Receptor
PDB id Resolution Class Description Source Keywords
4ITR 2.3 Å EC: 2.7.7.1 CRYSTAL STRUCTURE OF IBPAFIC2-H3717A IN COMPLEX WITH ADENYLY CDC42 HAEMOPHILUS SOMNUS FIC DOMAIN ADENOSINE MONOPHOSPHATE-PROTEIN TRANSFERASE TRA
Ref.: STRUCTURAL BASIS OF FIC-MEDIATED ADENYLYLATION. NAT.STRUCT.MOL.BIOL. V. 17 1004 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 C:204;
D:204;
A:3801;
B:3801;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
GDP D:202;
C:202;
Valid;
Valid;
none;
none;
submit data
443.201 C10 H15 N5 O11 P2 c1nc2...
MG C:203;
D:203;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
AMP C:201;
D:201;
Invalid;
Invalid;
none;
none;
submit data
347.221 C10 H14 N5 O7 P c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ITR 2.3 Å EC: 2.7.7.1 CRYSTAL STRUCTURE OF IBPAFIC2-H3717A IN COMPLEX WITH ADENYLY CDC42 HAEMOPHILUS SOMNUS FIC DOMAIN ADENOSINE MONOPHOSPHATE-PROTEIN TRANSFERASE TRA
Ref.: STRUCTURAL BASIS OF FIC-MEDIATED ADENYLYLATION. NAT.STRUCT.MOL.BIOL. V. 17 1004 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4ITR - 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 4ITR - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4ITR - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GDP; Similar ligands found: 153
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 G 0.828947 0.986486
7 5GP 0.828947 0.986486
8 G1R 0.82716 0.986667
9 GCP 0.82716 0.973684
10 GSP 0.817073 0.948718
11 GAV 0.797619 0.961039
12 GMV 0.792683 0.973684
13 G2P 0.77381 0.961039
14 G2R 0.770115 0.961039
15 GDP MG 0.759036 0.923077
16 GP2 0.756098 0.961039
17 GDP BEF 0.75 0.9
18 GDD 0.747253 0.961039
19 GKE 0.747253 0.961039
20 GDC 0.747253 0.961039
21 GPG 0.741573 0.961039
22 G3D 0.732558 0.986486
23 ALF 5GP 0.729412 0.888889
24 Y9Z 0.728261 0.902439
25 GTP MG 0.724138 0.923077
26 BEF GDP 0.724138 0.888889
27 G5P 0.723404 0.973684
28 GFB 0.72043 0.961039
29 GTG 0.72043 0.936709
30 GDR 0.72043 0.961039
31 G4P 0.715909 0.986486
32 GCP G 0.715909 0.935065
33 6CK 0.712766 0.936709
34 G3A 0.712766 0.973684
35 GDP ALF 0.7 0.888889
36 GDP AF3 0.7 0.888889
37 YGP 0.698925 0.901235
38 JB2 0.697917 0.961039
39 GKD 0.697917 0.961039
40 GDX 0.690722 0.973684
41 GPD 0.690722 0.925
42 GMP 0.684211 0.88
43 0O2 0.666667 0.986486
44 G G 0.659574 0.935065
45 JB3 0.656863 0.948718
46 NGD 0.650485 0.961039
47 GDP 7MG 0.636364 0.911392
48 DGI 0.636364 0.923077
49 U2G 0.634615 0.936709
50 GPX 0.634409 0.946667
51 IDP 0.632184 0.972973
52 2MD 0.632075 0.891566
53 CAG 0.62963 0.880952
54 CG2 0.622642 0.936709
55 FEG 0.619048 0.879518
56 MGD 0.614679 0.891566
57 ZGP 0.613208 0.869048
58 GH3 0.612903 0.973333
59 3GP 0.611765 0.946667
60 MD1 0.607143 0.891566
61 PGD 0.59292 0.925
62 DGT 0.591398 0.923077
63 BGO 0.588785 0.924051
64 TPG 0.582609 0.840909
65 DBG 0.582609 0.948718
66 2GP 0.574713 0.96
67 FE9 0.570175 0.776596
68 I2C FE2 CMO CMO 0.566372 0.808989
69 G A A A 0.553571 0.923077
70 MGP 0.553191 0.961039
71 U A G G 0.548673 0.935065
72 G4M 0.548387 0.880952
73 6G0 0.547368 0.961039
74 G1R G1R 0.542373 0.924051
75 P2G 0.527473 0.883117
