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Receptor
PDB id Resolution Class Description Source Keywords
5I34 1.53 Å EC: 6.3.4.4 ADENYLOSUCCINATE SYNTHETASE FROM CRYPTOCOCCUS NEOFORMANS COM WITH GDP AND IMP CRYPTOCOCCUS NEOFORMANS VAR. GRUBII SE(STRAIN H99 / ATCC 208821 / CBS 10515 / FGSC 9487) DIMER ADENYLOSUCCINATE SYNTHETASE PURINE METABOLISM LIGAS
Ref.: DISRUPTION OF DE NOVO ADENOSINE TRIPHOSPHATE (ATP) BIOSYNTHESIS ABOLISHES VIRULENCE IN CRYPTOCOCCUS NE ACS INFECT DIS. V. 2 651 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IMP A:502;
B:502;
Valid;
Valid;
none;
none;
submit data
348.206 C10 H13 N4 O8 P c1nc2...
GDP B:501;
A:501;
Valid;
Valid;
none;
none;
submit data
443.201 C10 H15 N5 O11 P2 c1nc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5I34 1.53 Å EC: 6.3.4.4 ADENYLOSUCCINATE SYNTHETASE FROM CRYPTOCOCCUS NEOFORMANS COM WITH GDP AND IMP CRYPTOCOCCUS NEOFORMANS VAR. GRUBII SE(STRAIN H99 / ATCC 208821 / CBS 10515 / FGSC 9487) DIMER ADENYLOSUCCINATE SYNTHETASE PURINE METABOLISM LIGAS
Ref.: DISRUPTION OF DE NOVO ADENOSINE TRIPHOSPHATE (ATP) BIOSYNTHESIS ABOLISHES VIRULENCE IN CRYPTOCOCCUS NE ACS INFECT DIS. V. 2 651 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5I34 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5I34 - GDP C10 H15 N5 O11 P2 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
Ligand no: 1; Ligand: IMP; Similar ligands found: 76
No: Ligand ECFP6 Tc MDL keys Tc
1 IMP 1 1
2 IDP 0.824324 0.986111
3 R7I 0.759494 0.958904
4 R5I 0.759494 0.958904
5 NOS 0.724638 0.835616
6 5GP 0.609756 0.972603
7 G 0.609756 0.972603
8 DI 0.578313 0.92
9 SIB 0.549451 0.772152
10 93A 0.523256 0.841463
11 GDP 0.505495 0.959459
12 GP3 0.494505 0.934211
13 C2R 0.493827 0.891892
14 GTP 0.489362 0.959459
15 GP2 0.48913 0.922078
16 GNH 0.483871 0.946667
17 G2P 0.479167 0.922078
18 AMZ 0.47561 0.90411
19 SNI 0.475 0.8
20 GMV 0.473684 0.934211
21 GAV 0.469388 0.922078
22 GCP 0.46875 0.934211
23 G1R 0.46875 0.946667
24 AIR 0.468354 0.888889
25 PRT 0.466019 0.972222
26 NIA 0.464286 0.835443
27 9GM 0.463918 0.934211
28 GNP 0.463918 0.934211
29 GSP 0.463918 0.910256
30 AMP 0.458824 0.90411
31 1RB 0.458824 0.847222
32 A 0.458824 0.90411
33 ALF 5GP 0.458333 0.875
34 6SW 0.456522 0.930556
35 RBZ 0.453488 0.837838
36 GPG 0.45098 0.922078
37 7RP 0.448276 0.888889
38 GKE 0.447619 0.922078
39 GDC 0.447619 0.922078
40 GDD 0.447619 0.922078
41 RMB 0.443182 0.835616
