143
59 ADP MG 0.445652 0.857143
60 HQG 0.444444 0.871795
61 5AL 0.443299 0.825
62 K2R 0.442308 0.825
63 RBY 0.442105 0.82716
64 AGS 0.442105 0.910256
65 ADV 0.442105 0.82716
66 AD9 0.442105 0.860759
67 A22 0.44 0.871795
68 8QN 0.435644 0.825
69 SRP 0.434343 0.804878
70 6YZ 0.434343 0.860759
71 FAI 0.433333 0.810127
72 AAM 0.433333 0.857143
73 JLN 0.433333 0.810127
74 ANP 0.43299 0.860759
75 ADQ 0.431373 0.8375
76 V2G 0.428571 0.797619
77 8LE 0.428571 0.795181
78 PTJ 0.428571 0.797619
79 ADP PO3 0.427083 0.857143
80 ATP MG 0.427083 0.857143
81 APC MG 0.427083 0.835443
82 8LQ 0.425743 0.804878
83 QA7 0.425743 0.795181
84 G 0.425532 0.804878
85 5GP 0.425532 0.804878
86 ALF ADP 0.424242 0.795181
87 ATF 0.424242 0.85
88 BEF ADP 0.42268 0.835443
89 O02 0.42268 0.819277
90 OOB 0.421569 0.825
91 9ZD 0.421569 0.807229
92 9ZA 0.421569 0.807229
93 5SV 0.421569 0.755814
94 IMP 0.419355 0.825
95 GAP 0.418367 0.814815
96 AMO 0.417476 0.82716
97 4AD 0.417476 0.839506
98 A3R 0.417476 0.807229
99 PAJ 0.417476 0.788235
100 ME8 0.415094 0.770115
101 93A 0.414894 0.802326
102 SON 0.414894 0.82716
103 6AD 0.414141 0.924051
104 AHX 0.413462 0.797619
105 JNT 0.413462 0.8375
106 00A 0.413462 0.785714
107 MAP 0.411765 0.839506
108 DAL AMP 0.411765 0.825
109 25L 0.411215 0.871795
110 VO4 ADP 0.41 0.860759
111 ANP MG 0.41 0.848101
112 3UK 0.409524 0.814815
113 ADP BMA 0.409524 0.8375
114 A2P 0.408602 0.844156
115 HFD 0.408163 0.839506
116 JSQ 0.408163 0.839506
117 OZV 0.407767 0.858974
118 DTA 0.406977 0.7375
119 AOC 0.406593 0.725
120 LAD 0.40566 0.767442
121 A1R 0.403846 0.807229
122 RGT 0.40367 0.85
123 FYA 0.401869 0.802469
124 NB8 0.401869 0.797619
125 1ZZ 0.401869 0.75
126 TXA 0.401869 0.82716
127 DLL 0.4 0.825
128 LMS 0.4 0.77907
129 ARU 0.4 0.788235
Similar Ligands (3D)
Ligand no: 1; Ligand: GDP; Similar ligands found: 93
No: Ligand Similarity coefficient
1 ADP MG 0.9864
2 GDP MG 0.9797
3 DAT 0.9680
4 ALF GDP 0.9549
5 A12 0.9524
6 BEF GDP 0.9486
7 AU1 0.9476
8 CUU 0.9442
9 SON 0.9417
10 TYD 0.9414
11 M7G 0.9411
12 ADP ALF 0.9391
13 ADP BEF 0.9391
14 ADP AF3 0.9391
15 BEF ADP 0.9383
16 GAP 0.9328
17 O02 0.9303
18 G5A 0.9285
19 AP2 0.9265
20 5AL 0.9252
21 8GD 0.9250
22 M7M 0.9212
23 AV2 0.9211
24 DAL AMP 0.9209
25 PRX 0.9194
26 UDP 0.9193
27 8LE 0.9188
28 SRP 0.9155
29 SAM 0.9145