76 PGD O 0.525 0.850575
77 ADP 0.522222 0.92
78 GGM 0.517544 0.901235
79 DG 0.516484 0.910256
80 DGP 0.516484 0.910256
81 P1G 0.516129 0.871795
82 G G U 0.509259 0.935065
83 G1G 0.508475 0.925
84 IMP 0.505495 0.959459
85 G C 0.504348 0.9
86 GPC 0.491525 0.879518
87 G7M 0.483871 0.948052
88 6AD 0.479592 0.841463
89 ATP 0.473684 0.92
90 G2Q 0.471154 0.961039
91 U G A 0.469697 0.888889
92 5FA 0.46875 0.92
93 AQP 0.46875 0.92
94 GTA 0.468468 0.936709
95 7DD 0.468085 0.906667
96 G G G RPC 0.466102 0.875
97 SGP 0.463158 0.82716
98 01G 0.462963 0.902439
99 B4P 0.457447 0.894737
100 AP5 0.457447 0.894737
101 A2D 0.456522 0.894737
102 G G G C 0.455285 0.9125
103 ACQ 0.454545 0.896104
104 5GP 5GP 0.454545 0.883117
105 ANP 0.454545 0.896104
106 A G C C 0.451613 0.911392
107 APC G U 0.45082 0.886076
108 G U34 0.449153 0.888889
109 DG DG 0.448598 0.865854
110 ITT 0.447917 0.868421
111 BA3 0.446809 0.894737
112 35G 0.444444 0.933333
113 C2E 0.444444 0.921053
114 PCG 0.444444 0.933333
115 MGO 0.441176 0.864198
116 AN2 0.4375 0.907895
117 G C C C 0.4375 0.924051
118 M33 0.43299 0.883117
119 UCG 0.429688 0.911392
120 A G U 0.42963 0.888889
121 ACP 0.428571 0.896104
122 MGQ 0.424528 0.935897
123 7DT 0.424242 0.906667
124 APR 0.424242 0.894737
125 AR6 0.424242 0.894737
126 93A 0.42268 0.833333
127 A4P 0.420168 0.869048
128 SAP 0.42 0.873418
129 AD9 0.42 0.896104
130 AGS 0.42 0.873418
131 G8D 0.42 0.875
132 CA0 0.418367 0.896104
133 ATF 0.417476 0.884615
134 AGO 0.414634 0.888889
135 NIA 0.413043 0.82716
136 MGV 0.412844 0.890244
137 TAT 0.411765 0.884615
138 A1R 0.411215 0.839506
139 ADQ 0.411215 0.871795
140 RGT 0.410714 0.909091
141 CGP 0.409836 0.86747
142 AMP 0.408602 0.893333
143 A 0.408602 0.893333
144 UP5 0.40678 0.873418
145 C2R 0.406593 0.906667
146 AMZ 0.406593 0.918919
147 JBT 0.405882 0.778947
148 A22 0.40566 0.907895
149 25L 0.405405 0.907895
150 ADX 0.40404 0.809524
151 8OD 0.401961 0.946667
152 4TC 0.4 0.851852
153 50T 0.4 0.883117
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4ITR; Ligand: GDP; Similar sites found: 477
This union binding pocket(no: 1) in the query (biounit: 4itr.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3MJH GTP 0.000000007369 0.58483 2.38095
2 2XT3 ADP 0.000001723 0.62683 2.6178
3 4MKF AP5 0.004969 0.43295 2.76498
4 4D81 ADP 0.0003873 0.44118 2.82686
5 3LRE ADP 0.000002176 0.62768 2.8481
6 1JI0 ATP 0.00007298 0.52947 2.91667
7 2WIC GNP 0.0000004109 0.61403 2.99625
8 3A1S GDP 0.0000001251 0.6383 3.14136
9 3P4X ADP 0.00005701 0.44192 3.1477
10 5HR5 ADP 0.0002876 0.4525 3.16456
11 2C04 GCP 0.0004321 0.45671 3.367
12 3W5J GDP 0.00001746 0.56925 3.43137
13 4AG5 ADP 0.000009997 0.58138 3.48101
14 1V8K ANP 0.00006492 0.51736 3.48101
15 2D2F ADP 0.0004075 0.49366 3.6
16 1JJ7 ADP 0.00000589 0.60725 3.66492
17 4R98 GNH 0.0000002886 0.54039 3.66492
18 3B5J 12D 0.0000886 0.52519 3.66492
19 1OXV ANP 0.0001178 0.51166 3.66492
20 5XDR ADP 0.0001738 0.49059 3.66492
21 3FKQ ATP 0.00008887 0.48683 3.66492
22 1NHX FTB 0.005995 0.43207 3.66492
23 1NHX PEP 0.006058 0.4309 3.66492
24 1OYY AGS 0.00475 0.4275 3.66492
25 2IXE ATP 0.00132 0.4166 3.66492