42 AAM 0.443182 0.90411
43 P2P 0.443182 0.864865
44 IMO 0.443182 0.890411
45 7RA 0.443182 0.891892
46 FAI 0.443182 0.90411
47 JLN 0.443182 0.90411
48 G2R 0.441176 0.922078
49 G7M 0.43956 0.934211
50 XMP 0.438202 0.932432
51 IRN 0.435897 0.830986
52 Y9Z 0.433962 0.865854
53 71V 0.433333 0.825
54 PMO 0.433333 0.813333
55 GDP AF3 0.431373 0.875
56 ALF GDP 0.431373 0.875
57 GDP ALF 0.431373 0.875
58 JB2 0.431193 0.922078
59 GKD 0.431193 0.922078
60 GFB 0.429907 0.922078
61 GDR 0.429907 0.922078
62 6CK 0.425926 0.898734
63 G3A 0.425926 0.934211
64 YGP 0.424528 0.8875
65 G5P 0.422018 0.934211
66 PGS 0.419355 0.825
67 GTG 0.416667 0.898734
68 RVP 0.416667 0.837838
69 GDX 0.414414 0.934211
70 GUO 0.41 0.931507
71 GMP 0.406977 0.84
72 U2G 0.405172 0.898734
73 2SA 0.40404 0.894737
74 G G 0.40367 0.934211
75 6C6 0.402062 0.846154
76 GPD 0.401786 0.8875
Ligand no: 2; 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5I34; Ligand: GDP; Similar sites found with APoc: 503
This union binding pocket(no: 1) in the query (biounit: 5i34.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 5WC2 ADP 1.15741
2 4XGU ADP 1.17925
3 4DCT GDP 1.36054
4 4RD0 GDP 1.44578
5 5W75 GDP 1.53061
6 2FSH ANP 1.5873
7 1YLH PYR 1.5873
8 2A8X FAD 1.5873
9 4IHQ ADP 1.5873
10 5W7Q GDP 1.60858
11 3EC1 GDP 1.62602
12 4P4T GDP 1.66667
13 3AB1 FAD 1.66667
14 1NY5 ADP 1.80879
15 2D7D ADP 1.81406
16 5CX8 TG6 1.81406
17 4J0Q GDP 1.84758
18 6AU6 GDP 1.85676
19 1YRB GDP 1.9084
20 2RCN GDP 1.95531
21 1SVK ALF GDP 1.983
22 1WF3 GNP 1.99336
23 3FPF TNA 2.01342
24 3FPF MTA 2.01342
25 4RZ3 ADP 2.0339
26 1WDT GTP 2.04082
27 6DEF GCP 2.04604
28 1SVI GDP 2.05128
29 1Y3A GDP 2.12766
30 2OM2 GDP 2.15385
31 1YZN GNP 2.16216
32 4H1V GNP 2.16802
33 1ZCB GDP 2.20994
34 1BH2 GSP 2.22222
35 5M04 GDP 2.22222
36 1H65 GDP 2.22222
37 3MD0 GDP 2.25352
38 1GOJ ADP 2.25352
39 1DAR GDP 2.26757
40 2GK6 ADP 2.26757
41 4YS0 ADP 2.26757
42 3LAD FAD 2.26757
43 1SKQ GDP 2.29885
44 1Z08 GNP 2.35294
45 2JJK R15 2.36686
46 6G14 G4P 2.38095
47 3TK1 GDP 2.42424
48 3E70 GDP 2.43902
49 1GVF PGH 2.44755
50 3DKP ADP 2.44898
51 2C77 GNP 2.46914
52 2C78 GNP 2.46914
53 4A4Z ANP 2.49433
54 1YTM ATP 2.49433
55 1X6V ADP 2.49433
56 1BZL FAD 2.49433
57 1D2E GDP 2.51889
58 5K5Z ANP 2.54777
59 5IRR GSP 2.5974
60 3WCZ CIT 2.5974
61 5KUT GDP 2.6455
62 3ELW SAM 2.66667
63 3ELW GP3 2.66667
64 1ZJ6 G3D 2.6738
65 3FKQ ATP 2.68097
66 2BME GNP 2.68817
67 5EXT ADP 2.69231