30 A5A 0.9126
31 GJV 0.9116
32 NWZ 0.9106
33 CDP 0.9093
34 MGT 0.9090
35 YYY 0.9086
36 5CA 0.9069
37 XMP 0.9066
38 EO7 0.9060
39 SSA 0.9052
40 DSH 0.9051
41 71V 0.9041
42 2A5 0.8973
43 TBD 0.8937
44 CDP MG 0.8931
45 SAH 0.8927
46 IMU 0.8919
47 6RE 0.8917
48 J7C 0.8916
49 7D3 0.8915
50 8LH 0.8914
51 DUD 0.8888
52 NX8 0.8885
53 6CG 0.8882
54 ABM 0.8881
55 8X1 0.8861
56 FMP 0.8855
57 LMS 0.8847
58 8GM 0.8842
59 DTP 0.8842
60 D4D 0.8817
61 C8M 0.8813
62 EEM 0.8812
63 SFG 0.8795
64 8OP 0.8780
65 ADP PO3 0.8775
66 D5M 0.8773
67 IRP 0.8767
68 PAP 0.8765
69 HDV 0.8759
70 ATR 0.8755
71 APC 0.8746
72 N5O 0.8734
73 A3N 0.8728
74 AS 0.8705
75 ATY 0.8684
76 54H 0.8676
77 TSB 0.8674
78 ME8 0.8672
79 HF7 0.8667
80 6MA 0.8654
81 SAI 0.8651
82 DUN 0.8649
83 LSS 0.8640
84 5FU 0.8638
85 P5A 0.8634
86 8QN 0.8633
87 DZ4 0.8609
88 CNU 0.8603
89 NVA LMS 0.8600
90 FNU 0.8593
91 TKW 0.8580
92 MOD 0.8567
93 MSP 0.8549
Ligand no: 2; Ligand: HDA; Similar ligands found: 652
No: Ligand Similarity coefficient
1 IHG 0.9855
2 MLI 0.9706
3 OAA 0.9679
4 NMG 0.9655
5 PCA 0.9641
6 UY7 0.9641
7 98J 0.9634
8 DMG 0.9616
9 MLA 0.9610
10 MLT 0.9607
11 FUM 0.9596
12 PRO 0.9577
13 SIN 0.9577
14 UYA 0.9570
15 ITN 0.9568
16 DSN 0.9567
17 THR 0.9565
18 FBJ 0.9562
19 LMR 0.9547
20 P2D 0.9540
21 3HR 0.9529
22 XBT 0.9520
23 NXA 0.9516
24 54D 0.9512
25 3HL 0.9509
26 ASN 0.9509
27 SSN 0.9506
28 IQ0 0.9506
29 DAS 0.9506
30 UGC 0.9499
31 VKC 0.9498
32 4MV 0.9497
33 CRN 0.9496
34 LLQ 0.9495
35 C5J 0.9494
36 LEA 0.9486
37 PAH 0.9484
38 IOM 0.9480
39 IPU 0.9478
40 MRY 0.9475
41 23W 0.9473
42 OKG 0.9473
43 2PC 0.9470
44 TZL 0.9467
45 ZBT 0.9467
46 GLY ALA 0.9464
47 03W 0.9463
48 TEO 0.9463
49 HSM 0.9462
50 TFB 0.9448
51 HSE 0.9447
52 SGL 0.9447
53 DPR 0.9446
54 7WG 0.9443
55 SER 0.9443
56 LER 0.9441
57 IVA 0.9431
58 BP9 0.9429
59 A3B 0.9429
60 3PY 0.9428
61 CYS 0.9428
62 COI 0.9425
63 SHF 0.9425
64 LEU 0.9421
65 MAE 0.9419
66 ILE 0.9411
67 1DU 0.9411
68 6NA 0.9411
69 AAE 0.9410
70 T2C 0.9410
71 ASP 0.9410
72 MZW 0.9408
73 IXW 0.9406
74 CMS 0.9405
75 HIU 0.9404
76 69O 0.9402
77 HV2 0.9401
78 FPI 0.9393
79 MLM 0.9391
80 DUC 0.9391
81 HTX 0.9390
82 H95 0.9385
83 FW5 0.9384
84 SPA 0.9383
85 OHG 0.9383
86 2RA 0.9377
87 HZP 0.9376
88 DXX 0.9367
89 2KT 0.9365
90 DE2 0.9361
91 9X7 0.9359
92 1SP 0.9357
93 ABU 0.9356