26 2GWH A3P 0.003125 0.419 3.69128
27 1SVK ALF GDP 0.000002547 0.56916 3.79747
28 5MZN ADP 0.001329 0.46548 3.79747
29 1BG2 ADP 0.000001231 0.44441 3.79747
30 1IN4 ADP 0.0007532 0.44176 3.79747
31 5WRJ A3P 0.008944 0.40084 3.9604
32 2XAU ADP 0.0002041 0.48157 4.11392
33 1SKQ GDP 0.00000004811 0.67916 4.18848
34 3CNL GNP 0.0000001422 0.65589 4.18848
35 5GOE GDP 0.0000004593 0.6031 4.18848
36 3NHB ADP 0.00002866 0.55696 4.18848
37 2IYL GDP 0.00001475 0.54837 4.18848
38 3T1O GDP 0.000001317 0.53619 4.18848
39 2BIF SIN 0.001228 0.46347 4.18848
40 2BIF ANP 0.0007139 0.46347 4.18848
41 2QEN ADP 0.0002722 0.45391 4.18848
42 1K6M AGS 0.000468 0.42628 4.18848
43 1G8S MET 0.00933 0.42549 4.18848
44 2ZPT A3P 0.02145 0.41294 4.18848
45 4Q1A 2XZ 0.01193 0.45962 4.28571
46 4Q1A UDP 0.01193 0.45962 4.28571
47 1W5T ADP 0.006037 0.40643 4.43038
48 1W5T ANP 0.004409 0.40228 4.43038
49 3E70 GDP 0.00001533 0.54015 4.71204
50 5L3W GDP 0.00002569 0.48204 4.71204
51 3DZD ADP 0.0004097 0.46257 4.71204
52 5LTJ ADP 0.0002026 0.43656 4.71204
53 3Q9L ATP 0.001878 0.42871 4.71204
54 4PX9 ADP 0.0002243 0.41901 4.71204
55 3BFX A3P 0.005012 0.4064 4.71204
56 4GOX A3P 0.002207 0.40277 4.71204
57 1FP6 ADP 0.0001165 0.48706 4.84429
58 1SQ5 ADP 0.0001231 0.49762 4.87013
59 2GDJ ANP 0.0009304 0.46165 4.92424
60 5MVR ADP 0.0001871 0.43282 4.93827
61 3LN9 FLC 0.007174 0.43112 5.03597
62 2XTN GTP 0.00001185 0.49031 5.12821
63 4NON GDP 0.00000005054 0.53033 5.2356
64 4LYA ATP 0.00003114 0.52569 5.2356
65 2OBM ADP 0.0002725 0.50949 5.2356
66 1G6O ADP 0.00009184 0.49749 5.2356
67 1G3Q ADP 0.0003754 0.47487 5.2356
68 1F9V ADP 0.000003836 0.45613 5.2356
69 5IRN ADP 0.0001624 0.45585 5.2356
70 1IHU AF3 0.0001753 0.45129 5.2356
71 2OFW ADX 0.002398 0.44554 5.2356
72 1IHU ADP 0.0001958 0.44152 5.2356
73 5IFS ADP 0.0003144 0.43813 5.2356
74 1ION ADP 0.0003752 0.46944 5.34979
75 5L3V GDP 0.00002382 0.52439 5.35117
76 2AWN ADP 0.0000004109 0.68375 5.37975
77 5CK5 GDP 0.00000002967 0.5613 5.37975
78 1YTM ATP 0.0004152 0.44521 5.37975
79 5H56 ADP 0.00103 0.45193 5.64103
80 5H56 TYD 0.00103 0.45193 5.64103
81 1M7G AV2 0.00003495 0.44827 5.6872
82 1M7G ADX 0.001339 0.44827 5.6872
83 1M7G ADP 0.001305 0.44581 5.6872
84 1KO8 6PG 0.001026 0.43599 5.71429
85 3MD0 GDP 0.00000002721 0.69139 5.75916
86 4RD0 GDP 0.0000001986 0.60138 5.75916
87 4WZ6 ATP 0.0001044 0.52701 5.75916
88 4HSE ADP 0.00006001 0.5123 5.75916
89 5LB3 ADP 0.0001465 0.50699 5.75916
90 4R43 GDP 0.0001631 0.49808 5.75916
91 3BOS CDP 0.000232 0.49071 5.75916
92 2VF7 ADP 0.001023 0.45439 5.75916
93 4FRZ ADP 0.000007006 0.44776 5.75916
94 1R0X ATP 0.0007359 0.40741 5.75916
95 5J1J ANP 0.000571 0.45311 5.96491
96 2ZFI ADP 0.00007311 0.51488 6.01266
97 3EZ2 ADP 0.0001309 0.5094 6.01266
98 5VGR GDP 0.0007635 0.44586 6.01266
99 2OZE AGS 0.0004165 0.4528 6.04027
100 1XP8 AGS 0.0003957 0.48566 6.28272
101 1XMV ADP 0.000261 0.48229 6.28272
102 3COB ADP 0.0000008098 0.46754 6.28272
103 4RZ3 ADP 0.0003913 0.44766 6.28272
104 4V03 ADP 0.0001779 0.44758 6.28272
105 5M7P ADP 0.00101 0.4363 6.28272
106 1LVG ADP 0.00004798 0.43371 6.28272