68 3GRU AMP 2.71186
69 4LY9 S6P 2.72109
70 3KJI ADP 2.75591
71 2EFE GNH 2.76243
72 4TTQ ATP 2.7907
73 1NJF AGS 2.8
74 1PUJ GNP 2.83688
75 1Z0A GDP 2.87356
76 2I4I AMP 2.8777
77 3P4X ADP 2.90557
78 2XT3 ADP 2.90698
79 4U36 TNR 2.91667
80 5L3W GDP 2.94118
81 1R2Q GNP 2.94118
82 3VMF GTP 2.95455
83 1MKY GDP 2.96128
84 5U32 GDP 2.9661
85 2Y65 ADP 3.0137
86 6B4K ANP 3.02326
87 4USQ FAD 3.04709
88 1XSE NDP 3.05085
89 2OG2 MLI 3.06407
90 5GOE GDP 3.08057
91 1E7S NAP 3.11526
92 3GJ7 GDP 3.16742
93 3GJ3 GDP 3.16742
94 3GJ0 GDP 3.16742
95 3GJ4 GDP 3.16742
96 3GJ5 GDP 3.16742
97 1KK1 GNP 3.17073
98 1G7S GDP 3.1746
99 1OYY AGS 3.1746
100 5MZN ADP 3.1746
101 4TMZ GSP 3.18841
102 3QJ4 FAD 3.21637
103 3CH5 GDP 3.24074
104 1IBR GNP 3.24074
105 3GJX GTP 3.24074
106 3AB3 GDP 3.25203
107 5OVL NAP 3.33333
108 5JCP GDP ALF 3.34129
109 1Z0F GDP 3.35196
110 2FNA ADP 3.36134
111 4LZB URA 3.36134
112 3LRE ADP 3.38028
113 1BG2 ADP 3.38462
114 2XTZ GSP 3.38983
115 2E5V FAD 3.40136
116 2Z7R STU 3.42679
117 4D0G GTP 3.42857
118 3WXM GTP 3.45745
119 4NON GDP 3.46154
120 1G16 GDP 3.52941
121 1LVG ADP 3.53535
122 5KSZ GCP 3.53774
123 4LC1 GDP 3.56083
124 1IHU ADP 3.56537
125 1IHU AF3 3.56537
126 5AHO TLA 3.57143
127 5N9Z CAP 3.59712
128 1RJ9 GCP 3.61842
129 4WZA ADP 3.62319
130 4WZA ACP 3.62319
131 1JUV NDP 3.62694
132 3ETG GTP 3.62812
133 2E7Z MGD 3.62812
134 5WS9 OXL 3.62812
135 4YKG FAD 3.62812
136 6CS8 F9Y 3.63036
137 1TQ4 GDP 3.63196
138 3B9Q MLI 3.64238
139 1W0J ADP 3.67647
140 4DKX GDP 3.7037
141 5ULP KB1 3.73134
142 5CUQ NSC 3.74532
143 5L3R GCP 3.75427
144 1FP6 ADP 3.80623
145 4YAG NAI 3.80623
146 3FWY ADP 3.82166
147 5UWS GNP 3.85488
148 5UWO GNP 3.85488
149 5UWQ GNP 3.85488
150 5DIF GNP 3.85488
151 5UWH GNP 3.85488
152 5UWU GNP 3.85488
153 5UWW GNP 3.85488
154 5UWR GNP 3.85488
155 5UWI GNP 3.85488
156 6CIT GNP 3.85488
157 5UWJ GNP 3.85488
158 5UWT GNP 3.85488
159 5UWP GNP 3.85488
160 4HAT GNP 3.85488
161 6CUZ FEV 3.86598
162 2IYL GDP 3.87324
163 3H4S ADP 3.88601
164 3WY9 GDP 3.91705
165 3WYA GDP 3.91705
166 3W5J GDP 3.92157
167 3CX8 GSP 3.94089
168 3IUY AMP 3.94737
169 1S8F GDP 3.9548
170 4REP FAD 4.08163
171 4ZKD GDP 4.08163
172 3AFN NAP 4.08163
173 2V0C LEU LMS 4.08163
174 4PX9 ADP 4.10959
175 4KVA GTP 4.12621
176 3QXC ATP 4.13223
177 5C9P FUC 4.19948
178 5J1J ANP 4.21053
179 4RKK GLC GLC GLC GLC GLC GLC 4.21687
180 5UQW GDP 4.2328
181 5OCG GNP 4.2328
182 3ZS9 ADP ALF 4.23729