94 VAL 0.9355
95 ABA 0.9354
96 273 0.9350
97 HX2 0.9344
98 2RH 0.9342
99 KIV 0.9340
100 ODV 0.9338
101 9YL 0.9335
102 AC5 0.9335
103 SHO 0.9334
104 PY7 0.9329
105 JZ5 0.9326
106 RBL 0.9324
107 SYN 0.9320
108 B24 0.9315
109 ABN 0.9306
110 THE 0.9304
111 M6W 0.9302
112 PRS 0.9298
113 GUA 0.9298
114 NBE 0.9294
115 XRG 0.9291
116 2HE 0.9290
117 H3M 0.9290
118 DAB 0.9289
119 PYJ 0.9288
120 SMB 0.9288
121 DAV 0.9286
122 DTL 0.9285
123 QDK 0.9284
124 PRI 0.9282
125 DBB 0.9279
126 HYP 0.9277
127 HPY 0.9275
128 CRS 0.9270
129 APY 0.9270
130 XLS 0.9269
131 FBA 0.9263
132 1KA 0.9263
133 NVA 0.9260
134 TAR 0.9260
135 192 0.9259
136 TLA 0.9256
137 C2N 0.9256
138 ROR 0.9254
139 RSO 0.9254
140 DCL 0.9253
141 AMC 0.9253
142 PAE 0.9252
143 JAB 0.9250
144 C2B 0.9250
145 DGY 0.9244
146 HVQ 0.9242
147 BVC 0.9242
148 49F 0.9240
149 HBA 0.9240
150 5AC 0.9238
151 AKB 0.9230
152 HUI 0.9228
153 JBN 0.9228
154 GLL 0.9228
155 CP 0.9225
156 BAE 0.9225
157 4JL 0.9223
158 R2B 0.9223
159 HBX 0.9216
160 PEP 0.9215
161 SPV 0.9215
162 HYA 0.9213
163 MPD 0.9213
164 SRT 0.9212
165 ALO 0.9209
166 2MH 0.9203
167 A2Q 0.9203
168 DYA 0.9202
169 OK7 0.9202
170 MRZ 0.9200
171 OEG 0.9196
172 YCP 0.9196
173 AL0 0.9196
174 BUB 0.9195
175 4JU 0.9193
176 DMV 0.9187
177 XYL 0.9183
178 RB5 0.9183
179 RB0 0.9183
180 PG3 0.9181
181 282 0.9180
182 BML 0.9179
183 PGA 0.9178
184 IZC 0.9175
185 CYH 0.9173
186 X1S 0.9170
187 AKG 0.9169
188 OXQ 0.9167
189 4VP 0.9161
190 FCN 0.9161
191 MZ0 0.9160
192 XUL 0.9158
193 PPR 0.9158
194 3BB 0.9157
195 XAP 0.9156
196 CXL 0.9155
197 EHM 0.9154
198 1MR 0.9153
199 1DQ 0.9149
200 S0H 0.9148
201 KG7 0.9148
202 V1L 0.9148
203 CEJ 0.9146
204 HY3 0.9145
205 2CO 0.9144
206 BXO 0.9143
207 ECE 0.9141
208 HCS 0.9140
209 284 0.9135
210 ISZ 0.9134
211 2EZ 0.9132
212 PUT 0.9131
213 OGA 0.9130
214 G2H 0.9129
215 JYD 0.9129
216 2IM 0.9126
217 ICN 0.9126
218 BVG 0.9125
219 IPH 0.9125
220 OEM 0.9123
221 BUA 0.9123
222 HL5 0.9122
223 7N0 0.9122
224 IMR 0.9122
225 9CL 0.9121
226 O8Y 0.9120
227 MEV 0.9120
228 HE2 0.9119
229 40E 0.9118
230 VAH 0.9118
231 MAK 0.9118
232 FSG 0.9116
233 PEL 0.9115
234 DCY 0.9115
235 FPK 0.9115
236 TZZ 0.9114
237 PEA 0.9114
238 JZ7 0.9112
239 CHT 0.9112
240 RSF 0.9112
241 5FX 0.9111
242 HY1 0.9109
243 3V4 0.9107
244 FQI 0.9107
245 ICF 0.9106
246 SMV 0.9106