107 5I34 GDP 0.000659 0.42476 6.28272
108 2ZPA ADP 0.0002802 0.46019 6.32911
109 4YMU ATP 0.00009283 0.42912 6.36364
110 1VHT BA3 0.001124 0.44756 6.42202
111 3A4M ADP 0.00001813 0.56017 6.53846
112 2PZE ATP 0.00002211 0.41947 6.55022
113 1YQT ADP 0.00004768 0.54573 6.64557
114 2WOJ ADP ALF 0.0002144 0.42176 6.64557
115 3TK1 GDP 0.00000002819 0.7027 6.80628
116 1GOJ ADP 0.0000009238 0.64648 6.80628
117 3T34 GDP 0.00005943 0.46516 6.80628
118 5K5Z ANP 0.000688 0.45145 6.80628
119 5FTB ANP 0.001074 0.44846 6.80628
120 5FHD ADP ALF 0.0006863 0.43512 6.80628
121 2BEK ATP 0.0007812 0.4268 6.80628
122 4U00 ADP 0.000005516 0.42118 6.80628
123 3IUY AMP 0.0007513 0.41802 6.80628
124 3R7F CP 0.02339 0.40492 6.80628
125 2X7I CIT 0.008303 0.41578 6.81818
126 1HTW ADP 0.00006201 0.45763 6.96203
127 3FWY ADP 0.0001053 0.48361 7.00637
128 3WY9 GDP 0.000000004387 0.73056 7.27848
129 3WYA GDP 0.000000009766 0.70151 7.27848
130 4LC1 GDP 0.0000001193 0.64916 7.27848
131 2XTZ GSP 0.000001442 0.50746 7.27848
132 1G6H ADP 0.000006826 0.6035 7.32984
133 2C78 GNP 0.0000005618 0.55115 7.32984
134 4H1V GNP 0.000006689 0.53611 7.32984
135 1TAD GDP 0.000004305 0.46966 7.32984
136 1TAD ALF 0.000004305 0.46966 7.32984
137 4IEE AGS 0.0009537 0.46677 7.32984
138 3BER AMP 0.001885 0.44686 7.32984
139 4A4Z ANP 0.00717 0.41886 7.32984
140 4PJ3 ANP 0.00559 0.41162 7.32984
141 3ZQ6 ADP ALF 0.0006247 0.40581 7.32984
142 4BQS ADP 0.00007899 0.51326 7.38636
143 4BQS K2Q 0.001827 0.44743 7.38636
144 1G7C 5GP 0.000001391 0.59776 7.44681
145 3FVQ ATP 0.001446 0.42199 7.59494
146 5L3S GNP 0.0001009 0.48807 7.77027
147 1KK1 GNP 0.0000001467 0.65523 7.8534
148 1D2E GDP 0.00000007229 0.63091 7.8534
149 4PPF FLC 0.000005052 0.60874 7.8534
150 2WHX ADP 0.00004513 0.54657 7.91139
151 3DC4 ADP 0.00003581 0.54516 7.91139
152 2OM2 GDP 0.000003871 0.5297 7.91139
153 1Y3A GDP 0.000003513 0.51149 7.91139
154 2JLR ANP 0.0006552 0.45342 7.91139
155 1BH2 GSP 0.000006708 0.46067 7.93651
156 2ZTS ADP 0.002623 0.41849 7.96813
157 1WF3 GNP 0.0000003762 0.5997 7.97342
158 3EWA ANP 0.0002018 0.42667 8.22785
159 4OHY ANP 0.001284 0.40327 8.22785
160 2OG2 MLI 0.00002027 0.57951 8.37696
161 3B9Q MLI 0.00006374 0.55096 8.37696
162 3EC1 GDP 0.0000004608 0.54271 8.37696
163 2DPY ADP 0.00007783 0.52805 8.37696
164 4HI0 GDP 0.000006831 0.51955 8.37696
165 2ZR9 DTP 0.0001154 0.50532 8.37696
166 2QZ4 ADP 0.0001229 0.49168 8.37696
167 4QOS ADP 0.0005163 0.46307 8.37696
168 5L3R GCP 0.000121 0.44446 8.37696
169 3UIE ANP 0.00006785 0.50352 8.5
170 2ZJ5 ADP 0.00462 0.4411 8.5443
171 4J0Q GDP 0.00000002107 0.69688 8.86076
172 4P4T GDP 0.000004762 0.53614 8.86076
173 1FQK GDP 0.000008117 0.49889 8.86076
174 4IHQ ADP 0.00008866 0.43294 8.86076
175 1FQK ALF 0.01903 0.40971 8.86076
176 1DAR GDP 0.00000006949 0.66046 8.90052
177 3B7G ANP 0.000379 0.47468 8.90052
178 4ZNL BEF ADP 0.0003908 0.42531 9.12409
179 1R6B ADP 0.0002788 0.48094 9.17722
180 2CE7 ADP 0.0001765 0.44682 9.17722
181 4LPS GDP 0.0000002878 0.6213 9.42408
182 2IS6 ADP 0.0001653 0.4978 9.42408
183 2VB6 ADP BEF 0.0007618 0.44764 9.42408