183 2WOJ ADP ALF 4.23729
184 1T5C ADP 4.29799
185 2QN6 GDP 4.30108
186 4ZDJ UTP 4.30839
187 3N5C GDP 4.32099
188 3PCR GTP 4.32099
189 2OBM ADP 4.32277
190 3GJ8 GDP 4.34783
191 3DZD ADP 4.34783
192 4E03 ADP 4.36893
193 1JJV ATP 4.36893
194 2HF9 GSP 4.42478
195 2Y8E GNP 4.46927
196 3CPJ GDP 4.4843
197 3COB ADP 4.53515
198 5LEF GTP 4.54545
199 6FA4 GNP 4.62428
200 1G3Q ADP 4.64135
201 6AIC AMP 4.6729
202 5W76 GDP 4.67532
203 2O0J ADP 4.67532
204 2UVO NAG 4.67836
205 2FFQ GSP 4.67836
206 2UVO NDG 4.67836
207 4K81 GTP 4.67836
208 2CJW GDP 4.6875
209 1YZQ GNP 4.70588
210 3Q85 GNP 4.73373
211 1M7G AV2 4.73934
212 1M7G ADX 4.73934
213 5E95 GDP 4.7619
214 1U8Z GDP 4.7619
215 5LB3 ADP 4.7619
216 3TBK ANP 4.7619
217 1WDD CAP 4.7619
218 6D5E GNP 4.79042
219 6D5V GNP 4.79042
220 6D5M GNP 4.79042
221 6D5G GNP 4.79042
222 6BVJ GNP 4.79042
223 6D56 GNP 4.79042
224 6D59 GNP 4.79042
225 6D5J GNP 4.79042
226 6BVK GNP 4.79042
227 6BVL GNP 4.79042
228 6BVM GNP 4.79042
229 6D5L GNP 4.79042
230 6BVI GNP 4.79042
231 6D55 GNP 4.79042
232 6D5H GNP 4.79042
233 1CLU DBG 4.81928
234 2WKQ GTP 4.81928
235 5WLB GNP 4.81928
236 3BER AMP 4.81928
237 1WQ1 GDP 4.81928
238 1NVV GNP 4.81928
239 2W83 GTP 4.84848
240 5DI3 GNP 4.86486
241 5SZH GNP 4.92611
242 1D5C GDP 4.93827
243 3ZQ6 ADP ALF 4.93827
244 1ION ADP 4.93827
245 2WOE AR6 5.01672
246 1F6B GDP 5.05051
247 3E5H GNP 5.05618
248 1XMV ADP 5.05618
249 5CK5 GDP 5.06329
250 2FH5 GTP 5.14019
251 1ZC3 GNP 5.14286
252 3IO3 ADP 5.17241
253 1UZD CAP 5.22388
254 5KSP GDP 5.26316
255 4M9Q GNP 5.28634
256 1Z0J GTP 5.29412
257 5G3Y ADP 5.30973
258 1YVD GNP 5.32544
259 2RGX AP5 5.33981
260 3CNL GNP 5.34351
261 1Z2A GDP 5.35714
262 3RWO GDP 5.40541
263 2W58 ADP 5.44554
264 4B47 GDP 5.50964
265 5BXQ GDP 5.51181
266 1MR3 G3D 5.52486
267 4PVV HO4 5.55556
268 1X1R GDP 5.61798
269 1NHX FTB 5.66893
270 2GMV UN8 5.66893
271 1NHX PEP 5.66893
272 2GMV PEP 5.66893
273 3NKV GNP 5.71429
274 1UZH CAP 5.7377
275 1Z06 GNP 5.82011
276 5WDR GNP 5.84795
277 2HQM FAD 5.89569
278 3RAB GNP 5.91716
279 4JLV ADP 5.94796
280 2C5L GTP 5.98291
281 5TB5 GDP 6
282 1UAD GNP 6.06061
283 5TAR GDP 6.08108
284 3U6B GDP 6.09137
285 5JBQ GDP 6.09137
286 4G5G GDP 6.09137
287 3U6K GDP 6.09137
288 1D8T GDP 6.10687
289 2BVN GNP 6.10687
290 4PJ3 ANP 6.12245
291 1NF3 GNP 6.15385
292 3KUD GDP 6.17284
293 6CI9 NAP 6.17761
294 2OFW ADX 6.25
295 2NGR GDP 6.28272
296 1GRN GDP 6.28272
297 1A4R GNH 6.28272