247 SAR 0.9105
248 3PP 0.9101
249 6PC 0.9101
250 MUC 0.9101
251 285 0.9101
252 DGL 0.9100
253 2IT 0.9100
254 NVI 0.9098
255 PAF 0.9098
256 4JM 0.9098
257 SKG 0.9096
258 GLY GLY 0.9096
259 BHO 0.9092
260 NIZ 0.9092
261 ICC 0.9091
262 SC2 0.9091
263 271 0.9087
264 RUU 0.9087
265 OPE 0.9085
266 ORN 0.9085
267 SS2 0.9085
268 SAT 0.9083
269 EGD 0.9083
270 ETX 0.9082
271 1SA 0.9079
272 LDU 0.9079
273 A20 0.9078
274 2DR 0.9078
275 3GR 0.9077
276 DPF 0.9076
277 RNS 0.9076
278 39J 0.9075
279 TB6 0.9074
280 CXF 0.9073
281 WTZ 0.9072
282 PGH 0.9072
283 13P 0.9069
284 4CH 0.9068
285 QY9 0.9067
286 BAL 0.9067
287 TP5 0.9065
288 4CS 0.9065
289 7VD 0.9065
290 KPL 0.9064
291 51F 0.9061
292 FOA 0.9061
293 OXL 0.9060
294 6JN 0.9059
295 KMH 0.9059
296 R1X 0.9057
297 PCT 0.9057
298 XM0 0.9057
299 URP 0.9056
300 CEE 0.9053
301 N6C 0.9050
302 BU4 0.9050
303 GAG 0.9049
304 7A8 0.9049
305 LNO 0.9048
306 GLU 0.9047
307 FBM 0.9044
308 DGN 0.9044
309 QSC 0.9043
310 HIO 0.9041
311 GXV 0.9041
312 GBD 0.9040
313 CSS 0.9040
314 F9P 0.9039
315 CFI 0.9038
316 GP9 0.9036
317 ITU 0.9035
318 GLY CYS 0.9034
319 SNE 0.9033
320 RNT 0.9031
321 TZE 0.9030
322 G3P 0.9023
323 G3H 0.9023
324 LAC 0.9023
325 8EZ 0.9023
326 9J3 0.9021
327 TMH 0.9019
328 MNN 0.9019
329 PZI 0.9018
330 2AL 0.9018
331 QFH 0.9017
332 34V 0.9017
333 POA 0.9016
334 PBC 0.9013
335 717 0.9011
336 ONL 0.9011
337 DTT 0.9010
338 FEH 0.9007
339 URQ 0.9006
340 PZA 0.9005
341 BAM 0.9005
342 BEN 0.9004
343 NLE 0.9004
344 MXN 0.9003
345 PYF 0.9002
346 4HA 0.9001
347 GOL 0.8999
348 PYC 0.8998
349 SMN 0.8995
350 8X3 0.8994
351 PE9 0.8990
352 AC0 0.8989
353 9RW 0.8988
354 8EW 0.8985
355 BMD 0.8984
356 1AB 0.8983
357 C21 0.8982
358 TZC 0.8980
359 BNS 0.8980
360 TAU 0.8980
361 1DV 0.8978
362 1AC 0.8977
363 FLA 0.8976
364 PKU 0.8976
365 MED 0.8975
366 23B 0.8974
367 PG0 0.8971
368 47J 0.8971
369 URF 0.8969
370 I1E 0.8967
371 GLN 0.8966
372 NBN 0.8963
373 1CO 0.8963
374 BHH 0.8962
375 1DJ 0.8962
376 0V5 0.8961
377 HSO 0.8960
378 NIO 0.8960
379 NTN 0.8960
380 3SL 0.8959
381 HAI 0.8959
382 PXY 0.8958
383 M58 0.8956
384 GGL 0.8954
385 HQE 0.8951
386 MEQ 0.8949
387 3OH 0.8946
388 BEZ 0.8945
389 25T 0.8945
390 GZ3 0.8944
391 1SH 0.8944
392 K34 0.8943
393 L60 0.8943
394 H8N 0.8942
395 PCR 0.8940
396 AOA 0.8939
397 AML 0.8939
398 KOJ 0.8938
399 YRL 0.8937