184 4PFO ADP 0.001175 0.44298 9.42408
185 5GJC ATP 0.0001722 0.43075 9.42408
186 3RLF ANP 0.001201 0.41183 9.42408
187 2I4I AMP 0.006067 0.40633 9.42408
188 1XX6 ADP 0.0007444 0.40477 9.42408
189 2PEZ DAT 0.001543 0.44687 9.49721
190 2PEZ GGZ 0.001543 0.44687 9.49721
191 2WJG GDP 0.00000001912 0.68746 9.57447
192 4E03 ADP 0.0001161 0.49883 9.70874
193 3DKP ADP 0.00117 0.45686 9.79592
194 1GP2 GDP 0.000004505 0.50843 9.85915
195 2ODE ALF GDP 0.000003478 0.56108 9.92908
196 1U0J ADP 0.0002652 0.49425 9.94764
197 1G41 ADP 0.0002324 0.47898 9.94764
198 1W0J ADP 0.0001044 0.46415 9.94764
199 1W0J ADP BEF 0.0009344 0.43774 9.94764
200 2CK3 ANP 0.0009502 0.43743 9.94764
201 3RC3 ANP 0.004736 0.43234 9.94764
202 2CK3 ADP 0.0004876 0.4274 9.94764
203 2B8W ALF 5GP 0.00071 0.41583 9.94764
204 1F5N GNP 0.0005231 0.40739 9.94764
205 3IIJ ADP 0.00004689 0.52417 10
206 1NJF ADP 0.0004733 0.45042 10
207 1NJF AGS 0.0009022 0.44251 10
208 1NRJ GTP 0.000003391 0.53199 10.0917
209 1BO4 COA 0.01171 0.40855 10.119
210 3AB3 GDP 0.000001584 0.5595 10.1266
211 1ZCB GDP 0.000004089 0.55152 10.1266
212 3CX8 GSP 0.000002556 0.47752 10.1266
213 4XVU ATP 0.0002753 0.46695 10.1382
214 4XTR ADP 0.0002046 0.46605 10.1382
215 4XTR ATP 0.0002912 0.4659 10.1382
216 4WOP CTP 0.001389 0.43241 10.2222
217 3KJI ADP 0.0002351 0.45063 10.2362
218 5I0H ADP BEF 0.0008772 0.44102 10.443
219 1SVI GDP 0.000000002851 0.73981 10.4712
220 3U6B GDP 0.00000001261 0.70789 10.4712
221 3U6K GDP 0.00000001886 0.68775 10.4712
222 1D8T GDP 0.00000002204 0.68449 10.4712
223 4G5G GDP 0.00000002267 0.68389 10.4712
224 2BVN GNP 0.0000002872 0.60404 10.4712
225 4PC3 GDP 0.0000004822 0.59395 10.4712
226 2HCJ GDP 0.000000006371 0.58218 10.4712
227 5JBQ GDP 0.00000002616 0.57474 10.4712
228 1XKV ATP 0.0001935 0.48264 10.4712
229 4KBF AMP 0.001894 0.45204 10.4712
230 3ZS9 ADP ALF 0.0002607 0.41938 10.5263
231 3BFV ADP 0.0001652 0.49782 10.7011
232 2W58 ADP 0.000001846 0.6344 10.8911
233 1B7T ADP 0.000423 0.46704 10.8974
234 4YDS ATP 0.00003215 0.54754 10.9649
235 4KFU ACP 0.000006166 0.59042 10.9948
236 4R2I ANP 0.0007656 0.47765 10.9948
237 4XGU ADP 0.0005296 0.45283 10.9948
238 2Q2Y ADP 0.002337 0.44717 10.9948
239 2Q2Y MKR 0.002298 0.44639 10.9948
240 2Y65 ADP 0.000003576 0.44628 10.9948
241 3T12 GDP ALF 0.00000395 0.51943 11.0294
242 1KK8 BEF ADP 0.0003253 0.46212 11.039
243 5BQ5 ADP BEF 0.0002129 0.48073 11.1111
244 2PL3 ADP 0.0005474 0.47869 11.4407
245 2GK6 ADP 0.0008162 0.47624 11.5183
246 2Z5F A3P 0.00341 0.40757 11.5183
247 3MWL 8OX 0.01993 0.40559 11.5942
248 4IDN GNP 0.0006136 0.4301 11.7089
249 4DCT GDP 0.000000004506 0.70615 12.0419
250 3VMF GTP 0.0000007567 0.58386 12.0419
251 3WXM GTP 0.0000008334 0.58201 12.0419
252 1TQ4 GDP 0.0000002347 0.57871 12.0419
253 4TTQ ATP 0.0002131 0.49249 12.0419
254 3VX3 ADP 0.0001261 0.47508 12.0419
255 4ZG4 VO4 ADP 0.0004086 0.45946 12.0419
256 1OFH ADP 0.0003897 0.43546 12.069
257 4QM7 GTP 0.00008549 0.5116 12.2807
258 2FNA ADP 0.0004241 0.43634 12.3418
259 2D7D ADP 0.001296 0.40253 12.3418
260 4KAX GTP 0.000001013 0.57064 12.4224
261 2NCD ADP 0.000009138 0.58221 12.5654