298 4ITR GDP 6.28272
299 1A4R GDP 6.28272
300 2A5F GTP 6.28571
301 2BCG GDP 6.31068
302 2WMO GTP 6.31579
303 1M2O GNP 6.31579
304 2X77 GDP 6.34921
305 2WJG GDP 6.38298
306 1G7C 5GP 6.38298
307 1NRJ GTP 6.42202
308 5EE5 GTP 6.43275
309 2W2X GSP 6.48649
310 1Y63 ADP 6.52174
311 3Q9L ATP 6.53846
312 6B3V 7DQ 6.57895
313 6B3V ANP 6.57895
314 4YC7 GNP 6.62983
315 3SFV GDP 6.62983
316 1DS6 GDP 6.66667
317 4WOP CTP 6.66667
318 3BC1 GNP 6.66667
319 5KDO GDP 6.75676
320 4HI0 GDP 6.79245
321 1GOT GDP 6.84932
322 2VVG ADP 6.85714
323 3DEF GDP 6.87023
324 1LFD GNP 6.89655
325 1ZD9 GDP 6.91489
326 4XVU ATP 6.95652
327 2GCO GNP 6.96517
328 2GCN GDP 6.96517
329 2GJ8 ALF GDP 6.97674
330 3BFV ADP 7.01107
331 4LPS GDP 7.02479
332 4M52 FAD 7.02948
333 3AQ4 GDP 7.06522
334 2HCJ GDP 7.16418
335 2QTV GNP 7.18563
336 2WJH GDP 7.22892
337 2WJH FLC 7.22892
338 4DID GDP 7.23684
339 4NCN GTP 7.25624
340 2PEZ GGZ 7.26257
341 2PEZ DAT 7.26257
342 3DDC GNP 7.36196
343 4R98 GNH 7.38007
344 6EBQ FMN 7.5
345 4YLG GDP 7.51445
346 4D0N GDP 7.56757
347 1TU3 GNP 7.59494
348 2ZEJ GDP 7.6087
349 1KMQ GNP 7.6087
350 5OEC GDP 7.61421
351 1Z83 AP5 7.65306
352 1FQK GDP 7.69231
353 1CXZ GSP 7.69231
354 1TAD ALF 7.71605
355 1TAD GDP 7.71605
356 1QF9 C5P 7.73196
357 1QF9 ALF 7.73196
358 1QF9 ADP 7.73196
359 3A1S GDP 7.75194
360 4XOI GTP 7.77778
361 4V03 ADP 7.7821
362 4XSH GSP 7.82123
363 1J2J GTP 7.83133
364 2J59 GTP 7.83133
365 1O3Y GTP 7.83133
366 2WIC GNP 7.86517
367 1TX4 ALF GDP 7.9096
368 1RE0 GDP 7.92683
369 1S9D GDP 7.92683
370 5FG3 GDP 7.93651
371 4KBF AMP 7.94521
372 5XC5 GTP 7.95455
373 3COW 52H 7.97342
374 2CK3 ANP 8
375 2F9L GDP 8.0402
376 1KY3 GDP 8.24176
377 3T5G GDP 8.28729
378 3T34 GDP 8.33333
379 2A5J GDP 8.37696
380 6BSX E7S 8.42697
381 4U5X GNP 8.42697
382 6BSX GDP 8.42697
383 3Q72 GNP 8.43373
384 1DAK ADP 8.48214
385 1DAK DPU 8.48214
386 1R4A GNP 8.48485
387 2J0V GDP 8.49057
388 4KAX GTP 8.69565
389 1Z0K GTP 8.69565
390 1EK0 GNP 8.82353
391 1FZQ GDP 8.83978
392 3HQP OXL 8.84354
393 4PC3 GDP 8.86525
394 5JCZ GDP 8.93855
395 5XKT GNP 9
396 4LX0 BEF GDP 9.03955
397 1MH1 GNP 9.07029
398 1E96 GTP 9.07029
399 3T1O GDP 9.09091
400 2V7Q ATP 9.09091
401 3B7G ANP 9.13043
402 6A20 ADP 9.15332
403 4C4P GNP 9.24856
404 1OW3 GDP 9.32642
405 3ZIA ADP 9.52381
406 3ZIA ATP 9.52381
407 2D7C GTP 9.58084
408 5YT0 GDP 9.61539
409 5X20 NAD 9.61539
410 4J56 FAD 9.64912
411 5IRC GDP 9.67742
412 3LXR GDP 9.72973
413 5HPY GDP 9.72973