400 4HS 0.8936
401 4SD 0.8934
402 KMT 0.8934
403 PLQ 0.8933
404 DTU 0.8933
405 P7I 0.8930
406 Z6J 0.8929
407 XPO 0.8928
408 60P 0.8926
409 RP7 0.8925
410 2AS 0.8924
411 FPY 0.8923
412 9X6 0.8923
413 O7U 0.8923
414 BTL 0.8922
415 NCA 0.8921
416 FPN 0.8920
417 PHB 0.8920
418 280 0.8917
419 PPF 0.8917
420 LG4 0.8916
421 FAN 0.8915
422 ISU 0.8915
423 14J 0.8915
424 TPA 0.8914
425 NPO 0.8913
426 DA1 0.8913
427 1PT 0.8912
428 P72 0.8912
429 SEP 0.8909
430 HIS 0.8908
431 25R 0.8908
432 1DH 0.8907
433 EDG 0.8907
434 WBU 0.8904
435 IT2 0.8903
436 GG6 0.8901
437 PAC 0.8898
438 AHR 0.8897
439 PPV 0.8896
440 VX 0.8895
441 4FA 0.8892
442 BUQ 0.8891
443 9TY 0.8891
444 RCO 0.8891
445 24B 0.8890
446 MET 0.8888
447 3OC 0.8887
448 VGL 0.8886
449 RBJ 0.8884
450 I2M 0.8883
451 MLE 0.8883
452 PZM 0.8881
453 SD4 0.8881
454 2LP 0.8879
455 MD0 0.8879
456 I4B 0.8873
457 JZ1 0.8873
458 R8A 0.8872
459 SS1 0.8871
460 BSX 0.8869
461 L3Q 0.8867
462 IDM 0.8866
463 93B 0.8866
464 CIZ 0.8864
465 32O 0.8860
466 PHU 0.8859
467 DGJ 0.8858
468 NSP 0.8858
469 2PN 0.8857
470 4JN 0.8856
471 ZZT 0.8850
472 MBN 0.8847
473 AEF 0.8846
474 PEQ 0.8846
475 TAY 0.8845
476 MEU 0.8843
477 3SS 0.8843
478 8OZ 0.8841
479 PAB 0.8836
480 3CH 0.8836
481 2XX 0.8831
482 265 0.8830
483 DEN 0.8828
484 AG2 0.8827
485 278 0.8826
486 YHO 0.8826
487 1LN 0.8825
488 JZ3 0.8821
489 AC6 0.8820
490 COM 0.8819
491 C2A 0.8819
492 ACH 0.8815
493 UNU 0.8814
494 HMH 0.8813
495 1P3 0.8812
496 TNE 0.8811
497 AHB 0.8811
498 4XR 0.8811
499 RIB 0.8809
500 24T 0.8808
501 HYN 0.8808
502 7CL 0.8806
503 2HA 0.8803
504 K6H 0.8802
505 PIS 0.8799
506 NBZ 0.8796
507 IOL 0.8795
508 ETM 0.8792
509 HBD 0.8790
510 826 0.8790
511 PBZ 0.8788
512 ALA ALA 0.8786
513 FOC 0.8786
514 DAL DAL 0.8783
515 SLP 0.8782
516 1MC 0.8780
517 XYS 0.8776
518 IF7 0.8776
519 3AB 0.8773
520 Z82 0.8773
521 8H8 0.8769
522 GXE 0.8769
523 DQY 0.8769
524 1Y6 0.8769
525 J1Z 0.8760
526 NK 0.8760
527 GAB 0.8759
528 SYM 0.8759
529 MTG 0.8758
530 RMN 0.8758
531 0MK 0.8757
532 GRO 0.8756
533 2FT 0.8756
534 9SB 0.8753
535 DPJ 0.8752
536 PMB 0.8749
537 2PG 0.8748
538 4MA 0.8748
539 4HO 0.8747
540 XIX 0.8747
541 POP 0.8746
542 270 0.8745
543 AX7 0.8745
544 PRY 0.8743
545 2MI 0.8743
546 JZ9 0.8739
547 GJZ 0.8738
548 D2P 0.8737
549 M4T 0.8731
550 MCT 0.8729
551 F60 0.8729