262 1RRC ADP 0.00001556 0.42254 12.5654
263 1T5C ADP 0.000001576 0.63364 12.9747
264 4CVN ADP 0.00001311 0.56732 13.089
265 5IRR GSP 0.000003749 0.51806 13.089
266 1AZT GSP 0.000002556 0.47623 13.089
267 1CS4 GSP 0.00000485 0.47572 13.089
268 4WZA ACP 0.001902 0.46778 13.089
269 4WZA ADP 0.002456 0.46237 13.089
270 3KTA AP5 0.001181 0.44194 13.1868
271 4ZKD GDP 0.0000004914 0.59455 13.2911
272 3PQC GDP 0.000000009765 0.67985 13.6126
273 1Z6T ADP 0.0001883 0.47254 13.6126
274 3H86 AP5 0.004212 0.42958 13.6126
275 2V7Q ATP 0.00005856 0.50646 13.6364
276 2V7Q ADP 0.0001738 0.49676 13.6364
277 5X40 ACP 0.001995 0.42937 13.6986
278 5EE5 GTP 0.0000004041 0.58798 14.0351
279 3H4S ADP 0.000002577 0.44845 14.0741
280 2HF9 GSP 0.000001705 0.56214 14.1361
281 1JJV ATP 0.00007741 0.53392 14.1361
282 1WDT GTP 0.00002013 0.50928 14.1361
283 2C9O ADP 0.001035 0.42785 14.1361
284 1FQJ GDP 0.000002833 0.51559 14.2857
285 1FQJ ALF 0.02351 0.40453 14.2857
286 1KSH GDP 0.00000006032 0.62078 14.5161
287 5HCN GCP 0.00000005277 0.65593 14.557
288 3DOE GTP 0.0000002724 0.55294 14.5833
289 4B47 GDP 0.000000006354 0.72261 14.6597
290 1H65 GDP 0.000004484 0.51609 14.6597
291 5TSH ANP 0.00003947 0.45426 14.6597
292 5TSH ADP 0.00003665 0.42875 14.6597
293 1CR1 TTP 0.001851 0.42702 14.6597
294 1B0U ATP 0.001046 0.4443 14.8855
295 1G7S GDP 0.0000001574 0.63361 15.1832
296 1PUJ GNP 0.0000003064 0.60278 15.1832
297 5FG3 GDP 0.000000003817 0.58853 15.1832
298 5N69 ADP 0.0002986 0.46873 15.1832
299 1P9B GDP 0.003049 0.41947 15.1832
300 1ZD9 GDP 0.000000036 0.62718 15.4255
301 1NY5 ADP 0.0009966 0.44079 15.5063
302 2RCN GDP 0.0000000008794 0.75188 15.7068
303 1YRB GDP 0.00000003889 0.64299 15.7068
304 3DEF GDP 0.000002307 0.56346 15.7068
305 1FNN ADP 0.0003968 0.45371 15.7068
306 4TMZ GSP 0.0000001106 0.56711 16.2304
307 4NCN GTP 0.0000001132 0.56667 16.2304
308 3TBK ANP 0.0006195 0.48232 16.2304
309 4LJ9 ACP 0.002555 0.4405 16.2304
310 4FCW ADP 0.001232 0.40986 16.2304
311 1UKZ ADP 0.007592 0.41666 16.2562
312 2FH5 GTP 0.00000002137 0.62168 16.3551
313 5G41 AP5 0.009014 0.42461 16.5919
314 5M04 GDP 0.00000008993 0.54625 16.7539
315 3ZIA ATP 0.00008092 0.50619 16.7539
316 3ZIA ADP 0.00009067 0.49195 16.7539
317 4P3Y GDP 0.00000001838 0.56856 17.033
318 2X77 GDP 0.00000001229 0.68567 17.4603
319 2WJH GDP 0.00000007575 0.57186 17.4699
320 2WJH FLC 0.00001823 0.48757 17.4699
321 5KDO GDP 0.000005738 0.52218 17.5676
322 1MR3 G3D 0.0000003284 0.54651 17.6796
323 1MKY GDP 0.000000002915 0.72681 17.801
324 2FAH GDP 0.0004897 0.4591 17.801
325 4MKG AP5 0.005346 0.43043 17.801
326 2J5V PCA 0.04131 0.40537 17.801
327 1GOT GDP 0.000006108 0.51216 17.8082
328 4M9Q GNP 0.0000005731 0.55112 18.3246
329 4YS0 ADP 0.001248 0.4365 18.3246
330 3AQ4 GDP 0.0000002659 0.62292 18.4783
331 2C77 GNP 0.0000005748 0.56283 18.8482
332 2CHG ANP 0.0007235 0.44689 19.3717
333 3QKT ANP 0.00147 0.40192 19.3717
334 2VWA PTY 0.04567 0.40358 19.802
335 2CBZ ATP 0.000006295 0.60084 19.8953
336 4BAS GNP 0.00000341 0.54775 19.8953
337 2VVG ADP 0.000000925 0.44687 20.4188
338 5DI3 GNP 0.0000005322 0.55296 20.5405