414 3PQC GDP 9.74359
415 2HT6 GDP 9.77011
416 1OIV GDP 9.94764
417 1OIX GDP 9.94764
418 2EW1 GNP 9.95025
419 4ZI2 GNP 10
420 2KIN ADP 10
421 4GOJ GNP 10.0529
422 1RBL CAP 10.0917
423 4KVG GTP 10.119
424 4HDO GNP 10.1796
425 1GUA GNP 10.1796
426 4HDQ GNP 10.1796
427 3X1Z GNP 10.1796
428 5O74 GDP 10.2041
429 4LYA ATP 10.2041
430 3REF GDP 10.3093
431 4AG5 ADP 10.4592
432 3WYF GTP 10.5023
433 1YZG GDP 10.6145
434 4V0K GDP 10.6509
435 5O2T GSP 10.6952
436 5L3V GDP 10.7023
437 2V6A CAP 10.7143
438 2V67 CAP 10.7143
439 2V63 CAP 10.7143
440 2V68 CAP 10.7143
441 2VDH CAP 10.7143
442 5L3S GNP 10.7383
443 2AWN ADP 10.7612
444 2A9K GDP 10.7623
445 3VX3 ADP 10.8871
446 2HV8 GTP 10.9375
447 4DDY DN6 11.0266
448 5HCN GCP 11.1111
449 6CRK GDP 11.2676
450 1GP2 GDP 11.2676
451 1IR2 CAP 11.4286
452 3M1I GTP 11.5183
453 1UPT GTP 11.6667
454 1QX4 FAD 11.6788
455 3T12 GDP ALF 11.7647
456 3DOE GTP 11.9792
457 2G77 GDP 12.1212
458 1KSH GDP 12.3656
459 5Z2M GTP 12.5
460 3FB4 AP5 12.5
461 1CS4 GSP 12.8889
462 2XTN GTP 13.2479
463 6C90 ADP 13.4615
464 4XTR ADP 13.5135
465 1GWN GTP 13.6585
466 3TKL GTP 14.2322
467 6BC0 GSP 15.1351
468 6BCB GSP 15.1351
469 6BCA GSP 15.1351
470 1M7B GTP 15.2174
471 4P3Y GDP 15.3846
472 1WA5 GTP 15.4195
473 2PL3 ADP 16.1017
474 5DK4 ATP 16.1094
475 1HE1 GDP 16.2963
476 4CVN ADP 16.7883
477 2UZI GTP 17.3077
478 4IOK ADP 17.6871
479 4IOK XPO 17.6871
480 3QFA FAD 18.1034
481 5H7J GCP 18.1406
482 1KAO GDP 19.7605
483 4BAS GNP 20.1005
484 5H7K GDP 20.1511
485 1I4D GDP 21.3542
486 4LHW GNP 21.8391
487 3SBD GNP 21.9251
488 1XX6 ADP 21.9895
489 1VG0 GDP 22.2222
490 1VG8 GNP 22.2222
491 1G4U GDP 22.2826
492 3WYG GTP 22.3684
493 2ODE ALF GDP 22.695
494 1VG1 GDP 22.7027
495 1VG9 GDP 22.7027
496 2FJU GSP 23.0337
497 3MJH GTP 23.5294
498 1RYH GNP 23.6453
499 3QBT GNP 25.2874
500 3TNF GNP 25.2874
501 1FQJ GDP 26.1905
502 5UPK GNP 41.6667
503 5DI9 GNP 42.8571
Pocket No.: 2; Query (leader) PDB : 5I34; Ligand: GDP; Similar sites found with APoc: 172
This union binding pocket(no: 2) in the query (biounit: 5i34.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 4OHY ANP 1.16009
2 4MO2 FDA 1.3587
3 2ZPA ADP 1.36054
4 2FAH GDP 1.36054
5 4ZVV GN0 1.50602
6 4ZVV NAD 1.50602
7 3CTY FAD 1.5674
8 1OS1 ATP 1.5873
9 1OS1 PYR 1.5873
10 1TL2 NDG 1.69492
11 6GAR FAD 1.7192
12 5FJJ MAN 1.81406
13 1XKV ATP 1.81406
14 1F5N GNP 2.04082
15 5H68 AGS 2.05882
16 4ZNL BEF ADP 2.18978
17 1ZRH A3P 2.18978