552 1GP 0.8724
553 JZ4 0.8723
554 286 0.8720
555 ABV 0.8718
556 ARB 0.8718
557 4JT 0.8717
558 RIP 0.8714
559 R9S 0.8710
560 ABE 0.8710
561 GAL 0.8709
562 2K4 0.8707
563 DHS 0.8704
564 FJO 0.8703
565 TH7 0.8703
566 SW7 0.8703
567 5H1 0.8702
568 OXZ 0.8702
569 53C 0.8702
570 6AI 0.8700
571 5MI 0.8698
572 MSE 0.8694
573 TH0 0.8694
574 4ZE 0.8694
575 BE2 0.8693
576 IFM 0.8690
577 LZ1 0.8689
578 LRH 0.8689
579 SAL 0.8687
580 3PG 0.8687
581 MZG 0.8687
582 8K2 0.8685
583 TFS 0.8683
584 DFB 0.8682
585 URS 0.8681
586 14O 0.8680
587 8CL 0.8680
588 3SK 0.8679
589 PTO 0.8677
590 DFU 0.8677
591 IFL 0.8674
592 TTO 0.8673
593 HHN 0.8670
594 BZI 0.8670
595 FA1 0.8670
596 XYD 0.8669
597 5HY 0.8668
598 JZ2 0.8667
599 4CL 0.8664
600 FYU 0.8664
601 IND 0.8662
602 4JJ 0.8662
603 0R1 0.8660
604 XBZ 0.8660
605 BZX 0.8657
606 5MH 0.8655
607 ICP 0.8653
608 TDR 0.8651
609 5MB 0.8650
610 5JC 0.8649
611 HX3 0.8647
612 FB2 0.8645
613 3HB 0.8643
614 MPI 0.8642
615 BZF 0.8642
616 2TQ 0.8642
617 H76 0.8641
618 MWM 0.8639
619 0R0 0.8639
620 XYP 0.8637
621 34A 0.8634
622 0CT 0.8630
623 EFS 0.8630
624 BR9 0.8626
625 2CK 0.8626
626 MWJ 0.8626
627 SVJ 0.8625
628 AZF 0.8625
629 A1U 0.8624
630 FCR 0.8622
631 4JP 0.8622
632 PMF 0.8621
633 GVH 0.8619
634 PIH 0.8612
635 11S 0.8611
636 174 0.8604
637 5UC 0.8604
638 6M4 0.8602
639 4NC 0.8585
640 TIU 0.8582
641 2YU 0.8580
642 HT4 0.8580
643 IT9 0.8574
644 ES9 0.8560
645 FK1 0.8560
646 DMJ 0.8558
647 XSP 0.8558
648 XX2 0.8553
649 VNJ 0.8541
650 ES6 0.8539
651 H4N 0.8530
652 JKE 0.8512
Ligand no: 3; Ligand: PGS; Similar ligands found: 1
No: Ligand Similarity coefficient
1 DOI 0.9539
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1QF5; Ligand: GDP; 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: 1qf5.bio1) has 48 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1QF5; Ligand: GDP; 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: 1qf5.bio1) has 48 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1QF5; Ligand: RPL; 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: 1qf5.bio1) has 48 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1QF5; Ligand: RPL; 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: 1qf5.bio1) has 48 residues
No: Leader PDB Ligand Sequence Similarity
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