339 1Y63 ADP 0.00007293 0.51493 20.6522
340 2W83 GTP 0.0000009508 0.53281 20.7792
341 1AQU A3P 0.002853 0.412 21.8855
342 1JWY GDP 0.00000723 0.54121 21.9895
343 1JWY ADP 0.0001776 0.49014 21.9895
344 3ZFD ANP 0.0001151 0.45424 21.9895
345 3QF7 ANP 0.002172 0.42201 22
346 1ZJ6 G3D 0.000000205 0.62823 22.5131
347 2KIN ADP 0.0000005787 0.45111 23
348 5KSZ GCP 0.0000001381 0.62705 24.6073
349 5KSP GDP 0.00000002468 0.67144 24.7368
350 5KUT GDP 0.00000001594 0.59421 24.8677
351 1J2J GTP 0.000000219 0.55556 26.506
352 2J59 GTP 0.0000007514 0.53636 26.506
353 1O3Y GTP 0.000001197 0.52921 26.506
354 4YLG GDP 0.0000002226 0.58365 26.5896
355 1UPT GTP 0.0000009427 0.54212 26.6667
356 1S9D GDP 0.0000003848 0.61537 26.8293
357 1RE0 GDP 0.00000006364 0.55232 26.8293
358 2QN6 GDP 0.000000005526 0.72561 26.8817
359 2VOH CIT 0.01725 0.4011 26.9231
360 1NME 159 0.02221 0.40757 27.1739
361 1W7J ADP BEF 0.0002436 0.46763 27.8146
362 2GJ8 ALF GDP 0.000001088 0.50452 27.907
363 4V0K GDP 0.000002344 0.50635 28.9941
364 3Q72 GNP 0.0000000004133 0.62002 30.1205
365 1Z06 GNP 0.000000006652 0.59982 31.2169
366 3IO3 ADP 0.0003475 0.45618 31.6456
367 1OIX GDP 0.00000001135 0.66438 31.9372
368 1M2O GNP 0.0000003135 0.60075 32.1053
369 1OIV GDP 0.00000001217 0.66303 32.4607
370 2F9L GDP 0.00000001912 0.59454 32.9843
371 1R4A GNP 0.0000003848 0.53655 33.3333
372 2A5F GTP 0.000001878 0.51181 34.2857
373 1F6B GDP 0.000001083 0.59425 34.555
374 5JCZ GDP 0.00000002607 0.63319 34.6369
375 3E5H GNP 0.0000001315 0.54225 34.8315
376 4LX0 BEF GDP 0.00000001261 0.66512 35.0282
377 3GJ4 GDP 0.000000003226 0.72469 35.0785
378 3GJ7 GDP 0.000000003337 0.72398 35.0785
379 3GJ8 GDP 0.000000008038 0.69434 35.0785
380 3GJ5 GDP 0.000000009674 0.69055 35.0785
381 3WYF GTP 0.00000003421 0.64847 35.0785
382 3M1I GTP 0.00000003155 0.64745 35.0785
383 3GJX GTP 0.0000000383 0.64372 35.0785
384 1GXU 2HP 0.0004878 0.47262 35.1648
385 4ZI2 GNP 0.0000002976 0.59375 35.2632
386 4GOJ GNP 0.0000003014 0.59351 35.4497
387 2HV8 GTP 0.000000007968 0.67116 35.4651
388 3GJ0 GDP 0.000000002897 0.72694 35.6021
389 3GJ3 GDP 0.000000004452 0.71795 35.6021
390 3CH5 GDP 0.000000009863 0.69016 35.6021
391 5UWU GNP 0.00000001677 0.65963 35.6021
392 5UWP GNP 0.00000002049 0.65839 35.6021
393 5UWI GNP 0.00000002025 0.65599 35.6021
394 1VG0 GDP 0.000000001998 0.65486 35.6021
395 5UWR GNP 0.00000002253 0.65394 35.6021
396 5UWT GNP 0.00000002375 0.65292 35.6021
397 5DI9 GNP 0.00000002864 0.6519 35.6021
398 1VG8 GNP 0.00000002533 0.65168 35.6021
399 5BXQ GDP 0.000000003324 0.61843 35.6021
400 5DIF GNP 0.0000000165 0.56308 35.6021
401 5UWW GNP 0.00000001763 0.56212 35.6021
402 1IBR GNP 0.00000001844 0.56175 35.6021
403 5UWO GNP 0.00000001813 0.56168 35.6021
404 5UWQ GNP 0.0000000203 0.56029 35.6021
405 5UWJ GNP 0.00000002102 0.55975 35.6021
406 5DHF GNP 0.0000000223 0.55923 35.6021
407 5UWH GNP 0.00000002353 0.5584 35.6021
408 4HAT GNP 0.00000002473 0.54768 35.6021
409 5UWS GNP 0.00000002633 0.54662 35.6021
410 3PCR GTP 0.000001092 0.52994 35.8025
411 4C4P GNP 0.00000001267 0.66503 35.8382