18 1REO FAD 2.26757
19 1I8T FAD 2.45232
20 2XZ9 PYR 2.46914
21 1BZL GCG 2.49433
22 4PPF FLC 2.57143
23 3H86 AP5 2.60417
24 1R6D DAU 2.67062
25 5HR5 ADP 2.72109
26 2B8W ALF 5GP 2.7439
27 1NJF ADP 2.8
28 3A06 FOM 2.92553
29 3A06 NDP 2.92553
30 2GKS ADP 2.94785
31 2V58 LZJ 2.94785
32 3WBF NAP 2.95082
33 2V2V V12 2.95203
34 3A4M ADP 3.07692
35 1N7G NDP 3.14961
36 2ZJ5 ADP 3.1746
37 4YJ1 ADP 3.1746
38 4X8O AP5 3.27103
39 5ZXD ATP 3.2967
40 2IXE ATP 3.32103
41 4AZ3 S35 3.33333
42 4ONQ SFG 3.36134
43 5NM7 GLY 3.38346
44 1YY5 FAD 3.40136
45 4BQS K2Q 3.40909
46 4BQS ADP 3.40909
47 5MEX SZZ 3.41615
48 5MEX PAP 3.41615
49 3MGB PAP 3.44828
50 1HYH NAD 3.55987
51 1SQ5 ADP 3.57143
52 3NHB ADP 3.59477
53 2D2F ADP 3.6
54 2IS6 ADP 3.62812
55 1HK8 DGT 3.62812
56 4MKF AP5 3.68664
57 1ZIN AP5 3.68664
58 4WZ6 ATP 3.7931
59 2YOH WMJ 3.80952
60 1IZC PYR 3.83481
61 6FP4 FAD 3.84615
62 6FP4 E1T 3.84615
63 4IDN GNP 3.85488
64 4NE2 ADP 3.85488
65 4NE2 SH2 3.85488
66 2BIF SIN 3.85488
67 2BIF ANP 3.85488
68 5BYK A3P 3.861
69 5BYK OAQ 3.861
70 2AHR NAP 3.861
71 4FRZ ADP 3.88601
72 3IIJ ADP 3.88889
73 5OVK NDP 3.90625
74 1K6M AGS 3.93519
75 5VGR GDP 3.94432
76 1X8J A3P 3.9886
77 1Q20 A3P 4.01338
78 1Q20 PLO 4.01338
79 5O98 NAP 4.10095
80 5DM1 5D7 4.11985
81 2VWT PYR 4.11985
82 4NU0 AP5 4.14747
83 1NN5 ANP 4.18605
84 1NN5 2DT 4.18605
85 1VKJ A3P 4.21053
86 4KFU ACP 4.24528
87 4R2I ANP 4.28571
88 3S5W FAD 4.30839
89 3IA4 NDP 4.32099
90 3BFX A3P 4.39189
91 5L4S 6KX 4.40252
92 5L4S NAP 4.40252
93 4GOX A3P 4.47284
94 1PWB GLC 4.51977
95 1PVN MZP 4.52128
96 5AK0 8V1 4.53515
97 2DPY ADP 4.56621
98 2CBZ ATP 4.64135
99 5YSS NAD 4.6875
100 1M7G ADP 4.73934
101 2C7G ODP 4.7619
102 2PZE ATP 4.80349
103 4U00 ADP 4.91803
104 1B0U ATP 4.96183
105 5WRI A3P 5
106 2Z5F A3P 5.03356
107 2GWH A3P 5.03356
108 1V8K ANP 5.12195
109 1OC2 NAD 5.17241
110 1OC2 TDX 5.17241
111 4YZC STU 5.18518
112 4XQC 13D 5.21542
113 4XQC NAD 5.21542
114 1VL8 NAP 5.24345
115 5WRJ A3P 5.28053
116 3V0H I3P 5.30973
117 3QVV A3P 5.42373
118 3QVV 3QV 5.42373
119 1V97 MTE 5.44218
120 4MKG AP5 5.52995
121 1KEW TYD 5.54017
122 1KEW NAD 5.54017
123 3SJ7 NDP 5.55556
124 2JAP NDP 5.66802
125 3RNM FAD 5.66893
126 1IN4 ADP 5.68862
127 1UXG NAD 5.82524
128 1UXG FUM 5.82524
129 2CDN ADP 5.97015
130 2QG6 NMN 6.03015
131 1AQU A3P 6.06061
132 1J99 AND 6.14334
133 3EZ2 ADP 6.28141
134 5TIV A3P 6.32411
135 2YG3 FAD 6.34921
136 4DYG NAG NAG NAG NAG 6.55738