412 2G77 GDP 0.000000001824 0.69242 36.1257
413 2G77 AF3 0.01271 0.41977 36.1257
414 1YZG GDP 0.0000002767 0.62211 36.3129
415 2D7C GTP 0.00000001652 0.57416 36.5269
416 2QTV GNP 0.000001506 0.56827 36.5269
417 1VG9 GDP 0.0000000003531 0.65533 36.7568
418 1VG1 GDP 0.000000001659 0.63146 36.7568
419 3WYG GTP 0.00000009091 0.52967 36.8132
420 1FZQ GDP 0.00000005742 0.66445 37.0166
421 3N5C GDP 0.0000001671 0.6421 37.037
422 2ZEJ GDP 0.000004837 0.47808 38.587
423 1WA5 GTP 0.00000003066 0.51798 38.6364
424 1KAO GDP 0.000000004555 0.675 39.521
425 2A5J GDP 0.0000000004024 0.74342 39.7906
426 2CJW GDP 0.00000000142 0.74186 39.7906
427 3BC1 GNP 0.00000001418 0.57601 40.3141
428 1Z2A GDP 0.00000000942 0.60877 40.4762
429 3CPJ GDP 0.000000004162 0.64199 41.8848
430 2HT6 GDP 0.000000001212 0.60686 42.5287
431 3RWO GDP 0.000000009974 0.58151 42.7027
432 3TKL GTP 0.00000001107 0.59057 42.9319
433 1TU3 GNP 0.00000001617 0.57415 43.2749
434 2A9K GDP 0.0000000007078 0.68712 43.3155
435 1R2Q GNP 0.00000001971 0.49754 43.5294
436 1Z0K GTP 0.000000001888 0.63285 43.6047
437 2EFE GNH 0.0000000074 0.67531 43.6464
438 1Z0A GDP 0.000000001057 0.72418 43.6782
439 3Q85 GNP 0.000000002486 0.73014 43.787
440 2EW1 GNP 0.000000003489 0.68088 43.9791
441 5SZH GNP 0.00000001168 0.6666 43.9791
442 2BME GNP 0.000000001376 0.70483 44.086
443 4DSU GDP 0.00000001116 0.56689 44.4444
444 3SFV GDP 0.00000001086 0.65293 44.7514
445 1X1R GDP 0.000000002217 0.59161 44.9438
446 5UQW GDP 0.000000005879 0.67405 44.9735
447 1ZC3 GNP 0.000000007434 0.6753 45.7143
448 5TAR GDP 0.0000000005136 0.72727 45.9459
449 5TB5 GDP 0.0000000002526 0.67509 45.9459
450 2BCG GDP 0.000000002068 0.68043 46.0733
451 1UAD GNP 0.000000004177 0.59308 46.2857
452 4DKX GDP 0.0000000002484 0.77833 46.5969
453 5WDR GNP 0.000000002934 0.69321 46.7836
454 1Z0J GTP 0.00000002057 0.5594 47.0588
455 3RAB GNP 0.00000001018 0.66646 47.3373
456 1Z0F GDP 0.0000000002764 0.76313 47.486
457 3T5G GDP 0.0000000004844 0.6657 47.5138
458 1D5C GDP 0.000000004075 0.67712 47.5309
459 1YZN GNP 0.00000000804 0.57306 47.5676
460 1EK0 GNP 0.00000003469 0.56131 47.6471
461 1YVD GNP 0.00000001203 0.57763 47.929
462 4D0G GTP 0.000000002853 0.68143 48
463 3NKV GNP 0.000000005928 0.58793 48
464 4KVG GTP 0.00000001061 0.66566 48.2143
465 1G16 GDP 0.00000002222 0.60476 48.2353
466 3X1Z GNP 0.000000004843 0.68631 48.503
467 4HDQ GNP 0.000000006709 0.57594 48.503
468 4HDO GNP 0.000000006858 0.5749 48.503
469 1GUA GNP 0.000000006926 0.57431 48.503
470 2C5L GTP 0.00000001399 0.56444 48.5549
471 1XTQ GDP 0.000000005176 0.6734 48.5876
472 2Y8E GNP 0.00000002565 0.56702 48.6034
473 4K81 GTP 0.00000004931 0.5381 49.1228
474 3TNF GNP 0.000000009234 0.67381 49.4253
475 4LHW GNP 0.000000003969 0.59394 49.4253
476 3QBT GNP 0.000000005224 0.59088 49.4253
477 5XCO GDP 0.000000002541 0.65043 49.7076
478 1U8Z GDP 0.000000003246 0.62496 50
Pocket No.: 2; Query (leader) PDB : 4ITR; Ligand: GDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4itr.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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