137 4R43 GDP 6.57596
138 1D2N ANP 6.61765
139 5FHD ADP ALF 6.69746
140 1G3M PCQ 6.80272
141 1G3M A3P 6.80272
142 5E5U MLI 6.81818
143 1FIQ MTE 6.85714
144 1F9V ADP 7.20461
145 5TCI MLI 7.31707
146 1G6H ADP 7.393
147 5MVR ADP 7.40741
148 4GBM A3P 7.43034
149 1GTE FAD 7.48299
150 1VHT BA3 7.79817
151 2ZPT A3P 8.13559
152 1UKZ ADP 8.37438
153 5TSH ADP 8.61678
154 5TSH ANP 8.61678
155 1AKY AP5 8.63636
156 1GXU 2HP 8.79121
157 2NCD ADP 9.04762
158 2V7Q ADP 9.09091
159 3NRZ HPA 9.14634
160 1S3G AP5 9.21659
161 6GAS FAD 9.36556
162 5J1S ATP 9.62343
163 5G41 AP5 9.86547
164 1JJ7 ADP 11.1538
165 2BEK ATP 11.284
166 3FV1 DYH 11.7188
167 2ZTS ADP 11.9522
168 4XTR ATP 13.5135
169 1HTW ADP 15.8228
170 5M7P ADP 16.5533
171 3TMK T5A 18.0556
172 4QOS ADP 23.7736
Pocket No.: 3; Query (leader) PDB : 5I34; Ligand: IMP; Similar sites found with APoc: 28
This union binding pocket(no: 3) in the query (biounit: 5i34.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 2VAR KDG 1.59744
2 2VAR KDF 1.59744
3 2D1S SLU 2.04082
4 1RZM E4P 2.07101
5 3ZUY TCH 2.16718
6 1TV5 ORO 2.26757
7 1X7D NAD 3.42857
8 5K8P 6R8 3.76471
9 6AMI TRP 3.78788
10 4YAG NAI 3.80623
11 4GJ3 0XP 3.97351
12 6GNC FAD 4.08163
13 5AHN IMP 4.08163
14 5UR1 YY9 4.82315
15 1VRP IOM 5.24934
16 3QMN A3P 5.42636
17 5HJQ I3P 5.58511
18 2OUA AES 5.85106
19 4ETZ C2E 6.06061
20 6FYZ EBE 6.07595
21 6CI9 NAP 6.17761
22 3UYW TAU 7.47664
23 1U6R IOM 7.89474
24 1XXR MAN 9.31677
25 5URY PAM 9.58904
26 3WH2 FLC 17.0068
27 1FTH A3P 18.0328
28 4KQP GLN 18.5345
Pocket No.: 4; Query (leader) PDB : 5I34; Ligand: IMP; Similar sites found with APoc: 32
This union binding pocket(no: 4) in the query (biounit: 5i34.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 5LKC FUC GLA A2G 1.94805
2 4GK9 MAN BMA MAN MAN MAN 2.15054
3 1ON3 DXX 2.26757
4 3UCL FAD 2.49433
5 3UCL CYH 2.49433
6 3UCL NAP 2.49433
7 1OFZ FUL 2.5641
8 4G6I RS3 2.85714
9 1UWK URO 3.40136
10 1UWK NAD 3.40136
11 4ZV1 ARG 3.43348
12 4RL4 PPV 3.77358
13 3LN9 FLC 4.31655
14 2HIM ASN 4.46927
15 6H1U ASP 4.52962
16 5X2N ALA 4.53515
17 1HFE CYS 5.69106
18 3AD8 FAD 6.57596
19 3AD8 PYC 6.57596
20 5NNS AKR 6.66667
21 1U4L H1S 7.35294
22 1IXE CIT 7.69231
23 1KHT AMP 7.8125
24 1OFS SUC 8.33333
25 5HV7 RBL 8.48624
26 5ZA2 NXL 11.5819
27 3O5N BR0 13.3929
28 3GCM 5GP 19.5122
29 2GAG FOA 20
30 2GAG FAD 20
31 4XW2 SIM 20.202
32 5ML0 P2L 30.9091
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